#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:02:25 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298750 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/42/7134282.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7134282
loop_
_publ_author_name
'Wilson, Lucinda R. B.'
'Nichol, Gary S.'
'Dalgarno, Scott J.'
'Brechin, Euan K.'
_publ_section_title
;
 A [CuII24] truncated octahedron and its [CuII8] building block.
;
_journal_issue                   24
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4722
_journal_page_last               4725
_journal_paper_doi               10.1039/d5cc00532a
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety
'C123 H132 Cl3 Cu12 O24 S12, C123 H129 Cl3 Cu12 O24 S12, 2.25(O), 5(C3 H7 N O), 22[C3H7NO]'
_chemical_formula_sum            'C327 H450 Cl6 Cu24 N27 O77.25 S24'
_chemical_formula_weight         8502.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-02-19
_audit_creation_method
;
Olex2 1.5
(compiled 2024.01.12 svn.r2f8d729c for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-02-20 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                75.7320(10)
_cell_angle_beta                 84.1880(10)
_cell_angle_gamma                89.7150(10)
_cell_formula_units_Z            2
_cell_length_a                   22.2855(4)
_cell_length_b                   22.2953(3)
_cell_length_c                   40.7937(7)
_cell_measurement_reflns_used    9834
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.16
_cell_measurement_theta_min      3.79
_cell_volume                     19538.4(6)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.631
_diffrn_measured_fraction_theta_max 0.599
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_unetI/netI     0.3696
_diffrn_reflns_Laue_measured_fraction_full 0.631
_diffrn_reflns_Laue_measured_fraction_max 0.599
_diffrn_reflns_number            46213
_diffrn_reflns_point_group_measured_fraction_full 0.631
_diffrn_reflns_point_group_measured_fraction_max 0.599
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.239
_diffrn_reflns_theta_min         1.993
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1034 before and 0.0537 after correction.
 
For component 2:
 wR2(int) was 0.1436 before and 0.0627 after correction.
 The Ratio of minimum to maximum transmission is 0.70.

Final HKLF 4 output contains 517771 reflections, Rint = 0.0600
 (295061 with I > 3sig(I), Rint = 0.0463)
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       block
_exptl_crystal_F_000             8802
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.057
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3043
_refine_ls_number_reflns         46213
_refine_ls_number_restraints     1015
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.1452
_refine_ls_R_factor_gt           0.1017
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1786P)²+34.0364P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2993
_refine_ls_wR_factor_ref         0.3222
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27281
_reflns_number_total             46213
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc00532a2.cif
_cod_data_source_block           cu_8v00886_0m_4_a
_cod_depositor_comments
'Adding full bibliography for 7134282--7134283.cif.'
_cod_database_code               7134282
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.676
_shelx_estimated_absorpt_t_min   0.538
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O100-C302
 1.2 with sigma of 0.02
 O104-C314
 1.2 with sigma of 0.02
 N100-C300 = N100-C302 = N100-C301
 1.45 with sigma of 0.02
 N102-C307 = N102-C306 = N102-C308
 1.45 with sigma of 0.02
 C47-C45
 2.54 with sigma of 0.04
 C43-C44
 2.54 with sigma of 0.04
 C46-C47
 2.54 with sigma of 0.04
 C44-C42
 2.54 with sigma of 0.04
 C42-C43
 2.54 with sigma of 0.04
 C45-C46
 2.54 with sigma of 0.04
 C257-C256
 2.54 with sigma of 0.04
 C255-C256
 2.54 with sigma of 0.04
 C257-C255
 2.54 with sigma of 0.04
 C220-C219
 2.54 with sigma of 0.04
 C219-C221
 2.54 with sigma of 0.04
 C220-C221
 2.54 with sigma of 0.04
 C47-C45 \\sim C46-C45
 with sigma of 0.04
 C41-C44 \\sim C41-C42 \\sim C41-C47 \\sim C41-C43 \\sim C41-C46 \\sim C41-C45
\\sim C41-C21
 with sigma of 0.02
 C25-C3 \\sim C25-C26 \\sim C25-C27 \\sim C25-C28
 with sigma of 0.02
 C31-C32 \\sim C31-C30 \\sim C32-C30
 with sigma of 0.04
 C29-C3 \\sim C29-C31 \\sim C29-C32 \\sim C29-C30
 with sigma of 0.02
 C26-C27 \\sim C26-C28 \\sim C27-C28
 with sigma of 0.04
 C119-C117 \\sim C119-C118 \\sim C119-C96 \\sim C117-C118 \\sim C117-C96 \\sim
C118-C96
 with sigma of 0.04
 C116-C119 \\sim C116-C117 \\sim C116-C118 \\sim C116-C96
 with sigma of 0.02
 C108-C127 \\sim C108-C126 \\sim C108-C125 \\sim C127-C126 \\sim C127-C125
\\sim C126-C125
 with sigma of 0.04
 C124-C108 \\sim C124-C127 \\sim C124-C126 \\sim C124-C125
 with sigma of 0.02
 C266-C268 \\sim C266-C270 \\sim C266-C272 \\sim C266-C271 \\sim C266-C269
\\sim C266-C267 \\sim C266-
 C250
 with sigma of 0.02
 C268-C270 \\sim C270-C272 \\sim C271-C269 \\sim C271-C267 \\sim C269-C267
 with sigma of 0.04
 C221-C220 \\sim C221-C219 \\sim C221-C198 \\sim C219-C198
 with sigma of 0.04
 C218-C221 \\sim C218-C220 \\sim C218-C219 \\sim C218-C198
 with sigma of 0.02
 C300-C302 \\sim C302-C301
 with sigma of 0.02
3. Restrained planarity
 O102, N102, C306, C307, C308
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C24) = Uanis(C19) = Uanis(C20) = Uanis(C21) = Uanis(C22) = Uanis(C23)
Uanis(C241) = Uanis(C240) = Uanis(C236) = Uanis(C239) = Uanis(C237) =
Uanis(C238)
Uanis(O29) = Uanis(O28) = Uanis(O26) = Uanis(O27) = Uanis(O31) = Uanis(O30) =
Uanis(C130)
Uanis(O19) = Uanis(O18) = Uanis(O14) = Uanis(O15) = Uanis(C128) = Uanis(O17) =
Uanis(O16)
Uanis(O20) = Uanis(O21) = Uanis(O22) = Uanis(O23) = Uanis(C129) = Uanis(O24) =
Uanis(O25)
Uanis(C41) = Uanis(C44) = Uanis(C42) = Uanis(C47) = Uanis(C43) = Uanis(C46) =
Uanis(C45)
Uanis(C40) = Uanis(C37) = Uanis(C38) = Uanis(C39)
Uanis(C77) = Uanis(C78) = Uanis(C76) = Uanis(C79)
Uanis(C48) = Uanis(C50) = Uanis(C52) = Uanis(C49) = Uanis(C51) = Uanis(C53)
Uanis(O67) = Uanis(O66) = Uanis(C273) = Uanis(O64) = Uanis(O65) = Uanis(O63) =
Uanis(O62)
Uanis(O36) = Uanis(O38) = Uanis(O35) = Uanis(O34) = Uanis(O37)
Uanis(C76) = Uanis(C77) = Uanis(C78) = Uanis(C79)
Uanis(O32) = Uanis(O43) = Uanis(C131) = Uanis(O33) = Uanis(O13) = Uanis(O13A)
Uanis(C186) = Uanis(C189) = Uanis(C187) = Uanis(C188)
Uanis(C174) = Uanis(C175) = Uanis(C176) = Uanis(C177)
Uanis(C226) = Uanis(C227) = Uanis(C228) = Uanis(C229)
Uanis(C214) = Uanis(C216) = Uanis(C215) = Uanis(C217)
Uanis(C260) = Uanis(C258) = Uanis(C261) = Uanis(C259)
Uanis(C218) = Uanis(C221) = Uanis(C220) = Uanis(C219)
Uanis(O78) = Uanis(O77) = Uanis(O84) = Uanis(O76) = Uanis(O75) = Uanis(C275) =
Uanis(O74) = Uanis(O73)
Uanis(O71) = Uanis(O72) = Uanis(O85) = Uanis(C274) = Uanis(O68) = Uanis(O70) =
Uanis(O69)
Uanis(O79) = Uanis(C276) = Uanis(O80) = Uanis(O81) = Uanis(O82) = Uanis(O83) =
Uanis(O87)
Uanis(O85) = Uanis(O88) = Uanis(O84) = Uanis(O87) = Uanis(O86)
Uanis(C155) = Uanis(C150) = Uanis(C152) = Uanis(C154) = Uanis(C151) =
Uanis(C153)
Uanis(O57) = Uanis(O54) = Uanis(O55) = Uanis(O56)
Uanis(C12) = Uanis(C7) = Uanis(C11) = Uanis(C10) = Uanis(C9) = Uanis(C8)
Uanis(O52) = Uanis(C162) = Uanis(C163) = Uanis(C166) = Uanis(C167) =
Uanis(C165) = Uanis(C164)
5. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C7, C8, C9, C10, C11, C12
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C13, C14, C15, C16, C17, C18
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C54, C55, C56, C57, C58, C59
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O100, N100, C300, C301, C302
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C66, C67, C68, C69, C70, C71
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C60, C61, C62, C63, C64, C65
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C84, C85, C86, C87
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C88, C89, C90, C91, C92, C93
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C112, C113, C114, C115
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C94, C95, C96, C97, C98, C99
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C116, C117, C118, C119
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C124, C125, C126, C127
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O103, N103, C309, C310, C311
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O102, N102, C306, C307, C308
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C120, C121, C122, C123
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C162, C163, C164, C165, C166, C167
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C230, C231, C232, C233, C234, C235
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C190, C191, C192, C193, C194, C195, O38, O100, O101, N100, N101, C300, C301,
 C302, C303, C304, C305, O36, O34, O37, O35
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C156, C157, C158, C159, C160, C161
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C182, C183, C184, C185
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C266, C268, C270, C272, C267, C269, C271
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C254, C255, C256, C257
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C262, C263, C264, C265
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C248, C249, C250, C251, C252, C253
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C168, C169, C170, C171, C172, C173
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C196, C197, C198, C199, C200, C201
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O57, C208, C209, C210, C211, C212, C213
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O104, N104, C312, C313, C314
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C29, C30, C31, C32, C25, C26, C27, C28
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C262, C263, C264, C265
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
6. Others
 Fixed Sof: O63(0.75) O64(0.75) O66(0.75) O70(0.25) O72(0.25) O73(0.25)
 O76(0.25) O78(0.25) O83(0.25) O87(0.25) C268(0.5) H26S(0.5) H26T(0.5)
 H26U(0.5) C270(0.5) H27D(0.5) H27E(0.5) H27F(0.5) C272(0.5) H27G(0.5)
 H27H(0.5) H27I(0.5) C273(0.75) O62(0.25) O67(0.25) O69(0.75) O71(0.75)
 O74(0.75) O75(0.75) O77(0.75) O80(0.75) O82(0.75) C267(0.5) H26V(0.5)
 H26W(0.5) H26X(0.5) C269(0.5) H26Y(0.5) H(0.5) HA(0.5) C271(0.5) H27J(0.5)
 H27K(0.5) H27L(0.5) C274(0.75) C275(0.75) C276(0.75) O38(0.125) O88(0.125)
 O13(0.75) O14(0.25) O17(0.25) O19(0.25) O20(0.25) O23(0.25) O25(0.25)
 O27(0.75) O28(0.75) O30(0.75) O32(0.75) O36(0.25) O81(0.25) O84(0.25)
 O85(0.25) C29(0.5) C30(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C31(0.5) H31A(0.5)
 H31B(0.5) H31C(0.5) C32(0.5) H32A(0.5) H32B(0.5) H32C(0.5) C42(0.5) H42A(0.5)
 H42B(0.5) H42C(0.5) C43(0.5) H43A(0.5) H43B(0.5) H43C(0.5) C44(0.5) H44A(0.5)
 H44B(0.5) H44C(0.5) C130(0.75) C131(0.75) O13A(0.25) O15(0.75) O16(0.75)
 O18(0.75) O21(0.75) O22(0.75) O24(0.75) O26(0.25) O29(0.25) O31(0.25)
 O34(0.25) O37(0.25) O43(0.25) O65(0.25) O86(0.25) C25(0.5) C26(0.5) H26A(0.5)
 H26B(0.5) H26C(0.5) C27(0.5) H27A(0.5) H27B(0.5) H27C(0.5) C28(0.5) H28A(0.5)
 H28B(0.5) H28C(0.5) C45(0.5) H45A(0.5) H45B(0.5) H45C(0.5) C46(0.5) H46A(0.5)
 H46B(0.5) H46C(0.5) C47(0.5) H47A(0.5) H47B(0.5) H47C(0.5) C128(0.75)
 C129(0.75) O35(0.25)
7.a Me refined with riding coordinates:
 C268(H26S,H26T,H26U), C270(H27D,H27E,H27F), C272(H27G,H27H,H27I), C267(H26V,
 H26W,H26X), C269(H26Y,H,HA), C271(H27J,H27K,H27L), C30(H30A,H30B,H30C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C42(H42A,H42B,H42C), C43(H43A,H43B,
 H43C), C44(H44A,H44B,H44C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C)
7.b Aromatic/amide H refined with riding coordinates:
 C151(H151), C153(H153), C157(H157), C159(H159), C163(H163), C165(H165),
 C169(H169), C171(H171), C191(H191), C193(H193), C197(H197), C199(H199),
 C203(H203), C205(H205), C209(H209), C211(H211), C231(H231), C233(H233),
 C237(H237), C239(H239), C243(H243), C245(H245), C249(H249), C251(H251), C2(H2),
  C4(H4), C8(H8), C10(H10), C14(H14), C16(H16), C20(H20), C22(H22), C49(H49),
 C51(H51), C55(H55), C57(H57), C61(H61), C63(H63), C67(H67), C69(H69), C89(H89),
  C91(H91), C95(H95), C97(H97), C101(H101), C103(H103), C107(H107), C109(H109),
 C302(H302), C305(H305), C308(H308), C311(H311), C314(H314)
7.c Idealised Me refined as rotating group:
 C175(H17A,H17B,H17C), C176(H17D,H17E,H17F), C177(H17G,H17H,H17I), C179(H17J,
 H17K,H17L), C180(H18A,H18B,H18C), C181(H18D,H18E,H18F), C183(H18G,H18H,H18I),
 C184(H18J,H18K,H18L), C185(H18M,H18N,H18O), C187(H18P,H18Q,H18R), C188(H18S,
 H18T,H18U), C189(H18V,H18W,H18X), C215(H21A,H21B,H21C), C216(H21D,H21E,H21F),
 C217(H21G,H21H,H21I), C219(H21J,H21K,H21L), C220(H22A,H22B,H22C), C221(H22D,
 H22E,H22F), C223(H22G,H22H,H22I), C224(H22J,H22K,H22L), C225(H22M,H22N,H22O),
 C227(H22P,H22Q,H22R), C228(H22S,H22T,H22U), C229(H22V,H22W,H22X), C256(H25A,
 H25B,H25C), C257(H25D,H25E,H25F), C259(H25G,H25H,H25I), C260(H26D,H26E,H26F),
 C261(H26G,H26H,H26I), C263(H26J,H26K,H26L), C264(H26M,H26N,H26O), C265(H26P,
 H26Q,H26R), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C),
 C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C73(H73A,H73B,
 H73C), C74(H74A,H74B,H74C), C75(H75A,H75B,H75C), C81(H81A,H81B,H81C), C82(H82A,
 H82B,H82C), C83(H83A,H83B,H83C), C85(H85A,H85B,H85C), C86(H86A,H86B,H86C),
 C87(H87A,H87B,H87C), C113(H11A,H11B,H11C), C114(H11D,H11E,H11F), C115(H11G,
 H11H,H11I), C117(H11J,H11K,H11L), C118(H11M,H11N,H11O), C119(H11P,H11Q,H11R),
 C121(H12A,H12B,H12C), C122(H12D,H12E,H12F), C123(H12G,H12H,H12I), C125(H12J,
 H12K,H12L), C126(H12M,H12N,H12O), C127(H12P,H12Q,H12R), C300(H30D,H30E,H30F),
 C301(H30G,H30H,H30I), C303(H30J,H30K,H30L), C304(H30M,H30N,H30O), C306(H30P,
 H30Q,H30R), C307(H30S,H30T,H30U), C309(H30V,H30W,H30X), C310(H31D,H31E,H31F),
 C312(H31G,H31H,H31I), C313(H31J,H31K,H31L), C78(H78A,H78B,H78C), C79(H79A,H79B,
 H79C), C77(H77A,H77B,H77C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.18910(7) 0.39735(5) 0.46919(4) 0.0302(4) Uani 1 1 d . . . . .
Cu2 Cu 0.22204(7) 0.53119(5) 0.48143(4) 0.0287(4) Uani 1 1 d . . . . .
Cu3 Cu 0.16391(7) 0.59768(5) 0.41285(4) 0.0289(4) Uani 1 1 d . . . . .
Cu4 Cu -0.02273(7) 0.27109(5) 0.51622(4) 0.0298(4) Uani 1 1 d . . . . .
Cu5 Cu -0.06694(7) 0.30782(5) 0.58668(4) 0.0291(4) Uani 1 1 d . . . . .
Cu6 Cu 0.07008(7) 0.34098(5) 0.59530(4) 0.0311(4) Uani 1 1 d . . . . .
Cu7 Cu 0.11568(7) 0.30504(5) 0.52451(4) 0.0291(4) Uani 1 1 d . . . . .
Cu8 Cu -0.00402(7) 0.56750(6) 0.60857(4) 0.0330(4) Uani 1 1 d . . . . .
Cu9 Cu 0.07601(7) 0.66604(5) 0.54820(4) 0.0305(4) Uani 1 1 d . . . . .
Cu10 Cu 0.17984(7) 0.56490(5) 0.54686(4) 0.0285(4) Uani 1 1 d . . . . .
Cu11 Cu 0.10076(7) 0.46542(5) 0.60694(4) 0.0311(4) Uani 1 1 d . . . . .
Cu12 Cu -0.13182(7) 0.53503(6) 0.60057(4) 0.0315(4) Uani 1 1 d . . . . .
Cu13 Cu 0.51388(6) 0.22863(5) 0.98039(4) 0.0259(4) Uani 1 1 d . . . . .
Cu14 Cu 0.59852(6) 0.18609(5) 0.92118(4) 0.0275(4) Uani 1 1 d . . . . .
Cu15 Cu 0.33323(7) 0.08940(5) 1.06367(4) 0.0309(4) Uani 1 1 d . . . . .
Cu16 Cu 0.27487(6) 0.00964(5) 1.01741(4) 0.0317(4) Uani 1 1 d . . . . .
Cu17 Cu 0.32378(7) 0.11163(5) 0.94814(4) 0.0298(4) Uani 1 1 d . . . . .
Cu18 Cu 0.38199(6) 0.19165(5) 0.99447(4) 0.0288(4) Uani 1 1 d . . . . .
Cu19 Cu 0.58141(7) -0.03130(6) 0.88569(4) 0.0328(4) Uani 1 1 d . . . . .
Cu20 Cu 0.54377(7) 0.11172(5) 0.87911(4) 0.0284(4) Uani 1 1 d . . . . .
Cu21 Cu 0.40159(7) 0.07205(5) 0.89300(4) 0.0321(4) Uani 1 1 d . . . . .
Cu22 Cu 0.43887(7) -0.07090(5) 0.90068(4) 0.0343(4) Uani 1 1 d . . . . .
Cu23 Cu 0.39417(7) -0.16576(5) 0.96473(4) 0.0327(4) Uani 1 1 d . . . . .
Cu24 Cu 0.30943(7) -0.12410(5) 1.02447(4) 0.0320(4) Uani 1 1 d . . . . .
Cl4 Cl 0.42965(12) -0.12051(9) 1.01470(7) 0.0362(7) Uani 1 1 d . . . . .
Cl5 Cl 0.38167(12) 0.06827(9) 1.00381(8) 0.0384(7) Uani 1 1 d . . . . .
Cl6 Cl 0.49425(12) 0.01422(9) 0.92425(8) 0.0412(7) Uani 1 1 d . . . . .
S13 S 0.65629(13) 0.24172(9) 1.06423(8) 0.0399(7) Uani 1 1 d . . . . .
S14 S 0.50045(11) 0.34768(8) 0.97034(7) 0.0306(6) Uani 1 1 d . . . . .
S15 S 0.64544(11) 0.27391(9) 0.86909(7) 0.0304(6) Uani 1 1 d . . . . .
S16 S 0.80107(11) 0.16750(9) 0.96392(8) 0.0339(7) Uani 1 1 d . . . . .
S17 S 0.25917(12) 0.12816(9) 1.10726(7) 0.0334(6) Uani 1 1 d . . . . .
S18 S 0.15794(11) -0.00631(9) 1.02872(7) 0.0337(7) Uani 1 1 d . . . . .
S19 S 0.24192(11) 0.16890(8) 0.91135(7) 0.0305(6) Uani 1 1 d . . . . .
S20 S 0.34269(11) 0.30312(8) 0.99001(7) 0.0305(6) Uani 1 1 d . . . . .
S21 S 0.63772(13) -0.05507(10) 0.83161(8) 0.0385(7) Uani 1 1 d . . . . .
S22 S 0.57563(12) 0.18832(9) 0.82078(7) 0.0338(6) Uani 1 1 d . . . . .
S23 S 0.33400(12) 0.11749(9) 0.84443(8) 0.0349(7) Uani 1 1 d . . . . .
S24 S 0.39772(13) -0.12666(10) 0.85833(8) 0.0392(7) Uani 1 1 d . . . . .
O50 O 0.6848(3) 0.1781(2) 1.00685(19) 0.0254(16) Uani 1 1 d . . . . .
O51 O 0.5709(3) 0.2434(2) 1.0101(2) 0.0309(18) Uani 1 1 d . . . . .
O52 O 0.5705(3) 0.2575(2) 0.93707(19) 0.0298(9) Uani 1 1 d . . . . .
O53 O 0.6793(3) 0.1922(2) 0.93560(18) 0.0234(15) Uani 1 1 d . . . . .
O54 O 0.3264(3) 0.1743(2) 1.03566(18) 0.0267(8) Uani 1 1 d . . . . .
O55 O 0.2576(3) 0.0612(2) 1.05075(18) 0.0267(8) Uani 1 1 d . . . . .
O56 O 0.2528(3) 0.0718(2) 0.97691(18) 0.0267(8) Uani 1 1 d . . . . .
O57 O 0.3202(3) 0.1899(2) 0.96347(18) 0.0267(8) Uani 1 1 d . U . . .
O58 O 0.5133(3) -0.0665(2) 0.86882(19) 0.0290(17) Uani 1 1 d . . . . .
O59 O 0.5787(3) 0.0520(2) 0.8539(2) 0.0342(19) Uani 1 1 d . . . . .
O60 O 0.4653(3) 0.1171(2) 0.86003(18) 0.0279(17) Uani 1 1 d . . . . .
O61 O 0.4021(3) 0.0014(2) 0.87127(19) 0.0274(17) Uani 1 1 d . . . . .
O79 O 0.4717(4) -0.1384(3) 0.9357(2) 0.0413(14) Uani 1 1 d . . . . .
C150 C 0.7890(5) 0.2107(4) 0.9949(3) 0.0429(13) Uani 1 1 d . . . . .
C151 C 0.8363(5) 0.2433(4) 1.0045(3) 0.0429(13) Uani 1 1 d . . . . .
H151 H 0.8752 0.2423 0.9928 0.052 Uiso 1 1 calc R U . . .
C152 C 0.8315(5) 0.2746(4) 1.0280(3) 0.0429(13) Uani 1 1 d . . . . .
C153 C 0.7742(5) 0.2732(4) 1.0460(3) 0.0429(13) Uani 1 1 d . . . . .
H153 H 0.7686 0.2957 1.0630 0.052 Uiso 1 1 calc R U . . .
C154 C 0.7250(5) 0.2402(4) 1.0400(3) 0.0429(13) Uani 1 1 d . . . . .
C155 C 0.7315(5) 0.2081(4) 1.0145(4) 0.0429(13) Uani 1 1 d . . . . .
C156 C 0.6215(5) 0.3087(4) 1.0391(3) 0.030(2) Uani 1 1 d . U . . .
C157 C 0.6370(4) 0.3668(4) 1.0422(3) 0.0271(19) Uani 1 1 d . U . . .
H157 H 0.6649 0.3706 1.0578 0.033 Uiso 1 1 calc R U . . .
C158 C 0.6124(4) 0.4203(4) 1.0229(3) 0.028(2) Uani 1 1 d . U . . .
C159 C 0.5708(5) 0.4124(4) 1.0007(3) 0.037(2) Uani 1 1 d . U . . .
H159 H 0.5529 0.4478 0.9876 0.044 Uiso 1 1 calc R U . . .
C160 C 0.5547(4) 0.3529(3) 0.9972(3) 0.028(2) Uani 1 1 d . U . . .
C161 C 0.5831(5) 0.2998(3) 1.0159(3) 0.031(2) Uani 1 1 d . U . . .
C162 C 0.5440(5) 0.3641(3) 0.9302(3) 0.0298(9) Uani 1 1 d . U . . .
C163 C 0.5524(5) 0.4254(4) 0.9096(3) 0.0298(9) Uani 1 1 d . U . . .
H163 H 0.5346 0.4579 0.9183 0.036 Uiso 1 1 calc R U . . .
C164 C 0.5835(5) 0.4407(3) 0.8787(3) 0.0298(9) Uani 1 1 d . U . . .
C165 C 0.6133(5) 0.3940(3) 0.8682(3) 0.0298(9) Uani 1 1 d . U . . .
H165 H 0.6382 0.4032 0.8473 0.036 Uiso 1 1 calc R U . . .
C166 C 0.6076(5) 0.3319(3) 0.8881(3) 0.0298(9) Uani 1 1 d . U . . .
C167 C 0.5729(5) 0.3151(4) 0.9195(3) 0.0298(9) Uani 1 1 d . U . . .
C168 C 0.7168(5) 0.2672(3) 0.8840(3) 0.037(2) Uani 1 1 d . U . . .
C169 C 0.7648(5) 0.3013(4) 0.8652(3) 0.043(2) Uani 1 1 d . U . . .
H169 H 0.7568 0.3312 0.8452 0.051 Uiso 1 1 calc R U . . .
C170 C 0.8251(6) 0.2959(5) 0.8729(4) 0.047(3) Uani 1 1 d . U . . .
C171 C 0.8320(6) 0.2551(5) 0.9062(4) 0.054(3) Uani 1 1 d . U . . .
H171 H 0.8703 0.2525 0.9147 0.065 Uiso 1 1 calc R U . . .
C172 C 0.7859(5) 0.2214(4) 0.9248(3) 0.045(3) Uani 1 1 d . U . . .
C173 C 0.7263(5) 0.2254(3) 0.9155(3) 0.035(2) Uani 1 1 d . U . . .
C174 C 0.8860(9) 0.3056(9) 1.0417(6) 0.092(3) Uani 1 1 d . . . . .
C175 C 0.9375(8) 0.3166(8) 1.0101(5) 0.092(3) Uani 1 1 d . . . . .
H17A H 0.9631 0.2802 1.0125 0.139 Uiso 1 1 calc R U . . .
H17B H 0.9622 0.3531 1.0097 0.139 Uiso 1 1 calc R U . . .
H17C H 0.9186 0.3231 0.9889 0.139 Uiso 1 1 calc R U . . .
C176 C 0.9042(8) 0.2724(8) 1.0746(5) 0.092(3) Uani 1 1 d . . . . .
H17D H 0.8707 0.2711 1.0923 0.139 Uiso 1 1 calc R U . . .
H17E H 0.9391 0.2936 1.0797 0.139 Uiso 1 1 calc R U . . .
H17F H 0.9149 0.2301 1.0738 0.139 Uiso 1 1 calc R U . . .
C177 C 0.8661(8) 0.3755(8) 1.0400(5) 0.092(3) Uani 1 1 d . . . . .
H17G H 0.8449 0.3912 1.0198 0.139 Uiso 1 1 calc R U . . .
H17H H 0.9020 0.4016 1.0387 0.139 Uiso 1 1 calc R U . . .
H17I H 0.8393 0.3765 1.0604 0.139 Uiso 1 1 calc R U . . .
C178 C 0.6328(6) 0.4857(4) 1.0250(4) 0.052(4) Uani 1 1 d . . . . .
C179 C 0.7041(7) 0.4869(4) 1.0208(4) 0.068(5) Uani 1 1 d . . . . .
H17J H 0.7190 0.5027 1.0389 0.102 Uiso 1 1 calc R U . . .
H17K H 0.7189 0.5138 0.9986 0.102 Uiso 1 1 calc R U . . .
H17L H 0.7187 0.4448 1.0223 0.102 Uiso 1 1 calc R U . . .
C180 C 0.6109(9) 0.4954(5) 1.0592(4) 0.080(6) Uani 1 1 d . . . . .
H18A H 0.6392 0.4771 1.0756 0.121 Uiso 1 1 calc R U . . .
H18B H 0.5710 0.4755 1.0667 0.121 Uiso 1 1 calc R U . . .
H18C H 0.6080 0.5398 1.0577 0.121 Uiso 1 1 calc R U . . .
C181 C 0.6103(6) 0.5340(5) 0.9979(5) 0.071(5) Uani 1 1 d . . . . .
H18D H 0.6314 0.5733 0.9962 0.107 Uiso 1 1 calc R U . . .
H18E H 0.5669 0.5388 1.0032 0.107 Uiso 1 1 calc R U . . .
H18F H 0.6175 0.5223 0.9762 0.107 Uiso 1 1 calc R U . . .
C182 C 0.5886(9) 0.5091(5) 0.8595(5) 0.093(4) Uani 1 1 d . U . . .
C183 C 0.6188(9) 0.5470(5) 0.8789(5) 0.095(4) Uani 1 1 d . U . . .
H18G H 0.6310 0.5874 0.8638 0.143 Uiso 1 1 calc R U . . .
H18H H 0.6545 0.5256 0.8878 0.143 Uiso 1 1 calc R U . . .
H18I H 0.5906 0.5529 0.8979 0.143 Uiso 1 1 calc R U . . .
C184 C 0.5317(9) 0.5344(5) 0.8495(5) 0.098(4) Uani 1 1 d . U . . .
H18J H 0.5075 0.5430 0.8692 0.147 Uiso 1 1 calc R U . . .
H18K H 0.5100 0.5045 0.8407 0.147 Uiso 1 1 calc R U . . .
H18L H 0.5390 0.5728 0.8317 0.147 Uiso 1 1 calc R U . . .
C185 C 0.6315(10) 0.5188(7) 0.8291(5) 0.107(4) Uani 1 1 d . U . . .
H18M H 0.6185 0.5533 0.8115 0.160 Uiso 1 1 calc R U . . .
H18N H 0.6333 0.4811 0.8208 0.160 Uiso 1 1 calc R U . . .
H18O H 0.6715 0.5283 0.8347 0.160 Uiso 1 1 calc R U . . .
C186 C 0.8786(7) 0.3282(8) 0.8508(5) 0.081(3) Uani 1 1 d . . . . .
C187 C 0.8600(7) 0.3782(7) 0.8205(5) 0.081(3) Uani 1 1 d . . . . .
H18P H 0.8937 0.4076 0.8113 0.121 Uiso 1 1 calc R U . . .
H18Q H 0.8252 0.4003 0.8280 0.121 Uiso 1 1 calc R U . . .
H18R H 0.8491 0.3587 0.8028 0.121 Uiso 1 1 calc R U . . .
C188 C 0.9126(7) 0.2809(7) 0.8386(5) 0.081(3) Uani 1 1 d . . . . .
H18S H 0.8889 0.2643 0.8238 0.121 Uiso 1 1 calc R U . . .
H18T H 0.9214 0.2474 0.8580 0.121 Uiso 1 1 calc R U . . .
H18U H 0.9506 0.2990 0.8259 0.121 Uiso 1 1 calc R U . . .
C189 C 0.9206(7) 0.3576(7) 0.8706(5) 0.081(3) Uani 1 1 d . . . . .
H18V H 0.9411 0.3942 0.8552 0.121 Uiso 1 1 calc R U . . .
H18W H 0.9506 0.3275 0.8797 0.121 Uiso 1 1 calc R U . . .
H18X H 0.8967 0.3697 0.8893 0.121 Uiso 1 1 calc R U . . .
C190 C 0.2965(5) 0.2805(4) 1.0298(3) 0.042(2) Uani 1 1 d . U . . .
C191 C 0.2658(5) 0.3252(4) 1.0423(3) 0.038(2) Uani 1 1 d . U . . .
H191 H 0.2674 0.3667 1.0290 0.046 Uiso 1 1 calc R U . . .
C192 C 0.2336(6) 0.3113(4) 1.0728(4) 0.045(3) Uani 1 1 d . U . . .
C193 C 0.2286(5) 0.2502(4) 1.0925(3) 0.038(2) Uani 1 1 d . U . . .
H193 H 0.2034 0.2400 1.1134 0.046 Uiso 1 1 calc R U . . .
C194 C 0.2606(5) 0.2050(4) 1.0812(3) 0.038(2) Uani 1 1 d . U . . .
C195 C 0.2951(5) 0.2184(4) 1.0481(3) 0.0314(19) Uani 1 1 d . U . . .
C196 C 0.1963(5) 0.0924(3) 1.0936(3) 0.036(2) Uani 1 1 d . U . . .
C197 C 0.1401(5) 0.0944(4) 1.1133(4) 0.046(2) Uani 1 1 d . U . . .
H197 H 0.1365 0.1167 1.1305 0.055 Uiso 1 1 calc R U . . .
C198 C 0.0888(5) 0.0620(4) 1.1066(4) 0.047(2) Uani 1 1 d D U . . .
C199 C 0.0979(5) 0.0337(4) 1.0797(4) 0.045(2) Uani 1 1 d . U . . .
H199 H 0.0642 0.0144 1.0735 0.054 Uiso 1 1 calc R U . . .
C200 C 0.1533(5) 0.0323(4) 1.0614(3) 0.038(2) Uani 1 1 d . U . . .
C201 C 0.2017(5) 0.0612(3) 1.0702(3) 0.035(2) Uani 1 1 d . U . . .
C202 C 0.1473(4) 0.0558(4) 0.9925(3) 0.025(2) Uani 1 1 d . . . . .
C203 C 0.0898(5) 0.0731(4) 0.9871(4) 0.056(4) Uani 1 1 d . . . . .
H203 H 0.0577 0.0512 1.0024 0.067 Uiso 1 1 calc R U . . .
C204 C 0.0748(5) 0.1231(4) 0.9591(3) 0.047(3) Uani 1 1 d . . . . .
C205 C 0.1236(5) 0.1468(4) 0.9373(3) 0.041(3) Uani 1 1 d . . . . .
H205 H 0.1165 0.1768 0.9171 0.049 Uiso 1 1 calc R U . . .
C206 C 0.1840(5) 0.1310(4) 0.9417(3) 0.036(3) Uani 1 1 d . . . . .
C207 C 0.1956(4) 0.0862(3) 0.9708(3) 0.031(3) Uani 1 1 d . . . . .
C208 C 0.2519(4) 0.2372(3) 0.9250(3) 0.027(2) Uani 1 1 d . U . . .
C209 C 0.2200(5) 0.2899(3) 0.9094(3) 0.034(2) Uani 1 1 d . U . . .
H209 H 0.1955 0.2872 0.8921 0.040 Uiso 1 1 calc R U . . .
C210 C 0.2235(5) 0.3459(4) 0.9190(3) 0.042(3) Uani 1 1 d . U . . .
C211 C 0.2615(5) 0.3485(4) 0.9434(3) 0.041(3) Uani 1 1 d . U . . .
H211 H 0.2662 0.3865 0.9496 0.049 Uiso 1 1 calc R U . . .
C212 C 0.2943(5) 0.2952(3) 0.9600(3) 0.036(2) Uani 1 1 d . U . . .
C213 C 0.2911(4) 0.2397(3) 0.9498(3) 0.0236(18) Uani 1 1 d . U . . .
C214 C 0.1979(10) 0.3614(7) 1.0881(6) 0.107(4) Uani 1 1 d . . . . .
C215 C 0.2008(10) 0.4244(6) 1.0596(6) 0.107(4) Uani 1 1 d . . . . .
H21A H 0.2422 0.4325 1.0487 0.160 Uiso 1 1 calc R U . . .
H21B H 0.1881 0.4584 1.0699 0.160 Uiso 1 1 calc R U . . .
H21C H 0.1738 0.4214 1.0425 0.160 Uiso 1 1 calc R U . . .
C216 C 0.2317(10) 0.3685(7) 1.1184(6) 0.107(4) Uani 1 1 d . . . . .
H21D H 0.2338 0.3280 1.1345 0.160 Uiso 1 1 calc R U . . .
H21E H 0.2099 0.3971 1.1300 0.160 Uiso 1 1 calc R U . . .
H21F H 0.2726 0.3848 1.1100 0.160 Uiso 1 1 calc R U . . .
C217 C 0.1385(9) 0.3400(7) 1.1004(6) 0.107(4) Uani 1 1 d . . . . .
H21G H 0.1181 0.3312 1.0819 0.160 Uiso 1 1 calc R U . . .
H21H H 0.1165 0.3718 1.1093 0.160 Uiso 1 1 calc R U . . .
H21I H 0.1395 0.3021 1.1186 0.160 Uiso 1 1 calc R U . . .
C218 C 0.0322(8) 0.0636(9) 1.1317(5) 0.194(10) Uani 1 1 d D . . . .
C219 C -0.0112(9) 0.1029(10) 1.1091(6) 0.194(10) Uani 1 1 d D . . . .
H21J H 0.0112 0.1259 1.0879 0.291 Uiso 1 1 calc R U . . .
H21K H -0.0310 0.1320 1.1210 0.291 Uiso 1 1 calc R U . . .
H21L H -0.0417 0.0760 1.1040 0.291 Uiso 1 1 calc R U . . .
C220 C 0.0324(10) 0.0804(10) 1.1664(6) 0.194(10) Uani 1 1 d D . . . .
H22A H 0.0660 0.0599 1.1782 0.291 Uiso 1 1 calc R U . . .
H22B H -0.0058 0.0665 1.1804 0.291 Uiso 1 1 calc R U . . .
H22C H 0.0371 0.1254 1.1626 0.291 Uiso 1 1 calc R U . . .
C221 C 0.0058(9) -0.0032(8) 1.1422(7) 0.194(10) Uani 1 1 d D . . . .
H22D H -0.0149 -0.0114 1.1236 0.291 Uiso 1 1 calc R U . . .
H22E H -0.0231 -0.0080 1.1625 0.291 Uiso 1 1 calc R U . . .
H22F H 0.0385 -0.0326 1.1471 0.291 Uiso 1 1 calc R U . . .
C222 C 0.0106(5) 0.1457(4) 0.9557(4) 0.048(4) Uani 1 1 d . . . . .
C223 C -0.0354(6) 0.1177(6) 0.9864(5) 0.086(7) Uani 1 1 d . . . . .
H22G H -0.0389 0.0729 0.9892 0.129 Uiso 1 1 calc R U . . .
H22H H -0.0748 0.1364 0.9826 0.129 Uiso 1 1 calc R U . . .
H22I H -0.0219 0.1261 1.0070 0.129 Uiso 1 1 calc R U . . .
C224 C -0.0149(8) 0.1262(7) 0.9257(5) 0.089(7) Uani 1 1 d . . . . .
H22J H 0.0142 0.1376 0.9055 0.134 Uiso 1 1 calc R U . . .
H22K H -0.0529 0.1474 0.9210 0.134 Uiso 1 1 calc R U . . .
H22L H -0.0223 0.0813 0.9318 0.134 Uiso 1 1 calc R U . . .
C225 C 0.0106(6) 0.2171(5) 0.9467(3) 0.047(3) Uani 1 1 d . . . . .
H22M H 0.0254 0.2319 0.9652 0.071 Uiso 1 1 calc R U . . .
H22N H -0.0306 0.2314 0.9436 0.071 Uiso 1 1 calc R U . . .
H22O H 0.0369 0.2334 0.9257 0.071 Uiso 1 1 calc R U . . .
C226 C 0.1885(12) 0.4031(7) 0.9020(7) 0.136(6) Uani 1 1 d . . . . .
C227 C 0.1874(11) 0.4538(7) 0.9210(6) 0.136(6) Uani 1 1 d . . . . .
H22P H 0.1729 0.4364 0.9450 0.204 Uiso 1 1 calc R U . . .
H22Q H 0.1603 0.4865 0.9110 0.204 Uiso 1 1 calc R U . . .
H22R H 0.2282 0.4712 0.9194 0.204 Uiso 1 1 calc R U . . .
C228 C 0.1223(11) 0.3820(7) 0.9025(6) 0.136(6) Uani 1 1 d . . . . .
H22S H 0.1211 0.3498 0.8900 0.204 Uiso 1 1 calc R U . . .
H22T H 0.0988 0.4173 0.8917 0.204 Uiso 1 1 calc R U . . .
H22U H 0.1050 0.3654 0.9260 0.204 Uiso 1 1 calc R U . . .
C229 C 0.2138(11) 0.4251(7) 0.8686(6) 0.136(6) Uani 1 1 d . . . . .
H22V H 0.2461 0.3978 0.8636 0.204 Uiso 1 1 calc R U . . .
H22W H 0.2303 0.4670 0.8655 0.204 Uiso 1 1 calc R U . . .
H22X H 0.1826 0.4260 0.8531 0.204 Uiso 1 1 calc R U . . .
C230 C 0.4662(5) -0.1142(4) 0.8331(3) 0.0367(19) Uani 1 1 d . U . . .
C231 C 0.4709(6) -0.1330(4) 0.8024(3) 0.043(2) Uani 1 1 d . U . . .
H231 H 0.4358 -0.1518 0.7975 0.052 Uiso 1 1 calc R U . . .
C232 C 0.5249(7) -0.1266(6) 0.7766(4) 0.060(3) Uani 1 1 d . U . . .
C233 C 0.5728(6) -0.1045(5) 0.7897(4) 0.051(2) Uani 1 1 d . U . . .
H233 H 0.6110 -0.1024 0.7768 0.061 Uiso 1 1 calc R U . . .
C234 C 0.5710(5) -0.0847(4) 0.8202(3) 0.0409(19) Uani 1 1 d . U . . .
C235 C 0.5167(5) -0.0884(3) 0.8416(3) 0.0329(17) Uani 1 1 d . U . . .
C236 C 0.6395(5) 0.0251(4) 0.8094(3) 0.0403(13) Uani 1 1 d . . . . .
C237 C 0.6690(5) 0.0407(4) 0.7766(3) 0.0403(13) Uani 1 1 d . . . . .
H237 H 0.6867 0.0087 0.7674 0.048 Uiso 1 1 calc R U . . .
C238 C 0.6737(5) 0.1028(4) 0.7562(3) 0.0403(13) Uani 1 1 d . . . . .
C239 C 0.6446(5) 0.1456(4) 0.7709(3) 0.0403(13) Uani 1 1 d . . . . .
H239 H 0.6455 0.1875 0.7582 0.048 Uiso 1 1 calc R U . . .
C240 C 0.6114(5) 0.1298(4) 0.8062(3) 0.0403(13) Uani 1 1 d . . . . .
C241 C 0.6082(5) 0.0692(4) 0.8250(3) 0.0403(13) Uani 1 1 d . . . . .
C242 C 0.5012(5) 0.1876(4) 0.8098(3) 0.035(3) Uani 1 1 d . . . . .
C243 C 0.4917(6) 0.2238(4) 0.7756(3) 0.043(3) Uani 1 1 d . . . . .
H243 H 0.5246 0.2465 0.7614 0.052 Uiso 1 1 calc R U . . .
C244 C 0.4354(7) 0.2255(5) 0.7636(4) 0.061(4) Uani 1 1 d . . . . .
C245 C 0.3905(6) 0.1872(4) 0.7846(3) 0.043(3) Uani 1 1 d . . . . .
H245 H 0.3525 0.1836 0.7765 0.051 Uiso 1 1 calc R U . . .
C246 C 0.4002(5) 0.1546(4) 0.8167(3) 0.041(3) Uani 1 1 d . . . . .
C247 C 0.4566(5) 0.1510(3) 0.8292(2) 0.024(2) Uani 1 1 d . . . . .
C248 C 0.3291(5) 0.0446(4) 0.8331(3) 0.034(2) Uani 1 1 d . U . . .
C249 C 0.2863(7) 0.0365(5) 0.8135(4) 0.060(4) Uani 1 1 d . U . . .
H249 H 0.2631 0.0712 0.8043 0.073 Uiso 1 1 calc R U . . .
C250 C 0.2734(8) -0.0207(6) 0.8056(5) 0.074(5) Uani 1 1 d D U . . .
C251 C 0.3109(7) -0.0683(5) 0.8207(4) 0.057(4) Uani 1 1 d . U . . .
H251 H 0.3051 -0.1081 0.8170 0.068 Uiso 1 1 calc R U . . .
C252 C 0.3556(6) -0.0609(4) 0.8407(3) 0.041(3) Uani 1 1 d . U . . .
C253 C 0.3626(5) -0.0053(4) 0.8509(3) 0.039(3) Uani 1 1 d . U . . .
C254 C 0.5244(14) -0.1497(12) 0.7456(7) 0.132(6) Uani 1 1 d . U . . .
C255 C 0.4677(12) -0.1253(11) 0.7275(6) 0.137(6) Uani 1 1 d D U . . .
C256 C 0.5163(11) -0.2225(9) 0.7557(5) 0.131(6) Uani 1 1 d D U . . .
H25A H 0.5546 -0.2414 0.7621 0.196 Uiso 1 1 calc R U . . .
H25B H 0.5041 -0.2363 0.7363 0.196 Uiso 1 1 calc R U . . .
H25C H 0.4852 -0.2348 0.7750 0.196 Uiso 1 1 calc R U . . .
C257 C 0.5818(11) -0.1349(11) 0.7235(6) 0.138(6) Uani 1 1 d D U . . .
H25D H 0.5870 -0.0898 0.7154 0.207 Uiso 1 1 calc R U . . .
H25E H 0.5811 -0.1532 0.7041 0.207 Uiso 1 1 calc R U . . .
H25F H 0.6154 -0.1517 0.7365 0.207 Uiso 1 1 calc R U . . .
C258 C 0.7060(12) 0.1208(9) 0.7232(5) 0.107(4) Uani 1 1 d . . . . .
C259 C 0.6771(11) 0.0857(9) 0.6990(5) 0.107(4) Uani 1 1 d . . . . .
H25G H 0.6792 0.0409 0.7083 0.161 Uiso 1 1 calc R U . . .
H25H H 0.6993 0.0971 0.6763 0.161 Uiso 1 1 calc R U . . .
H25I H 0.6348 0.0973 0.6974 0.161 Uiso 1 1 calc R U . . .
C260 C 0.7684(10) 0.0933(9) 0.7238(5) 0.107(4) Uani 1 1 d . . . . .
H26D H 0.7920 0.1115 0.7380 0.161 Uiso 1 1 calc R U . . .
H26E H 0.7887 0.1021 0.7006 0.161 Uiso 1 1 calc R U . . .
H26F H 0.7648 0.0484 0.7332 0.161 Uiso 1 1 calc R U . . .
C261 C 0.7071(11) 0.1853(8) 0.7053(5) 0.107(4) Uani 1 1 d . . . . .
H26G H 0.6670 0.2024 0.7084 0.161 Uiso 1 1 calc R U . . .
H26H H 0.7188 0.1893 0.6811 0.161 Uiso 1 1 calc R U . . .
H26I H 0.7364 0.2080 0.7144 0.161 Uiso 1 1 calc R U . . .
C262 C 0.4230(8) 0.2607(6) 0.7269(5) 0.073(4) Uiso 1 1 d . . . . .
C263 C 0.4804(9) 0.2981(8) 0.7080(5) 0.089(5) Uiso 1 1 d . . . . .
H26J H 0.4886 0.3312 0.7190 0.134 Uiso 1 1 calc R U . . .
H26K H 0.4738 0.3162 0.6843 0.134 Uiso 1 1 calc R U . . .
H26L H 0.5148 0.2705 0.7089 0.134 Uiso 1 1 calc R U . . .
C264 C 0.3798(10) 0.3068(9) 0.7307(6) 0.104(6) Uiso 1 1 d . . . . .
H26M H 0.3392 0.2911 0.7297 0.156 Uiso 1 1 calc R U . . .
H26N H 0.3887 0.3443 0.7123 0.156 Uiso 1 1 calc R U . . .
H26O H 0.3819 0.3167 0.7527 0.156 Uiso 1 1 calc R U . . .
C265 C 0.4067(10) 0.2187(9) 0.7077(6) 0.105(6) Uiso 1 1 d . . . . .
H26P H 0.4329 0.1827 0.7119 0.157 Uiso 1 1 calc R U . . .
H26Q H 0.4115 0.2395 0.6834 0.157 Uiso 1 1 calc R U . . .
H26R H 0.3646 0.2050 0.7146 0.157 Uiso 1 1 calc R U . . .
C266 C 0.2244(6) -0.0310(6) 0.7846(4) 0.073(3) Uani 1 1 d D U . . .
O63 O 0.6188(6) 0.1080(4) 0.9063(4) 0.0373(14) Uani 0.75 1 d . . P A 1
O64 O 0.6906(5) 0.0593(4) 0.9464(3) 0.0373(14) Uani 0.75 1 d . . P A 1
O66 O 0.6460(5) -0.0005(4) 0.9117(3) 0.0373(14) Uani 0.75 1 d . . P A 1
O70 O 0.448(2) 0.2103(16) 0.9623(13) 0.0399(14) Uani 0.25 1 d . . P B 1
O72 O 0.3823(16) 0.1287(13) 0.9174(10) 0.0399(14) Uani 0.25 1 d . . P C 1
O73 O 0.3469(15) 0.0499(12) 0.9280(10) 0.0363(16) Uani 0.25 1 d . . P C 1
O76 O 0.299(2) -0.0450(17) 0.9957(11) 0.0363(16) Uani 0.25 1 d . . P D 1
O78 O 0.3846(15) -0.0991(12) 0.9328(9) 0.0363(16) Uani 0.25 1 d . . P E 1
O83 O 0.6031(16) -0.0938(13) 0.9136(10) 0.0413(14) Uani 0.25 1 d . . P A 1
O87 O 0.5209(14) -0.0908(11) 0.9640(9) 0.0413(14) Uani 0.25 1 d . . P F 1
C268 C 0.1905(14) 0.0266(10) 0.7694(9) 0.075(5) Uani 0.5 1 d D U P G 1
H26S H 0.2191 0.0582 0.7554 0.113 Uiso 0.5 1 calc R U P G 1
H26T H 0.1611 0.0164 0.7552 0.113 Uiso 0.5 1 calc R U P G 1
H26U H 0.1695 0.0425 0.7877 0.113 Uiso 0.5 1 calc R U P G 1
C270 C 0.1779(11) -0.0766(12) 0.8054(7) 0.068(5) Uani 0.5 1 d D U P G 1
H27D H 0.1592 -0.0606 0.8243 0.102 Uiso 0.5 1 calc R U P G 1
H27E H 0.1469 -0.0829 0.7911 0.102 Uiso 0.5 1 calc R U P G 1
H27F H 0.1970 -0.1160 0.8145 0.102 Uiso 0.5 1 calc R U P G 1
C272 C 0.2510(13) -0.0584(14) 0.7563(6) 0.072(5) Uani 0.5 1 d D U P G 1
H27G H 0.2819 -0.0300 0.7419 0.109 Uiso 0.5 1 calc R U P G 1
H27H H 0.2693 -0.0981 0.7660 0.109 Uiso 0.5 1 calc R U P G 1
H27I H 0.2191 -0.0650 0.7426 0.109 Uiso 0.5 1 calc R U P G 1
C273 C 0.6541(7) 0.0554(5) 0.9209(4) 0.0373(14) Uani 0.75 1 d . . P A 1
O62 O 0.608(2) 0.1209(14) 0.9019(11) 0.0373(14) Uani 0.25 1 d . . P A 2
O67 O 0.6425(15) -0.0239(13) 0.9068(9) 0.0373(14) Uani 0.25 1 d . . P A 2
O68 O 0.5187(3) 0.1678(3) 0.9080(2) 0.0399(14) Uani 1 1 d . . . B 2
O69 O 0.4492(7) 0.2009(5) 0.9551(4) 0.0399(14) Uani 0.75 1 d . . P B 2
O71 O 0.4052(5) 0.1392(4) 0.9204(3) 0.0399(14) Uani 0.75 1 d . . P B 2
O74 O 0.3403(5) 0.0297(4) 0.9340(3) 0.0363(16) Uani 0.75 1 d . . P C 2
O75 O 0.3033(7) -0.0480(5) 0.9852(3) 0.0363(16) Uani 0.75 1 d . . P C 2
O77 O 0.3685(5) -0.0782(4) 0.9390(3) 0.0363(16) Uani 0.75 1 d . . P C 2
O80 O 0.5466(6) -0.1890(4) 0.9773(3) 0.0413(14) Uani 0.75 1 d . . P A 2
O82 O 0.5853(5) -0.1093(4) 0.9250(3) 0.0413(14) Uani 0.75 1 d . . P A 2
C267 C 0.2238(16) 0.0192(11) 0.7525(6) 0.079(5) Uani 0.5 1 d D U P G 2
H26V H 0.2256 0.0597 0.7579 0.119 Uiso 0.5 1 calc R U P G 2
H26W H 0.2589 0.0153 0.7367 0.119 Uiso 0.5 1 calc R U P G 2
H26X H 0.1867 0.0156 0.7421 0.119 Uiso 0.5 1 calc R U P G 2
C269 C 0.1645(10) -0.0288(14) 0.8049(7) 0.077(5) Uani 0.5 1 d D U P G 2
H26Y H 0.1625 -0.0610 0.8263 0.115 Uiso 0.5 1 calc R U P G 2
H H 0.1600 0.0119 0.8099 0.115 Uiso 0.5 1 calc R U P G 2
HA H 0.1319 -0.0359 0.7918 0.115 Uiso 0.5 1 calc R U P G 2
C271 C 0.2216(14) -0.0894(10) 0.7725(7) 0.074(5) Uani 0.5 1 d D U P G 2
H27J H 0.2218 -0.1254 0.7920 0.112 Uiso 0.5 1 calc R U P G 2
H27K H 0.1846 -0.0902 0.7616 0.112 Uiso 0.5 1 calc R U P G 2
H27L H 0.2567 -0.0905 0.7562 0.112 Uiso 0.5 1 calc R U P G 2
C274 C 0.4536(7) 0.1711(5) 0.9283(4) 0.0399(14) Uani 0.75 1 d . . P B 2
C275 C 0.3381(7) -0.0300(5) 0.9514(4) 0.0363(16) Uani 0.75 1 d . . P C 2
C276 C 0.5368(7) -0.1491(5) 0.9463(4) 0.0413(14) Uani 0.75 1 d . . P A 2
Cl1 Cl 0.12086(12) 0.49842(9) 0.45933(7) 0.0375(7) Uani 1 1 d . . . . .
Cl2 Cl 0.01612(12) 0.36678(9) 0.53804(7) 0.0359(6) Uani 1 1 d . . . . .
Cl3 Cl 0.06080(12) 0.54511(9) 0.55358(8) 0.0389(7) Uani 1 1 d . . . . .
S1 S 0.27971(12) 0.32654(9) 0.46146(8) 0.0396(7) Uani 1 1 d . . . . .
S2 S 0.33631(11) 0.55436(9) 0.48305(7) 0.0295(6) Uani 1 1 d . . . . .
S3 S 0.23555(12) 0.67152(9) 0.36666(7) 0.0337(7) Uani 1 1 d . . . . .
S4 S 0.18389(13) 0.44420(10) 0.34307(8) 0.0374(7) Uani 1 1 d . . . . .
S5 S -0.04467(12) 0.15587(9) 0.51642(7) 0.0325(7) Uani 1 1 d . . . . .
S6 S -0.12006(12) 0.22027(9) 0.63625(7) 0.0336(7) Uani 1 1 d . . . . .
S7 S 0.11597(13) 0.27790(9) 0.64933(8) 0.0373(7) Uani 1 1 d . . . . .
S8 S 0.19137(11) 0.21489(8) 0.52910(7) 0.0284(6) Uani 1 1 d . . . . .
S9 S -0.02831(13) 0.60091(10) 0.66487(8) 0.0382(7) Uani 1 1 d . . . . .
S10 S 0.10828(12) 0.76839(9) 0.56172(7) 0.0344(7) Uani 1 1 d . . . . .
S11 S 0.28597(11) 0.59518(9) 0.56041(7) 0.0313(6) Uani 1 1 d . . . . .
S12 S 0.14976(12) 0.42877(9) 0.66366(7) 0.0344(7) Uani 1 1 d . . . . .
O1 O 0.1996(3) 0.4137(2) 0.41857(18) 0.0259(16) Uani 1 1 d . . . . .
O2 O 0.2550(3) 0.4543(2) 0.47223(19) 0.0280(17) Uani 1 1 d . . . . .
O3 O 0.2394(3) 0.5794(2) 0.43424(18) 0.0262(17) Uani 1 1 d . . . . .
O4 O 0.1819(3) 0.5414(2) 0.38346(17) 0.0238(15) Uani 1 1 d . . . . .
O5 O 0.0582(3) 0.2388(2) 0.5227(2) 0.0350(19) Uani 1 1 d . . . . .
O6 O -0.0577(3) 0.2386(2) 0.56539(17) 0.0192(15) Uani 1 1 d . . . . .
O7 O 0.0018(3) 0.2832(2) 0.61331(18) 0.0288(17) Uani 1 1 d . . . . .
O8 O 0.1162(3) 0.2799(2) 0.5740(2) 0.036(2) Uani 1 1 d . . . . .
O9 O 0.0588(3) 0.5195(2) 0.63266(18) 0.0283(17) Uani 1 1 d . . . . .
O10 O 0.0421(3) 0.6466(2) 0.59597(19) 0.0283(17) Uani 1 1 d . . . . .
O11 O 0.1599(3) 0.6434(2) 0.55926(16) 0.0175(14) Uani 1 1 d . . . . .
O12 O 0.1765(3) 0.5157(2) 0.59477(18) 0.0269(17) Uani 1 1 d . . . . .
O38 O 0.0000 0.5000 0.5000 0.027(3) Uani 0.25 2 d S . P . .
O88 O 0.5000 0.0000 1.0000 0.0413(14) Uani 0.25 2 d S . P . .
O100 O 0.4473(13) 0.5074(11) 0.3031(6) 0.221(11) Uani 1 1 d D U . . .
O101 O -0.0085(6) 0.0007(4) 0.6956(3) 0.099(3) Uani 1 1 d . U . . .
O102 O 0.8011(6) 0.4634(5) 0.8819(4) 0.097(3) Uani 1 1 d . U . . .
O103 O 0.4586(7) 0.0563(6) 0.6798(4) 0.116(4) Uani 1 1 d . U . . .
O104 O 1.0884(6) 0.3559(5) 1.0129(4) 0.117(5) Uani 1 1 d D U . . .
N100 N 0.4084(6) 0.5139(6) 0.3567(5) 0.102(4) Uani 1 1 d D U . . .
N101 N 0.0519(6) 0.0602(4) 0.6478(4) 0.068(3) Uani 1 1 d . U . . .
N102 N 0.7560(5) 0.3981(4) 0.9342(3) 0.063(2) Uani 1 1 d D U . . .
N103 N 0.4682(7) 0.0469(5) 0.7363(4) 0.076(3) Uani 1 1 d . U . . .
N104 N 1.1182(6) 0.2533(5) 1.0219(4) 0.070(3) Uani 1 1 d . U . . .
C1 C 0.2360(5) 0.3929(4) 0.3670(3) 0.038(2) Uani 1 1 d . U . . .
C2 C 0.2740(8) 0.3611(5) 0.3475(4) 0.065(4) Uani 1 1 d . U . . .
H2 H 0.2726 0.3686 0.3236 0.078 Uiso 1 1 calc R U . . .
C3 C 0.3149(11) 0.3170(9) 0.3646(5) 0.109(7) Uani 1 1 d D U . . .
C4 C 0.3136(8) 0.3078(6) 0.3991(4) 0.065(4) Uani 1 1 d . U . . .
H4 H 0.3383 0.2767 0.4110 0.078 Uiso 1 1 calc R U . . .
C5 C 0.2784(5) 0.3412(4) 0.4172(3) 0.038(2) Uani 1 1 d . U . . .
C6 C 0.2353(5) 0.3835(4) 0.4010(3) 0.0337(19) Uani 1 1 d . U . . .
C7 C 0.3328(5) 0.3854(4) 0.4621(3) 0.0359(11) Uani 1 1 d . U . . .
C8 C 0.3947(5) 0.3736(4) 0.4582(3) 0.0359(11) Uani 1 1 d . U . . .
H8 H 0.4073 0.3349 0.4544 0.043 Uiso 1 1 calc R U . . .
C9 C 0.4365(5) 0.4156(4) 0.4598(3) 0.0359(11) Uani 1 1 d . U . . .
C10 C 0.4155(5) 0.4715(4) 0.4665(3) 0.0359(11) Uani 1 1 d . U . . .
H10 H 0.4442 0.5022 0.4676 0.043 Uiso 1 1 calc R U . . .
C11 C 0.3543(5) 0.4835(4) 0.4717(3) 0.0359(11) Uani 1 1 d . U . . .
C12 C 0.3138(5) 0.4411(4) 0.4686(3) 0.0359(11) Uani 1 1 d . U . . .
C13 C 0.3387(5) 0.6094(5) 0.4435(3) 0.042(3) Uani 1 1 d . U . . .
C14 C 0.3887(6) 0.6498(5) 0.4332(3) 0.048(3) Uani 1 1 d . U . . .
H14 H 0.4221 0.6444 0.4463 0.058 Uiso 1 1 calc R U . . .
C15 C 0.3901(6) 0.6981(6) 0.4038(4) 0.055(4) Uani 1 1 d . U . . .
C16 C 0.3446(5) 0.7012(4) 0.3833(3) 0.035(2) Uani 1 1 d . U . . .
H16 H 0.3472 0.7313 0.3622 0.042 Uiso 1 1 calc R U . . .
C17 C 0.2945(5) 0.6610(4) 0.3929(3) 0.041(2) Uani 1 1 d . U . . .
C18 C 0.2891(4) 0.6157(3) 0.4243(3) 0.0259(17) Uani 1 1 d . U . . .
C19 C 0.2449(5) 0.6134(4) 0.3429(3) 0.0323(11) Uani 1 1 d . . . . .
C20 C 0.2824(5) 0.6300(4) 0.3118(3) 0.0323(11) Uani 1 1 d . . . . .
H20 H 0.3055 0.6675 0.3063 0.039 Uiso 1 1 calc R U . . .
C21 C 0.2863(5) 0.5924(4) 0.2890(3) 0.0323(11) Uani 1 1 d D . . . .
C22 C 0.2584(5) 0.5349(4) 0.3011(3) 0.0323(11) Uani 1 1 d . . . . .
H22 H 0.2637 0.5062 0.2873 0.039 Uiso 1 1 calc R U . . .
C23 C 0.2238(5) 0.5166(4) 0.3315(3) 0.0323(11) Uani 1 1 d . . . . .
C24 C 0.2160(5) 0.5573(4) 0.3538(3) 0.0323(11) Uani 1 1 d . . . . .
C33 C 0.5055(6) 0.4006(6) 0.4549(4) 0.051(4) Uani 1 1 d . . . . .
C34 C 0.5182(8) 0.3708(9) 0.4245(5) 0.093(6) Uani 1 1 d . . . . .
H34A H 0.4832 0.3455 0.4231 0.139 Uiso 1 1 calc R U . . .
H34B H 0.5536 0.3446 0.4277 0.139 Uiso 1 1 calc R U . . .
H34C H 0.5258 0.4034 0.4034 0.139 Uiso 1 1 calc R U . . .
C35 C 0.5244(9) 0.3549(7) 0.4854(5) 0.093(6) Uani 1 1 d . . . . .
H35A H 0.5165 0.3716 0.5055 0.139 Uiso 1 1 calc R U . . .
H35B H 0.5676 0.3472 0.4817 0.139 Uiso 1 1 calc R U . . .
H35C H 0.5015 0.3161 0.4889 0.139 Uiso 1 1 calc R U . . .
C36 C 0.5462(6) 0.4586(6) 0.4471(5) 0.068(5) Uani 1 1 d . . . . .
H36A H 0.5462 0.4802 0.4231 0.102 Uiso 1 1 calc R U . . .
H36B H 0.5874 0.4466 0.4519 0.102 Uiso 1 1 calc R U . . .
H36C H 0.5309 0.4861 0.4613 0.102 Uiso 1 1 calc R U . . .
C37 C 0.4433(9) 0.7445(9) 0.3948(5) 0.113(5) Uani 1 1 d . . . . .
C38 C 0.5062(8) 0.7058(8) 0.3912(5) 0.113(5) Uani 1 1 d . . . . .
H38A H 0.5137 0.6804 0.4137 0.170 Uiso 1 1 calc R U . . .
H38B H 0.5401 0.7350 0.3822 0.170 Uiso 1 1 calc R U . . .
H38C H 0.5020 0.6790 0.3758 0.170 Uiso 1 1 calc R U . . .
C39 C 0.4524(8) 0.7736(9) 0.4229(5) 0.113(5) Uani 1 1 d . . . . .
H39A H 0.4277 0.8106 0.4209 0.170 Uiso 1 1 calc R U . . .
H39B H 0.4950 0.7853 0.4217 0.170 Uiso 1 1 calc R U . . .
H39C H 0.4404 0.7441 0.4447 0.170 Uiso 1 1 calc R U . . .
C40 C 0.4407(8) 0.7933(9) 0.3633(5) 0.113(5) Uani 1 1 d . . . . .
H40A H 0.4434 0.7746 0.3438 0.170 Uiso 1 1 calc R U . . .
H40B H 0.4745 0.8227 0.3606 0.170 Uiso 1 1 calc R U . . .
H40C H 0.4026 0.8151 0.3644 0.170 Uiso 1 1 calc R U . . .
C41 C 0.3250(6) 0.6121(5) 0.2544(3) 0.065(3) Uani 1 1 d D . . . .
C48 C 0.1316(5) 0.1600(3) 0.5308(3) 0.0308(10) Uani 1 1 d . . . . .
C49 C 0.1471(5) 0.0976(3) 0.5358(3) 0.0308(10) Uani 1 1 d . . . . .
H49 H 0.1878 0.0860 0.5383 0.037 Uiso 1 1 calc R U . . .
C50 C 0.1030(5) 0.0519(4) 0.5371(3) 0.0308(10) Uani 1 1 d . . . . .
C51 C 0.0464(5) 0.0720(4) 0.5320(3) 0.0308(10) Uani 1 1 d . . . . .
H51 H 0.0164 0.0420 0.5318 0.037 Uiso 1 1 calc R U . . .
C52 C 0.0287(5) 0.1345(3) 0.5268(3) 0.0308(10) Uani 1 1 d . . . . .
C53 C 0.0749(5) 0.1798(4) 0.5255(3) 0.0308(10) Uani 1 1 d . . . . .
C54 C -0.0824(5) 0.1392(4) 0.5581(3) 0.032(2) Uani 1 1 d . U . . .
C55 C -0.1116(6) 0.0797(5) 0.5742(4) 0.055(3) Uani 1 1 d . U . . .
H55 H -0.1126 0.0500 0.5610 0.066 Uiso 1 1 calc R U . . .
C56 C -0.1363(6) 0.0644(4) 0.6054(4) 0.047(3) Uani 1 1 d . U . . .
C57 C -0.1380(5) 0.1083(4) 0.6235(3) 0.040(2) Uani 1 1 d . U . . .
H57 H -0.1569 0.0978 0.6461 0.048 Uiso 1 1 calc R U . . .
C58 C -0.1135(5) 0.1672(4) 0.6106(3) 0.033(2) Uani 1 1 d . U . . .
C59 C -0.0828(4) 0.1843(4) 0.5771(3) 0.0264(18) Uani 1 1 d . U . . .
C60 C -0.0536(5) 0.2069(4) 0.6592(3) 0.0317(19) Uani 1 1 d . U . . .
C61 C -0.0569(6) 0.1680(5) 0.6909(3) 0.042(2) Uani 1 1 d . U . . .
H61 H -0.0937 0.1462 0.7002 0.051 Uiso 1 1 calc R U . . .
C62 C -0.0065(6) 0.1592(5) 0.7102(3) 0.049(3) Uani 1 1 d . U . . .
C63 C 0.0437(6) 0.1914(5) 0.6954(3) 0.044(3) Uani 1 1 d . U . . .
H63 H 0.0787 0.1856 0.7071 0.052 Uiso 1 1 calc R U . . .
C64 C 0.0471(5) 0.2330(3) 0.6635(3) 0.0268(17) Uani 1 1 d . U . . .
C65 C -0.0019(5) 0.2434(3) 0.6441(3) 0.0254(16) Uani 1 1 d . U . . .
C66 C 0.1630(4) 0.2348(3) 0.6241(3) 0.0282(16) Uani 1 1 d . U . . .
C67 C 0.2051(5) 0.1964(4) 0.6412(3) 0.039(2) Uani 1 1 d . U . . .
H67 H 0.2080 0.1934 0.6646 0.047 Uiso 1 1 calc R U . . .
C68 C 0.2428(6) 0.1626(5) 0.6239(4) 0.054(3) Uani 1 1 d . U . . .
C69 C 0.2389(5) 0.1709(4) 0.5896(3) 0.0371(19) Uani 1 1 d . U . . .
H69 H 0.2667 0.1499 0.5773 0.045 Uiso 1 1 calc R U . . .
C70 C 0.1955(4) 0.2093(3) 0.5713(3) 0.0298(17) Uani 1 1 d . U . . .
C71 C 0.1540(4) 0.2433(3) 0.5908(3) 0.0289(17) Uani 1 1 d . U . . .
C72 C 0.1209(6) -0.0163(4) 0.5440(3) 0.046(3) Uani 1 1 d . . . . .
C73 C 0.1606(8) -0.0288(5) 0.5157(4) 0.079(5) Uani 1 1 d . . . . .
H73A H 0.1390 -0.0212 0.4954 0.119 Uiso 1 1 calc R U . . .
H73B H 0.1729 -0.0720 0.5216 0.119 Uiso 1 1 calc R U . . .
H73C H 0.1963 -0.0015 0.5112 0.119 Uiso 1 1 calc R U . . .
C74 C 0.0603(6) -0.0584(4) 0.5516(4) 0.066(4) Uani 1 1 d . . . . .
H74A H 0.0383 -0.0546 0.5730 0.099 Uiso 1 1 calc R U . . .
H74B H 0.0709 -0.1017 0.5534 0.099 Uiso 1 1 calc R U . . .
H74C H 0.0349 -0.0445 0.5330 0.099 Uiso 1 1 calc R U . . .
C75 C 0.1513(7) -0.0336(4) 0.5776(4) 0.067(5) Uani 1 1 d . . . . .
H75A H 0.1809 -0.0012 0.5777 0.100 Uiso 1 1 calc R U . . .
H75B H 0.1718 -0.0731 0.5793 0.100 Uiso 1 1 calc R U . . .
H75C H 0.1206 -0.0374 0.5970 0.100 Uiso 1 1 calc R U . . .
C76 C -0.1659(11) -0.0033(7) 0.6211(6) 0.121(5) Uani 1 1 d . . . . .
C80 C -0.0118(7) 0.1201(6) 0.7477(4) 0.068(5) Uani 1 1 d . . . . .
C81 C -0.0692(8) 0.0781(9) 0.7568(5) 0.091(7) Uani 1 1 d . . . . .
H81A H -0.1050 0.1039 0.7546 0.137 Uiso 1 1 calc R U . . .
H81B H -0.0699 0.0531 0.7803 0.137 Uiso 1 1 calc R U . . .
H81C H -0.0689 0.0508 0.7413 0.137 Uiso 1 1 calc R U . . .
C82 C -0.0145(12) 0.1619(9) 0.7701(6) 0.113(8) Uani 1 1 d . . . . .
H82A H 0.0167 0.1513 0.7857 0.169 Uiso 1 1 calc R U . . .
H82B H -0.0543 0.1581 0.7832 0.169 Uiso 1 1 calc R U . . .
H82C H -0.0079 0.2046 0.7565 0.169 Uiso 1 1 calc R U . . .
C83 C 0.0441(7) 0.0811(6) 0.7533(4) 0.069(5) Uani 1 1 d . . . . .
H83A H 0.0429 0.0480 0.7414 0.104 Uiso 1 1 calc R U . . .
H83B H 0.0452 0.0629 0.7776 0.104 Uiso 1 1 calc R U . . .
H83C H 0.0802 0.1072 0.7444 0.104 Uiso 1 1 calc R U . . .
C84 C 0.2935(10) 0.1195(8) 0.6398(5) 0.099(4) Uani 1 1 d . U . . .
C85 C 0.2881(9) 0.0595(7) 0.6377(5) 0.098(4) Uani 1 1 d . U . . .
H85A H 0.2505 0.0410 0.6507 0.148 Uiso 1 1 calc R U . . .
H85B H 0.3225 0.0360 0.6469 0.148 Uiso 1 1 calc R U . . .
H85C H 0.2875 0.0586 0.6138 0.148 Uiso 1 1 calc R U . . .
C86 C 0.2889(9) 0.1133(8) 0.6776(5) 0.101(4) Uani 1 1 d . U . . .
H86A H 0.3161 0.1437 0.6825 0.151 Uiso 1 1 calc R U . . .
H86B H 0.3002 0.0715 0.6892 0.151 Uiso 1 1 calc R U . . .
H86C H 0.2473 0.1208 0.6858 0.151 Uiso 1 1 calc R U . . .
C87 C 0.3545(10) 0.1525(8) 0.6238(6) 0.105(5) Uani 1 1 d . U . . .
H87A H 0.3471 0.1895 0.6061 0.158 Uiso 1 1 calc R U . . .
H87B H 0.3799 0.1243 0.6137 0.158 Uiso 1 1 calc R U . . .
H87C H 0.3751 0.1644 0.6414 0.158 Uiso 1 1 calc R U . . .
C88 C 0.1028(5) 0.4736(4) 0.6854(3) 0.0322(17) Uani 1 1 d . U . . .
C89 C 0.1065(6) 0.4691(5) 0.7195(3) 0.043(2) Uani 1 1 d . U . . .
H89 H 0.1354 0.4424 0.7309 0.052 Uiso 1 1 calc R U . . .
C90 C 0.0670(6) 0.5046(5) 0.7391(4) 0.048(2) Uani 1 1 d . U . . .
C91 C 0.0335(5) 0.5419(4) 0.7192(3) 0.041(2) Uani 1 1 d . U . . .
H91 H 0.0101 0.5690 0.7298 0.049 Uiso 1 1 calc R U . . .
C92 C 0.0261(5) 0.5488(4) 0.6853(3) 0.0310(17) Uani 1 1 d . U . . .
C93 C 0.0615(5) 0.5151(4) 0.6658(3) 0.0309(17) Uani 1 1 d . U . . .
C94 C 0.0157(5) 0.6696(4) 0.6502(3) 0.0330(19) Uani 1 1 d . U . . .
C95 C 0.0191(7) 0.7099(5) 0.6718(4) 0.056(3) Uani 1 1 d . U . . .
H95 H -0.0006 0.6988 0.6943 0.068 Uiso 1 1 calc R U . . .
C96 C 0.0524(8) 0.7679(5) 0.6598(3) 0.063(4) Uani 1 1 d D U . . .
C97 C 0.0792(6) 0.7802(4) 0.6272(3) 0.044(2) Uani 1 1 d . U . . .
H97 H 0.1019 0.8179 0.6191 0.053 Uiso 1 1 calc R U . . .
C98 C 0.0764(5) 0.7428(4) 0.6046(3) 0.0290(18) Uani 1 1 d . U . . .
C99 C 0.0435(5) 0.6847(4) 0.6174(3) 0.0284(18) Uani 1 1 d . U . . .
C100 C 0.1853(6) 0.7460(4) 0.5623(4) 0.056(4) Uani 1 1 d . . . . .
C101 C 0.2294(5) 0.7893(4) 0.5645(4) 0.047(4) Uani 1 1 d . . . . .
H101 H 0.2176 0.8299 0.5654 0.056 Uiso 1 1 calc R U . . .
C102 C 0.2887(7) 0.7741(5) 0.5656(4) 0.067(5) Uani 1 1 d . . . . .
C103 C 0.3052(5) 0.7148(4) 0.5636(3) 0.041(3) Uani 1 1 d . . . . .
H103 H 0.3464 0.7037 0.5639 0.049 Uiso 1 1 calc R U . . .
C104 C 0.2615(5) 0.6707(4) 0.5612(3) 0.031(3) Uani 1 1 d . . . . .
C105 C 0.2008(4) 0.6845(3) 0.5612(3) 0.026(2) Uani 1 1 d . . . . .
C106 C 0.2723(5) 0.5526(3) 0.6044(3) 0.028(2) Uani 1 1 d . . . . .
C107 C 0.3132(5) 0.5568(4) 0.6257(3) 0.046(3) Uani 1 1 d . . . . .
H107 H 0.3476 0.5830 0.6171 0.055 Uiso 1 1 calc R U . . .
C108 C 0.3077(5) 0.5243(4) 0.6601(3) 0.035(3) Uani 1 1 d D . . . .
C109 C 0.2577(5) 0.4832(4) 0.6710(3) 0.043(3) Uani 1 1 d . . . . .
H109 H 0.2534 0.4575 0.6935 0.052 Uiso 1 1 calc R U . . .
C110 C 0.2128(5) 0.4799(4) 0.6482(3) 0.036(3) Uani 1 1 d . . . . .
C111 C 0.2191(5) 0.5162(3) 0.6137(3) 0.027(2) Uani 1 1 d . . . . .
C112 C 0.0769(12) 0.4976(12) 0.7739(5) 0.109(5) Uani 1 1 d . U . . .
C113 C 0.0597(12) 0.4312(11) 0.7926(5) 0.118(5) Uani 1 1 d . U . . .
H11A H 0.0305 0.4149 0.7804 0.177 Uiso 1 1 calc R U . . .
H11B H 0.0417 0.4301 0.8157 0.177 Uiso 1 1 calc R U . . .
H11C H 0.0959 0.4059 0.7938 0.177 Uiso 1 1 calc R U . . .
C114 C 0.0356(11) 0.5361(12) 0.7928(5) 0.118(5) Uani 1 1 d . U . . .
H11D H 0.0359 0.5791 0.7793 0.177 Uiso 1 1 calc R U . . .
H11E H 0.0500 0.5349 0.8149 0.177 Uiso 1 1 calc R U . . .
H11F H -0.0057 0.5190 0.7964 0.177 Uiso 1 1 calc R U . . .
C115 C 0.1345(11) 0.5095(11) 0.7830(5) 0.114(5) Uani 1 1 d . U . . .
H11G H 0.1619 0.4766 0.7795 0.171 Uiso 1 1 calc R U . . .
H11H H 0.1310 0.5108 0.8069 0.171 Uiso 1 1 calc R U . . .
H11I H 0.1504 0.5494 0.7687 0.171 Uiso 1 1 calc R U . . .
C116 C 0.0511(9) 0.8157(7) 0.6822(4) 0.168(7) Uani 1 1 d D U . . .
C117 C 0.0338(13) 0.7842(8) 0.7205(5) 0.171(8) Uani 1 1 d D U . . .
H11J H -0.0047 0.7615 0.7232 0.257 Uiso 1 1 calc R U . . .
H11K H 0.0298 0.8159 0.7335 0.257 Uiso 1 1 calc R U . . .
H11L H 0.0653 0.7554 0.7290 0.257 Uiso 1 1 calc R U . . .
C118 C 0.0068(12) 0.8690(8) 0.6688(5) 0.175(8) Uani 1 1 d D U . . .
H11M H 0.0236 0.8937 0.6464 0.263 Uiso 1 1 calc R U . . .
H11N H 0.0014 0.8955 0.6847 0.263 Uiso 1 1 calc R U . . .
H11O H -0.0323 0.8510 0.6668 0.263 Uiso 1 1 calc R U . . .
C119 C 0.1154(11) 0.8463(8) 0.6784(6) 0.174(8) Uani 1 1 d D U . . .
H11P H 0.1454 0.8139 0.6833 0.262 Uiso 1 1 calc R U . . .
H11Q H 0.1163 0.8726 0.6944 0.262 Uiso 1 1 calc R U . . .
H11R H 0.1247 0.8715 0.6551 0.262 Uiso 1 1 calc R U . . .
C120 C 0.3354(9) 0.8224(8) 0.5682(8) 0.146(6) Uani 1 1 d . U . . .
C121 C 0.3815(9) 0.7962(8) 0.5930(8) 0.151(7) Uani 1 1 d . U . . .
H12A H 0.3604 0.7763 0.6153 0.226 Uiso 1 1 calc R U . . .
H12B H 0.4078 0.8297 0.5953 0.226 Uiso 1 1 calc R U . . .
H12C H 0.4059 0.7655 0.5845 0.226 Uiso 1 1 calc R U . . .
C122 C 0.3141(9) 0.8742(8) 0.5770(8) 0.152(7) Uani 1 1 d . U . . .
H12D H 0.2984 0.9021 0.5574 0.228 Uiso 1 1 calc R U . . .
H12E H 0.3468 0.8952 0.5844 0.228 Uiso 1 1 calc R U . . .
H12F H 0.2816 0.8626 0.5956 0.228 Uiso 1 1 calc R U . . .
C123 C 0.3756(10) 0.8368(8) 0.5353(8) 0.155(7) Uani 1 1 d . U . . .
H12G H 0.4086 0.8074 0.5368 0.233 Uiso 1 1 calc R U . . .
H12H H 0.3922 0.8790 0.5309 0.233 Uiso 1 1 calc R U . . .
H12I H 0.3521 0.8335 0.5168 0.233 Uiso 1 1 calc R U . . .
C124 C 0.3502(6) 0.5291(6) 0.6857(4) 0.097(4) Uani 1 1 d D U . . .
C125 C 0.3758(9) 0.4668(7) 0.6998(5) 0.108(5) Uani 1 1 d D U . . .
H12J H 0.3428 0.4364 0.7087 0.163 Uiso 1 1 calc R U . . .
H12K H 0.4002 0.4691 0.7182 0.163 Uiso 1 1 calc R U . . .
H12L H 0.4012 0.4542 0.6817 0.163 Uiso 1 1 calc R U . . .
C126 C 0.3131(8) 0.5502(8) 0.7149(4) 0.109(5) Uani 1 1 d D U . . .
H12M H 0.2772 0.5717 0.7064 0.163 Uiso 1 1 calc R U . . .
H12N H 0.3378 0.5784 0.7232 0.163 Uiso 1 1 calc R U . . .
H12O H 0.3008 0.5141 0.7334 0.163 Uiso 1 1 calc R U . . .
C127 C 0.3967(8) 0.5808(7) 0.6721(4) 0.096(5) Uani 1 1 d D U . . .
H12P H 0.4266 0.5688 0.6557 0.143 Uiso 1 1 calc R U . . .
H12Q H 0.4169 0.5887 0.6909 0.143 Uiso 1 1 calc R U . . .
H12R H 0.3767 0.6184 0.6609 0.143 Uiso 1 1 calc R U . . .
C300 C 0.4406(12) 0.5683(11) 0.3536(8) 0.172(11) Uani 1 1 d D U . . .
H30D H 0.4148 0.5975 0.3625 0.259 Uiso 1 1 calc R U . . .
H30E H 0.4540 0.5864 0.3295 0.259 Uiso 1 1 calc R U . . .
H30F H 0.4758 0.5595 0.3664 0.259 Uiso 1 1 calc R U . . .
C301 C 0.3577(6) 0.4947(8) 0.3804(4) 0.088(4) Uani 1 1 d D U . . .
H30G H 0.3667 0.4984 0.4028 0.131 Uiso 1 1 calc R U . . .
H30H H 0.3475 0.4514 0.3815 0.131 Uiso 1 1 calc R U . . .
H30I H 0.3235 0.5208 0.3733 0.131 Uiso 1 1 calc R U . . .
C302 C 0.4182(13) 0.4830(12) 0.3307(6) 0.161(9) Uani 1 1 d D U . . .
H302 H 0.4021 0.4422 0.3343 0.194 Uiso 1 1 calc R U . . .
C303 C 0.1088(8) 0.0478(6) 0.6630(4) 0.073(4) Uani 1 1 d . U . . .
H30J H 0.1335 0.0214 0.6513 0.109 Uiso 1 1 calc R U . . .
H30K H 0.1004 0.0267 0.6872 0.109 Uiso 1 1 calc R U . . .
H30L H 0.1305 0.0869 0.6608 0.109 Uiso 1 1 calc R U . . .
C304 C 0.0516(7) 0.1049(5) 0.6163(4) 0.064(3) Uani 1 1 d . U . . .
H30M H 0.0871 0.1324 0.6127 0.096 Uiso 1 1 calc R U . . .
H30N H 0.0149 0.1293 0.6166 0.096 Uiso 1 1 calc R U . . .
H30O H 0.0526 0.0839 0.5978 0.096 Uiso 1 1 calc R U . . .
C305 C 0.0009(8) 0.0386(6) 0.6647(5) 0.078(3) Uani 1 1 d . U . . .
H305 H -0.0342 0.0513 0.6536 0.093 Uiso 1 1 calc R U . . .
C306 C 0.8125(6) 0.3995(7) 0.9479(5) 0.078(4) Uani 1 1 d D U . . .
H30P H 0.8086 0.4231 0.9653 0.116 Uiso 1 1 calc R U . . .
H30Q H 0.8435 0.4192 0.9297 0.116 Uiso 1 1 calc R U . . .
H30R H 0.8243 0.3571 0.9581 0.116 Uiso 1 1 calc R U . . .
C307 C 0.7085(6) 0.3613(5) 0.9531(4) 0.066(3) Uani 1 1 d D U . . .
H30S H 0.7214 0.3183 0.9598 0.099 Uiso 1 1 calc R U . . .
H30T H 0.6745 0.3637 0.9394 0.099 Uiso 1 1 calc R U . . .
H30U H 0.6960 0.3758 0.9735 0.099 Uiso 1 1 calc R U . . .
C308 C 0.7539(8) 0.4311(5) 0.9002(4) 0.071(3) Uani 1 1 d D U . . .
H308 H 0.7175 0.4303 0.8899 0.085 Uiso 1 1 calc R U . . .
C309 C 0.4111(10) 0.0235(11) 0.7439(6) 0.121(7) Uani 1 1 d . U . . .
H30V H 0.4104 -0.0144 0.7623 0.181 Uiso 1 1 calc R U . . .
H30W H 0.3970 0.0140 0.7238 0.181 Uiso 1 1 calc R U . . .
H30X H 0.3847 0.0539 0.7513 0.181 Uiso 1 1 calc R U . . .
C310 C 0.4956(8) 0.0519(8) 0.7651(5) 0.086(4) Uani 1 1 d . U . . .
H31D H 0.4643 0.0529 0.7837 0.129 Uiso 1 1 calc R U . . .
H31E H 0.5202 0.0900 0.7596 0.129 Uiso 1 1 calc R U . . .
H31F H 0.5213 0.0161 0.7722 0.129 Uiso 1 1 calc R U . . .
C311 C 0.4872(11) 0.0597(9) 0.7027(6) 0.102(5) Uani 1 1 d . U . . .
H311 H 0.5280 0.0732 0.6965 0.122 Uiso 1 1 calc R U . . .
C312 C 1.0805(9) 0.2362(7) 1.0514(5) 0.092(5) Uani 1 1 d . U . . .
H31G H 1.0494 0.2073 1.0487 0.138 Uiso 1 1 calc R U . . .
H31H H 1.0612 0.2730 1.0564 0.138 Uiso 1 1 calc R U . . .
H31I H 1.1037 0.2161 1.0701 0.138 Uiso 1 1 calc R U . . .
C313 C 1.1540(7) 0.2110(6) 1.0109(4) 0.064(3) Uani 1 1 d . U . . .
H31J H 1.1824 0.1948 1.0276 0.096 Uiso 1 1 calc R U . . .
H31K H 1.1764 0.2308 0.9890 0.096 Uiso 1 1 calc R U . . .
H31L H 1.1289 0.1769 1.0083 0.096 Uiso 1 1 calc R U . . .
C314 C 1.1213(7) 0.3137(6) 1.0076(5) 0.076(4) Uani 1 1 d D U . . .
H314 H 1.1541 0.3265 0.9905 0.091 Uiso 1 1 calc R U . . .
O13 O 0.1149(9) 0.3416(6) 0.4731(4) 0.0453(15) Uani 0.75 1 d . . P H 1
O14 O 0.1740(15) 0.3664(13) 0.5114(9) 0.0313(14) Uani 0.25 1 d . . P H 1
O17 O 0.1184(15) 0.4021(14) 0.5868(9) 0.0313(14) Uani 0.25 1 d . . P I 1
O19 O 0.1951(16) 0.5035(11) 0.5262(10) 0.0313(14) Uani 0.25 1 d . . P J 1
O20 O 0.0509(15) 0.4122(13) 0.6082(10) 0.0357(14) Uani 0.25 1 d . . P I 1
O23 O -0.0933(19) 0.3745(16) 0.6004(11) 0.0357(14) Uani 0.25 1 d . . P K 1
O25 O -0.0596(15) 0.5162(13) 0.6142(8) 0.0357(14) Uani 0.25 1 d . . P L 1
O27 O 0.1009(6) 0.6826(5) 0.4980(4) 0.0332(15) Uani 0.75 1 d . . P J 1
O28 O 0.1351(6) 0.6545(4) 0.4426(3) 0.0332(15) Uani 0.75 1 d . . P J 1
O30 O 0.1796(5) 0.6031(4) 0.4972(3) 0.0332(15) Uani 0.75 1 d . . P J 1
O32 O -0.0707(6) 0.6083(4) 0.5798(3) 0.0453(15) Uani 0.75 1 d . . P L 1
O33 O -0.0051(4) 0.6856(3) 0.5312(2) 0.0453(15) Uani 1 1 d . . . L 1
O36 O -0.0190(11) 0.4581(8) 0.5647(8) 0.027(3) Uani 0.25 1 d . . P M 1
O81 O 0.5456(19) -0.1955(14) 0.9911(10) 0.0413(14) Uani 0.25 1 d . . P N 1
O84 O 0.3986(14) -0.0198(11) 0.9698(9) 0.0413(14) Uani 0.25 1 d . . P O 1
O85 O 0.4697(14) 0.1099(11) 0.9557(9) 0.0413(14) Uani 0.25 1 d . . P P 1
C29 C 0.3446(12) 0.2685(9) 0.3444(6) 0.065(8) Uiso 0.5 1 d D . P Q 1
C30 C 0.3318(17) 0.2825(15) 0.3053(9) 0.089(10) Uiso 0.5 1 d D . P Q 1
H30A H 0.2886 0.2766 0.3039 0.133 Uiso 0.5 1 calc R U P Q 1
H30B H 0.3440 0.3253 0.2938 0.133 Uiso 0.5 1 calc R U P Q 1
H30C H 0.3549 0.2542 0.2942 0.133 Uiso 0.5 1 calc R U P Q 1
C31 C 0.3253(18) 0.1978(13) 0.3631(10) 0.091(11) Uiso 0.5 1 d D . P Q 1
H31A H 0.2825 0.1911 0.3611 0.136 Uiso 0.5 1 calc R U P Q 1
H31B H 0.3496 0.1699 0.3523 0.136 Uiso 0.5 1 calc R U P Q 1
H31C H 0.3320 0.1895 0.3871 0.136 Uiso 0.5 1 calc R U P Q 1
C32 C 0.4146(19) 0.277(2) 0.3481(14) 0.15(2) Uiso 0.5 1 d D . P Q 1
H32A H 0.4208 0.2686 0.3723 0.225 Uiso 0.5 1 calc R U P Q 1
H32B H 0.4384 0.2491 0.3374 0.225 Uiso 0.5 1 calc R U P Q 1
H32C H 0.4275 0.3203 0.3370 0.225 Uiso 0.5 1 calc R U P Q 1
C42 C 0.3822(10) 0.6467(11) 0.2593(7) 0.065(3) Uani 0.5 1 d D . P R 1
H42A H 0.3710 0.6756 0.2735 0.097 Uiso 0.5 1 calc R U P R 1
H42B H 0.4107 0.6167 0.2705 0.097 Uiso 0.5 1 calc R U P R 1
H42C H 0.4012 0.6698 0.2371 0.097 Uiso 0.5 1 calc R U P R 1
C43 C 0.2860(11) 0.6648(9) 0.2340(7) 0.065(3) Uani 0.5 1 d D . P R 1
H43A H 0.2794 0.6971 0.2464 0.097 Uiso 0.5 1 calc R U P R 1
H43B H 0.3073 0.6827 0.2115 0.097 Uiso 0.5 1 calc R U P R 1
H43C H 0.2470 0.6473 0.2314 0.097 Uiso 0.5 1 calc R U P R 1
C44 C 0.3324(14) 0.5650(9) 0.2332(6) 0.065(3) Uani 0.5 1 d D . P R 1
H44A H 0.3578 0.5829 0.2120 0.097 Uiso 0.5 1 calc R U P R 1
H44B H 0.3515 0.5280 0.2459 0.097 Uiso 0.5 1 calc R U P R 1
H44C H 0.2927 0.5536 0.2279 0.097 Uiso 0.5 1 calc R U P R 1
C78 C -0.2079(10) -0.0173(7) 0.5952(6) 0.121(5) Uani 1 1 d . . . S 1
H78A H -0.2429 0.0096 0.5943 0.181 Uiso 1 1 calc R U . S 1
H78B H -0.2216 -0.0607 0.6025 0.181 Uiso 1 1 calc R U . S 1
H78C H -0.1855 -0.0096 0.5725 0.181 Uiso 1 1 calc R U . S 1
C79 C -0.1951(10) -0.0124(7) 0.6568(6) 0.121(5) Uani 1 1 d . . . T 1
H79A H -0.1761 0.0158 0.6679 0.181 Uiso 1 1 calc R U . T 1
H79B H -0.1901 -0.0552 0.6695 0.181 Uiso 1 1 calc R U . T 1
H79C H -0.2382 -0.0036 0.6564 0.181 Uiso 1 1 calc R U . T 1
C130 C 0.1357(7) 0.6481(5) 0.4747(4) 0.0332(15) Uani 0.75 1 d . . P J 1
C131 C -0.0646(8) 0.6512(6) 0.5456(4) 0.0453(15) Uani 0.75 1 d . . P L 1
O13A O 0.121(3) 0.3433(18) 0.4809(13) 0.0453(15) Uani 0.25 1 d . . P H 2
O15 O 0.1672(5) 0.3821(4) 0.5218(3) 0.0313(14) Uani 0.75 1 d . . P H 2
O16 O 0.1338(5) 0.4104(4) 0.5746(3) 0.0313(14) Uani 0.75 1 d . . P H 2
O18 O 0.1926(5) 0.4853(3) 0.5301(3) 0.0313(14) Uani 0.75 1 d . . P H 2
O21 O 0.0246(5) 0.4101(4) 0.6127(3) 0.0357(14) Uani 0.75 1 d . . P I 2
O22 O -0.0809(6) 0.3847(5) 0.6041(4) 0.0357(14) Uani 0.75 1 d . . P I 2
O24 O -0.0572(5) 0.4881(4) 0.6147(3) 0.0357(14) Uani 0.75 1 d . . P I 2
O26 O 0.0896(19) 0.6932(15) 0.5037(12) 0.0332(15) Uani 0.25 1 d . . P J 2
O29 O 0.134(2) 0.6589(14) 0.4300(9) 0.0332(15) Uani 0.25 1 d . . P J 2
O31 O 0.1941(17) 0.5907(12) 0.5075(9) 0.0332(15) Uani 0.25 1 d . . P J 2
O34 O 0.0413(10) 0.4076(8) 0.4686(8) 0.027(3) Uani 0.25 1 d . . P U 2
O37 O 0.0877(10) 0.5909(8) 0.4839(7) 0.027(3) Uani 0.25 1 d . . P V 2
O43 O -0.0721(18) 0.5883(13) 0.5892(10) 0.0453(15) Uani 0.25 1 d . . P L 2
O65 O 0.7073(16) 0.0605(13) 0.9566(9) 0.0373(14) Uani 0.25 1 d . . P W 2
O86 O 0.5959(15) 0.0333(11) 0.9483(9) 0.0413(14) Uani 0.25 1 d . . P X 2
C25 C 0.3660(14) 0.2955(16) 0.3438(8) 0.116(15) Uiso 0.5 1 d D . P Q 2
C26 C 0.3648(19) 0.3145(16) 0.3059(10) 0.101(12) Uiso 0.5 1 d D . P Q 2
H26A H 0.3234 0.3109 0.3004 0.151 Uiso 0.5 1 calc R U P Q 2
H26B H 0.3793 0.3574 0.2972 0.151 Uiso 0.5 1 calc R U P Q 2
H26C H 0.3909 0.2874 0.2954 0.151 Uiso 0.5 1 calc R U P Q 2
C27 C 0.356(3) 0.2268(19) 0.3516(14) 0.15(2) Uiso 0.5 1 d D . P Q 2
H27A H 0.3136 0.2179 0.3488 0.221 Uiso 0.5 1 calc R U P Q 2
H27B H 0.3827 0.2093 0.3361 0.221 Uiso 0.5 1 calc R U P Q 2
H27C H 0.3635 0.2082 0.3751 0.221 Uiso 0.5 1 calc R U P Q 2
C28 C 0.431(2) 0.303(2) 0.3489(14) 0.15(2) Uiso 0.5 1 d D . P Q 2
H28A H 0.4563 0.2857 0.3326 0.224 Uiso 0.5 1 calc R U P Q 2
H28B H 0.4407 0.3469 0.3454 0.224 Uiso 0.5 1 calc R U P Q 2
H28C H 0.4375 0.2808 0.3721 0.224 Uiso 0.5 1 calc R U P Q 2
C45 C 0.3558(12) 0.6745(8) 0.2390(7) 0.065(3) Uani 0.5 1 d D . P R 2
H45A H 0.3774 0.6744 0.2169 0.097 Uiso 0.5 1 calc R U P R 2
H45B H 0.3255 0.7069 0.2361 0.097 Uiso 0.5 1 calc R U P R 2
H45C H 0.3845 0.6826 0.2542 0.097 Uiso 0.5 1 calc R U P R 2
C46 C 0.2817(12) 0.5980(11) 0.2300(6) 0.065(3) Uani 0.5 1 d D . P R 2
H46A H 0.2618 0.5576 0.2400 0.097 Uiso 0.5 1 calc R U P R 2
H46B H 0.2512 0.6301 0.2262 0.097 Uiso 0.5 1 calc R U P R 2
H46C H 0.3046 0.5974 0.2083 0.097 Uiso 0.5 1 calc R U P R 2
C47 C 0.3750(10) 0.5627(9) 0.2543(8) 0.065(3) Uani 0.5 1 d D . P R 2
H47A H 0.3572 0.5212 0.2641 0.097 Uiso 0.5 1 calc R U P R 2
H47B H 0.3924 0.5657 0.2309 0.097 Uiso 0.5 1 calc R U P R 2
H47C H 0.4067 0.5701 0.2679 0.097 Uiso 0.5 1 calc R U P R 2
C77 C -0.1098(10) -0.0474(7) 0.6264(6) 0.121(5) Uani 1 1 d . . . Y 2
H77A H -0.0872 -0.0460 0.6043 0.181 Uiso 1 1 calc R U . Y 2
H77B H -0.1240 -0.0899 0.6371 0.181 Uiso 1 1 calc R U . Y 2
H77C H -0.0835 -0.0334 0.6410 0.181 Uiso 1 1 calc R U . Y 2
C128 C 0.1641(7) 0.4245(5) 0.5418(4) 0.0313(14) Uani 0.75 1 d . . P H 2
C129 C -0.0329(7) 0.4239(5) 0.6089(4) 0.0357(14) Uani 0.75 1 d . . P I 2
O35 O 0.0997(10) 0.4530(8) 0.5263(8) 0.027(3) Uani 0.25 1 d . . P Z 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Cu1 Cl1 159.26(10) . . ?
O1 Cu1 Cl1 85.46(18) . . ?
O1 Cu1 S1 80.09(19) . . ?
O1 Cu1 O13 92.5(5) . . ?
O1 Cu1 O15 173.2(3) . . ?
O2 Cu1 Cl1 85.16(18) . . ?
O2 Cu1 S1 81.56(19) . . ?
O2 Cu1 O1 95.6(3) . . ?
O2 Cu1 O13 170.8(6) . . ?
O2 Cu1 O15 88.8(4) . . ?
O13 Cu1 Cl1 91.1(4) . . ?
O13 Cu1 S1 104.2(5) . . ?
O14 Cu1 Cl1 102.3(10) . . ?
O14 Cu1 S1 95.1(10) . . ?
O14 Cu1 O1 165.9(10) . . ?
O14 Cu1 O2 96.8(10) . . ?
O14 Cu1 O13 75.8(11) . . ?
O13A Cu1 Cl1 92.7(14) . . ?
O13A Cu1 S1 104.8(15) . . ?
O13A Cu1 O1 102.2(14) . . ?
O13A Cu1 O2 161.8(15) . . ?
O13A Cu1 O15 73.1(14) . . ?
O15 Cu1 Cl1 89.8(3) . . ?
O15 Cu1 S1 105.7(3) . . ?
S2 Cu2 Cl1 159.79(12) . . ?
O2 Cu2 Cl1 85.4(2) . . ?
O2 Cu2 S2 81.4(2) . . ?
O2 Cu2 O30 171.3(3) . . ?
O2 Cu2 O18 90.6(3) . . ?
O3 Cu2 Cl1 83.70(19) . . ?
O3 Cu2 S2 82.08(19) . . ?
O3 Cu2 O2 94.2(3) . . ?
O3 Cu2 O30 93.7(3) . . ?
O3 Cu2 O18 172.4(4) . . ?
O19 Cu2 Cl1 94.6(11) . . ?
O19 Cu2 S2 102.7(11) . . ?
O19 Cu2 O2 100.0(9) . . ?
O19 Cu2 O3 165.6(9) . . ?
O19 Cu2 O30 72.0(9) . . ?
O30 Cu2 Cl1 91.7(3) . . ?
O30 Cu2 S2 103.4(3) . . ?
O18 Cu2 Cl1 90.8(3) . . ?
O18 Cu2 S2 104.5(3) . . ?
O31 Cu2 Cl1 103.3(10) . . ?
O31 Cu2 S2 94.4(10) . . ?
O31 Cu2 O2 158.8(9) . . ?
O31 Cu2 O3 105.8(9) . . ?
O31 Cu2 O18 70.3(9) . . ?
Cl1 Cu3 Cu5 104.40(8) . 2_566 ?
S3 Cu3 Cu5 94.23(7) . 2_566 ?
S3 Cu3 Cl1 161.35(10) . . ?
O3 Cu3 Cu5 135.0(2) . 2_566 ?
O3 Cu3 Cl1 84.50(18) . . ?
O3 Cu3 S3 81.60(19) . . ?
O3 Cu3 O28 93.3(4) . . ?
O3 Cu3 O22 173.7(5) . 2_566 ?
O4 Cu3 Cu5 131.3(2) . 2_566 ?
O4 Cu3 Cl1 85.78(18) . . ?
O4 Cu3 S3 82.55(19) . . ?
O4 Cu3 O3 92.8(3) . . ?
O4 Cu3 O28 173.3(4) . . ?
O4 Cu3 O22 91.5(4) . 2_566 ?
O23 Cu3 Cu5 32.5(11) 2_566 2_566 ?
O23 Cu3 Cl1 96.6(12) 2_566 . ?
O23 Cu3 S3 99.7(13) 2_566 . ?
O23 Cu3 O3 167.3(12) 2_566 . ?
O23 Cu3 O4 99.9(12) 2_566 . ?
O23 Cu3 O28 74.0(12) 2_566 . ?
O28 Cu3 Cu5 43.3(3) . 2_566 ?
O28 Cu3 Cl1 92.1(3) . . ?
O28 Cu3 S3 101.0(3) . . ?
O22 Cu3 Cu5 41.9(3) 2_566 2_566 ?
O22 Cu3 Cl1 91.2(3) 2_566 . ?
O22 Cu3 S3 103.6(4) 2_566 . ?
O29 Cu3 Cu5 32.2(12) . 2_566 ?
O29 Cu3 Cl1 102.1(10) . . ?
O29 Cu3 S3 93.1(11) . . ?
O29 Cu3 O3 103.0(12) . . ?
O29 Cu3 O4 162.9(11) . . ?
O29 Cu3 O22 73.4(12) . 2_566 ?
Cl2 Cu4 Cu9 102.82(7) . 2_566 ?
S5 Cu4 Cu9 99.01(8) . 2_566 ?
S5 Cu4 Cl2 158.16(10) . . ?
O5 Cu4 Cu9 129.9(3) . 2_566 ?
O5 Cu4 Cl2 85.16(19) . . ?
O5 Cu4 S5 81.36(17) . . ?
O5 Cu4 O6 95.9(3) . . ?
O5 Cu4 O27 169.6(4) . 2_566 ?
O5 Cu4 O33 90.2(3) . 2_566 ?
O6 Cu4 Cu9 133.77(18) . 2_566 ?
O6 Cu4 Cl2 84.14(17) . . ?
O6 Cu4 S5 80.27(16) . . ?
O6 Cu4 O27 93.4(4) . 2_566 ?
O27 Cu4 Cu9 41.6(4) 2_566 2_566 ?
O27 Cu4 Cl2 91.2(3) 2_566 . ?
O27 Cu4 S5 104.8(3) 2_566 . ?
O33 Cu4 Cu9 41.3(2) 2_566 2_566 ?
O33 Cu4 Cl2 90.4(2) 2_566 . ?
O33 Cu4 S5 106.7(2) 2_566 . ?
O33 Cu4 O6 171.4(3) 2_566 . ?
O33 Cu4 O27 80.1(5) 2_566 2_566 ?
O26 Cu4 Cu9 32.6(14) 2_566 2_566 ?
O26 Cu4 Cl2 99.1(10) 2_566 . ?
O26 Cu4 S5 99.0(10) 2_566 . ?
O26 Cu4 O5 162.5(14) 2_566 . ?
O26 Cu4 O6 101.4(14) 2_566 . ?
Cl2 Cu5 Cu3 103.34(7) . 2_566 ?
S6 Cu5 Cu3 96.61(8) . 2_566 ?
S6 Cu5 Cl2 160.03(9) . . ?
O6 Cu5 Cu3 132.47(18) . 2_566 ?
O6 Cu5 Cl2 86.3(2) . . ?
O6 Cu5 S6 80.9(2) . . ?
O6 Cu5 O7 93.0(3) . . ?
O6 Cu5 O28 92.5(4) . 2_566 ?
O6 Cu5 O22 173.5(4) . . ?
O7 Cu5 Cu3 133.8(2) . 2_566 ?
O7 Cu5 Cl2 84.7(2) . . ?
O7 Cu5 S6 80.75(19) . . ?
O7 Cu5 O28 172.5(3) . 2_566 ?
O7 Cu5 O22 92.8(4) . . ?
O23 Cu5 Cu3 32.2(13) . 2_566 ?
O23 Cu5 Cl2 96.7(13) . . ?
O23 Cu5 S6 99.7(13) . . ?
O23 Cu5 O6 164.6(13) . . ?
O23 Cu5 O7 102.3(13) . . ?
O23 Cu5 O28 72.4(14) . 2_566 ?
O28 Cu5 Cu3 41.9(3) 2_566 2_566 ?
O28 Cu5 Cl2 90.6(3) 2_566 . ?
O28 Cu5 S6 105.1(3) 2_566 . ?
O22 Cu5 Cu3 42.4(4) . 2_566 ?
O22 Cu5 Cl2 91.4(4) . . ?
O22 Cu5 S6 102.9(4) . . ?
O29 Cu5 Cu3 32.2(12) 2_566 2_566 ?
O29 Cu5 Cl2 100.3(11) 2_566 . ?
O29 Cu5 S6 97.1(11) 2_566 . ?
O29 Cu5 O6 100.5(12) 2_566 . ?
O29 Cu5 O7 165.8(13) 2_566 . ?
O29 Cu5 O22 73.9(12) 2_566 . ?
S7 Cu6 Cl2 160.53(8) . . ?
O7 Cu6 Cl2 84.6(2) . . ?
O7 Cu6 S7 82.6(2) . . ?
O7 Cu6 O8 93.0(3) . . ?
O7 Cu6 O16 172.6(3) . . ?
O7 Cu6 O21 90.8(3) . . ?
O8 Cu6 Cl2 84.2(2) . . ?
O8 Cu6 S7 81.9(2) . . ?
O8 Cu6 O16 92.4(4) . . ?
O8 Cu6 O21 174.4(4) . . ?
O17 Cu6 Cl2 99.6(12) . . ?
O17 Cu6 S7 96.8(11) . . ?
O17 Cu6 O7 164.0(13) . . ?
O17 Cu6 O8 102.8(13) . . ?
O17 Cu6 O20 57.9(16) . . ?
O20 Cu6 Cl2 97.3(12) . . ?
O20 Cu6 S7 100.3(12) . . ?
O20 Cu6 O7 106.4(10) . . ?
O20 Cu6 O8 160.6(10) . . ?
O16 Cu6 Cl2 91.0(3) . . ?
O16 Cu6 S7 103.1(3) . . ?
O16 Cu6 O21 83.4(4) . . ?
O21 Cu6 Cl2 92.1(4) . . ?
O21 Cu6 S7 102.7(4) . . ?
S8 Cu7 Cl2 159.13(9) . . ?
O5 Cu7 Cl2 84.6(2) . . ?
O5 Cu7 S8 81.90(18) . . ?
O5 Cu7 O13 90.2(5) . . ?
O5 Cu7 O15 171.6(3) . . ?
O8 Cu7 Cl2 84.8(2) . . ?
O8 Cu7 S8 80.5(2) . . ?
O8 Cu7 O5 94.7(3) . . ?
O8 Cu7 O13 173.5(4) . . ?
O8 Cu7 O15 91.0(4) . . ?
O13 Cu7 Cl2 91.4(5) . . ?
O13 Cu7 S8 104.5(5) . . ?
O14 Cu7 Cl2 103.0(9) . . ?
O14 Cu7 S8 94.8(9) . . ?
O14 Cu7 O5 161.2(11) . . ?
O14 Cu7 O8 103.0(11) . . ?
O14 Cu7 O13 72.7(12) . . ?
O13A Cu7 Cl2 92.0(19) . . ?
O13A Cu7 S8 105.4(18) . . ?
O13A Cu7 O5 97.1(15) . . ?
O13A Cu7 O8 167.4(13) . . ?
O13A Cu7 O15 76.8(15) . . ?
O15 Cu7 Cl2 89.7(3) . . ?
O15 Cu7 S8 105.2(3) . . ?
S9 Cu8 Cl3 159.46(10) . . ?
O9 Cu8 Cl3 83.0(2) . . ?
O9 Cu8 S9 83.7(2) . . ?
O9 Cu8 O10 95.3(3) . . ?
O9 Cu8 O32 172.0(4) . . ?
O9 Cu8 O24 91.4(3) . . ?
O10 Cu8 Cl3 84.1(2) . . ?
O10 Cu8 S9 81.6(2) . . ?
O10 Cu8 O32 90.0(4) . . ?
O10 Cu8 O24 171.5(4) . . ?
O25 Cu8 Cl3 100.7(12) . . ?
O25 Cu8 S9 97.5(12) . . ?
O25 Cu8 O9 102.8(11) . . ?
O25 Cu8 O10 161.7(11) . . ?
O25 Cu8 O32 72.3(11) . . ?
O32 Cu8 Cl3 91.5(4) . . ?
O32 Cu8 S9 103.1(4) . . ?
O24 Cu8 Cl3 91.5(3) . . ?
O24 Cu8 S9 104.4(3) . . ?
O43 Cu8 Cl3 96.8(13) . . ?
O43 Cu8 S9 100.6(13) . . ?
O43 Cu8 O9 162.3(10) . . ?
O43 Cu8 O10 102.3(10) . . ?
O43 Cu8 O24 70.9(10) . . ?
S10 Cu9 Cl3 160.38(10) . . ?
O10 Cu9 Cl3 84.96(17) . . ?
O10 Cu9 S10 82.44(18) . . ?
O10 Cu9 O11 94.0(3) . . ?
O10 Cu9 O27 173.0(4) . . ?
O10 Cu9 O33 92.8(3) . . ?
O11 Cu9 Cl3 84.62(15) . . ?
O11 Cu9 S10 81.33(16) . . ?
O11 Cu9 O27 92.0(4) . . ?
O11 Cu9 O33 172.3(3) . . ?
O27 Cu9 Cl3 91.9(3) . . ?
O27 Cu9 S10 102.2(3) . . ?
O33 Cu9 Cl3 92.4(2) . . ?
O33 Cu9 S10 103.2(2) . . ?
O33 Cu9 O27 81.0(5) . . ?
O26 Cu9 Cl3 100.1(10) . . ?
O26 Cu9 S10 95.7(11) . . ?
O26 Cu9 O10 165.8(13) . . ?
O26 Cu9 O11 99.6(14) . . ?
S11 Cu10 Cl3 159.71(11) . . ?
O11 Cu10 Cl3 85.25(18) . . ?
O11 Cu10 S11 80.52(18) . . ?
O11 Cu10 O12 94.1(3) . . ?
O11 Cu10 O30 93.1(3) . . ?
O11 Cu10 O18 173.1(3) . . ?
O12 Cu10 Cl3 85.5(2) . . ?
O12 Cu10 S11 81.2(2) . . ?
O12 Cu10 O30 171.8(3) . . ?
O12 Cu10 O18 90.3(3) . . ?
O19 Cu10 Cl3 93.3(11) . . ?
O19 Cu10 S11 103.7(11) . . ?
O19 Cu10 O11 167.1(11) . . ?
O19 Cu10 O12 98.6(11) . . ?
O19 Cu10 O30 74.1(11) . . ?
O30 Cu10 Cl3 91.2(3) . . ?
O30 Cu10 S11 103.9(3) . . ?
O18 Cu10 Cl3 89.9(3) . . ?
O18 Cu10 S11 105.4(3) . . ?
O31 Cu10 Cl3 102.3(13) . . ?
O31 Cu10 S11 94.2(13) . . ?
O31 Cu10 O11 98.9(12) . . ?
O31 Cu10 O12 165.3(13) . . ?
O31 Cu10 O18 77.4(12) . . ?
S12 Cu11 Cl3 157.64(9) . . ?
O9 Cu11 Cl3 83.40(19) . . ?
O9 Cu11 S12 80.9(2) . . ?
O9 Cu11 O12 95.6(3) . . ?
O9 Cu11 O16 170.6(4) . . ?
O9 Cu11 O21 91.5(4) . . ?
O12 Cu11 Cl3 85.32(19) . . ?
O12 Cu11 S12 80.4(2) . . ?
O12 Cu11 O16 89.5(3) . . ?
O12 Cu11 O21 171.5(4) . . ?
O17 Cu11 Cl3 97.9(10) . . ?
O17 Cu11 S12 101.8(10) . . ?
O17 Cu11 O9 162.7(11) . . ?
O17 Cu11 O12 101.8(11) . . ?
O20 Cu11 Cl3 94.5(13) . . ?
O20 Cu11 S12 104.6(14) . . ?
O20 Cu11 O9 103.7(13) . . ?
O20 Cu11 O12 160.6(14) . . ?
O20 Cu11 O17 59.0(16) . . ?
O16 Cu11 Cl3 89.2(3) . . ?
O16 Cu11 S12 107.7(3) . . ?
O21 Cu11 Cl3 90.9(3) . . ?
O21 Cu11 S12 105.4(4) . . ?
O21 Cu11 O16 82.9(4) . . ?
S4 Cu12 Cl1 158.59(10) 2_566 2_566 ?
O1 Cu12 Cl1 84.7(2) 2_566 2_566 ?
O1 Cu12 S4 81.5(2) 2_566 2_566 ?
O1 Cu12 O32 90.9(3) 2_566 . ?
O1 Cu12 O24 173.1(4) 2_566 . ?
O4 Cu12 Cl1 83.5(2) 2_566 2_566 ?
O4 Cu12 S4 81.3(2) 2_566 2_566 ?
O4 Cu12 O1 93.8(3) 2_566 2_566 ?
O4 Cu12 O32 171.6(4) 2_566 . ?
O4 Cu12 O24 91.1(3) 2_566 . ?
O25 Cu12 Cl1 100.7(11) . 2_566 ?
O25 Cu12 S4 98.0(11) . 2_566 ?
O25 Cu12 O1 159.4(9) . 2_566 ?
O25 Cu12 O4 106.4(9) . 2_566 ?
O25 Cu12 O32 69.5(10) . . ?
O32 Cu12 Cl1 90.0(4) . 2_566 ?
O32 Cu12 S4 106.4(4) . 2_566 ?
O24 Cu12 Cl1 91.1(3) . 2_566 ?
O24 Cu12 S4 104.1(3) . 2_566 ?
O43 Cu12 Cl1 94.9(13) . 2_566 ?
O43 Cu12 S4 103.8(13) . 2_566 ?
O43 Cu12 O1 101.4(10) . 2_566 ?
O43 Cu12 O4 164.4(10) . 2_566 ?
O43 Cu12 O24 73.4(10) . . ?
S14 Cu13 Cl4 158.73(9) . 2_657 ?
O51 Cu13 Cl4 84.33(18) . 2_657 ?
O51 Cu13 S14 82.15(17) . . ?
O51 Cu13 O52 95.0(3) . . ?
O51 Cu13 O69 170.9(5) . . ?
O51 Cu13 O80 89.9(4) . 2_657 ?
O52 Cu13 Cl4 84.18(18) . 2_657 ?
O52 Cu13 S14 80.73(17) . . ?
O52 Cu13 O69 92.3(5) . . ?
O52 Cu13 O80 172.7(4) . 2_657 ?
O70 Cu13 Cl4 98.4(10) . 2_657 ?
O70 Cu13 S14 98.8(11) . . ?
O70 Cu13 O51 165.5(16) . . ?
O70 Cu13 O52 99.4(17) . . ?
O69 Cu13 Cl4 91.0(3) . 2_657 ?
O69 Cu13 S14 104.5(3) . . ?
O69 Cu13 O80 82.3(6) . 2_657 ?
O80 Cu13 Cl4 90.9(3) 2_657 2_657 ?
O80 Cu13 S14 105.4(3) 2_657 . ?
O81 Cu13 Cl4 93.1(11) 2_657 2_657 ?
O81 Cu13 S14 105.6(11) 2_657 . ?
O81 Cu13 O51 101.7(12) 2_657 . ?
O81 Cu13 O52 162.8(12) 2_657 . ?
O81 Cu13 O70 64(2) 2_657 . ?
S15 Cu14 Cl4 160.34(9) . 2_657 ?
O52 Cu14 Cl4 86.2(2) . 2_657 ?
O52 Cu14 S15 81.3(2) . . ?
O52 Cu14 O53 92.7(3) . . ?
O52 Cu14 O63 173.9(5) . . ?
O52 Cu14 O68 93.9(3) . . ?
O53 Cu14 Cl4 84.4(2) . 2_657 ?
O53 Cu14 S15 81.08(19) . . ?
O53 Cu14 O63 92.2(4) . . ?
O53 Cu14 O68 172.3(2) . . ?
O63 Cu14 Cl4 90.7(4) . 2_657 ?
O63 Cu14 S15 103.0(4) . . ?
O62 Cu14 Cl4 97.2(13) . 2_657 ?
O62 Cu14 S15 98.5(13) . . ?
O62 Cu14 O52 166.3(13) . . ?
O62 Cu14 O53 100.9(13) . . ?
O62 Cu14 O68 72.8(14) . . ?
O68 Cu14 Cl4 92.0(2) . 2_657 ?
O68 Cu14 S15 103.9(2) . . ?
Cl5 Cu15 Cu19 104.90(8) . 2_657 ?
S17 Cu15 Cu19 95.12(8) . 2_657 ?
S17 Cu15 Cl5 159.98(10) . . ?
O54 Cu15 Cu19 132.6(2) . 2_657 ?
O54 Cu15 Cl5 83.0(2) . . ?
O54 Cu15 S17 83.4(2) . . ?
O54 Cu15 O66 170.5(4) . 2_657 ?
O54 Cu15 O82 91.1(3) . 2_657 ?
O55 Cu15 Cu19 133.74(17) . 2_657 ?
O55 Cu15 Cl5 83.9(2) . . ?
O55 Cu15 S17 82.2(2) . . ?
O55 Cu15 O54 93.2(3) . . ?
O55 Cu15 O66 92.1(3) . 2_657 ?
O55 Cu15 O82 173.0(4) . 2_657 ?
O66 Cu15 Cu19 43.9(3) 2_657 2_657 ?
O66 Cu15 Cl5 89.6(3) 2_657 . ?
O66 Cu15 S17 105.2(3) 2_657 . ?
O83 Cu15 Cu19 28.7(9) 2_657 2_657 ?
O83 Cu15 Cl5 104.3(13) 2_657 . ?
O83 Cu15 S17 93.2(13) 2_657 . ?
O83 Cu15 O54 104.0(9) 2_657 . ?
O83 Cu15 O55 161.7(10) 2_657 . ?
O83 Cu15 O66 72.0(9) 2_657 2_657 ?
O67 Cu15 Cu19 29.9(10) 2_657 2_657 ?
O67 Cu15 Cl5 101.3(12) 2_657 . ?
O67 Cu15 S17 96.1(12) 2_657 . ?
O67 Cu15 O54 162.5(10) 2_657 . ?
O67 Cu15 O55 104.1(10) 2_657 . ?
O67 Cu15 O82 72.0(10) 2_657 2_657 ?
O82 Cu15 Cu19 43.2(3) 2_657 2_657 ?
O82 Cu15 Cl5 91.0(4) 2_657 . ?
O82 Cu15 S17 103.9(4) 2_657 . ?
S18 Cu16 Cl5 159.03(8) . . ?
O55 Cu16 Cl5 84.9(2) . . ?
O55 Cu16 S18 80.7(2) . . ?
O55 Cu16 O64 91.4(4) . 2_657 ?
O55 Cu16 O75 172.6(4) . . ?
O56 Cu16 Cl5 84.8(2) . . ?
O56 Cu16 S18 82.0(2) . . ?
O56 Cu16 O55 96.9(3) . . ?
O56 Cu16 O64 169.8(4) . 2_657 ?
O56 Cu16 O75 88.4(4) . . ?
O64 Cu16 Cl5 90.1(3) 2_657 . ?
O64 Cu16 S18 105.3(3) 2_657 . ?
O76 Cu16 Cl5 92.4(16) . . ?
O76 Cu16 S18 104.9(16) . . ?
O76 Cu16 O55 166.8(14) . . ?
O76 Cu16 O56 95.7(14) . . ?
O76 Cu16 O64 75.7(14) . 2_657 ?
O75 Cu16 Cl5 90.6(4) . . ?
O75 Cu16 S18 105.2(4) . . ?
O65 Cu16 Cl5 101.4(11) 2_657 . ?
O65 Cu16 S18 96.4(12) 2_657 . ?
O65 Cu16 O55 101.9(13) 2_657 . ?
O65 Cu16 O56 160.5(12) 2_657 . ?
O65 Cu16 O75 73.3(13) 2_657 . ?
S19 Cu17 Cl5 158.25(11) . . ?
O56 Cu17 Cl5 84.5(2) . . ?
O56 Cu17 S19 82.0(2) . . ?
O56 Cu17 O57 96.6(3) . . ?
O56 Cu17 O71 170.2(3) . . ?
O56 Cu17 O74 88.4(4) . . ?
O57 Cu17 Cl5 84.3(2) . . ?
O57 Cu17 S19 80.4(2) . . ?
O57 Cu17 O71 90.4(3) . . ?
O57 Cu17 O74 171.7(3) . . ?
O72 Cu17 Cl5 101.3(12) . . ?
O72 Cu17 S19 96.6(12) . . ?
O72 Cu17 O56 162.6(11) . . ?
O72 Cu17 O57 100.3(10) . . ?
O72 Cu17 O73 64.0(15) . . ?
O73 Cu17 Cl5 95.2(11) . . ?
O73 Cu17 S19 103.8(10) . . ?
O73 Cu17 O56 99.3(11) . . ?
O73 Cu17 O57 164.0(11) . . ?
O71 Cu17 Cl5 89.4(3) . . ?
O71 Cu17 S19 106.0(3) . . ?
O71 Cu17 O74 83.9(4) . . ?
O74 Cu17 Cl5 89.6(3) . . ?
O74 Cu17 S19 107.0(3) . . ?
S20 Cu18 Cl5 160.21(10) . . ?
O54 Cu18 Cl5 84.45(17) . . ?
O54 Cu18 S20 81.73(17) . . ?
O54 Cu18 O57 95.6(3) . . ?
O54 Cu18 O69 171.4(4) . . ?
O54 Cu18 O80 90.4(4) . 2_657 ?
O57 Cu18 Cl5 85.01(16) . . ?
O57 Cu18 S20 82.32(17) . . ?
O57 Cu18 O69 90.8(5) . . ?
O57 Cu18 O80 172.8(4) . 2_657 ?
O70 Cu18 Cl5 98.0(10) . . ?
O70 Cu18 S20 98.7(10) . . ?
O70 Cu18 O54 166.5(14) . . ?
O70 Cu18 O57 97.9(15) . . ?
O69 Cu18 Cl5 90.5(3) . . ?
O69 Cu18 S20 104.8(3) . . ?
O80 Cu18 Cl5 91.7(3) 2_657 . ?
O80 Cu18 S20 102.5(3) 2_657 . ?
O80 Cu18 O69 82.9(6) 2_657 . ?
O81 Cu18 Cl5 94.5(10) 2_657 . ?
O81 Cu18 S20 102.6(10) 2_657 . ?
O81 Cu18 O54 104.5(13) 2_657 . ?
O81 Cu18 O57 159.7(14) 2_657 . ?
O81 Cu18 O70 62.1(19) 2_657 . ?
S21 Cu19 Cl6 158.05(10) . . ?
O58 Cu19 Cl6 84.8(2) . . ?
O58 Cu19 S21 81.0(2) . . ?
O58 Cu19 O59 95.1(3) . . ?
O58 Cu19 O66 170.3(4) . . ?
O58 Cu19 O82 91.8(3) . . ?
O59 Cu19 Cl6 83.8(2) . . ?
O59 Cu19 S21 80.8(2) . . ?
O59 Cu19 O66 91.4(3) . . ?
O59 Cu19 O82 170.1(4) . . ?
O66 Cu19 Cl6 88.8(3) . . ?
O66 Cu19 S21 107.1(3) . . ?
O83 Cu19 Cl6 102.0(14) . . ?
O83 Cu19 S21 97.0(14) . . ?
O83 Cu19 O58 100.6(11) . . ?
O83 Cu19 O59 163.7(11) . . ?
O83 Cu19 O66 73.6(11) . . ?
O67 Cu19 Cl6 99.7(12) . . ?
O67 Cu19 S21 98.8(12) . . ?
O67 Cu19 O58 162.4(9) . . ?
O67 Cu19 O59 102.3(10) . . ?
O67 Cu19 O82 71.4(10) . . ?
O82 Cu19 Cl6 89.6(4) . . ?
O82 Cu19 S21 107.4(4) . . ?
S22 Cu20 Cl6 159.99(11) . . ?
O59 Cu20 Cl6 86.2(2) . . ?
O59 Cu20 S22 80.9(2) . . ?
O59 Cu20 O63 92.4(4) . . ?
O60 Cu20 Cl6 84.63(18) . . ?
O60 Cu20 S22 81.40(19) . . ?
O60 Cu20 O59 95.3(3) . . ?
O60 Cu20 O63 170.8(5) . . ?
O63 Cu20 Cl6 90.9(3) . . ?
O63 Cu20 S22 104.8(4) . . ?
O62 Cu20 Cl6 96.8(12) . . ?
O62 Cu20 S22 100.3(13) . . ?
O62 Cu20 O59 99.0(13) . . ?
O62 Cu20 O60 165.8(12) . . ?
O62 Cu20 O68 73.2(13) . . ?
O68 Cu20 Cl6 92.6(2) . . ?
O68 Cu20 S22 102.3(2) . . ?
O68 Cu20 O59 171.9(3) . . ?
O68 Cu20 O60 92.6(3) . . ?
S23 Cu21 Cl6 159.43(12) . . ?
O60 Cu21 Cl6 83.8(2) . . ?
O60 Cu21 S23 82.8(2) . . ?
O60 Cu21 O61 93.1(3) . . ?
O60 Cu21 O71 89.3(4) . . ?
O60 Cu21 O74 170.6(4) . . ?
O61 Cu21 Cl6 84.53(19) . . ?
O61 Cu21 S23 80.73(19) . . ?
O61 Cu21 O71 173.4(4) . . ?
O61 Cu21 O74 94.4(3) . . ?
O72 Cu21 Cl6 101.8(11) . . ?
O72 Cu21 S23 95.9(11) . . ?
O72 Cu21 O60 100.5(11) . . ?
O72 Cu21 O61 165.5(11) . . ?
O73 Cu21 Cl6 96.4(10) . . ?
O73 Cu21 S23 101.0(10) . . ?
O73 Cu21 O60 163.1(10) . . ?
O73 Cu21 O61 103.8(10) . . ?
O73 Cu21 O72 62.8(14) . . ?
O71 Cu21 Cl6 89.7(3) . . ?
O71 Cu21 S23 105.7(3) . . ?
O74 Cu21 Cl6 91.3(3) . . ?
O74 Cu21 S23 104.0(3) . . ?
O74 Cu21 O71 82.7(4) . . ?
S24 Cu22 Cl6 160.33(10) . . ?
O58 Cu22 Cl6 85.6(2) . . ?
O58 Cu22 S24 81.3(2) . . ?
O58 Cu22 O79 92.0(3) . . ?
O58 Cu22 O77 172.5(3) . . ?
O61 Cu22 Cl6 84.77(19) . . ?
O61 Cu22 S24 81.6(2) . . ?
O61 Cu22 O58 93.9(3) . . ?
O61 Cu22 O79 171.9(3) . . ?
O61 Cu22 O77 91.9(3) . . ?
O79 Cu22 Cl6 90.3(2) . . ?
O79 Cu22 S24 104.8(2) . . ?
O79 Cu22 O77 81.7(4) . . ?
O78 Cu22 Cl6 101.9(10) . . ?
O78 Cu22 S24 95.3(10) . . ?
O78 Cu22 O58 160.3(10) . . ?
O78 Cu22 O61 104.8(10) . . ?
O78 Cu22 O79 69.9(10) . . ?
O77 Cu22 Cl6 90.2(3) . . ?
O77 Cu22 S24 104.3(3) . . ?
S13 Cu23 Cl4 158.55(10) 2_657 . ?
O50 Cu23 Cl4 83.9(2) 2_657 . ?
O50 Cu23 S13 81.48(19) 2_657 2_657 ?
O50 Cu23 O79 170.5(2) 2_657 . ?
O50 Cu23 O77 90.2(4) 2_657 . ?
O51 Cu23 Cl4 83.6(2) 2_657 . ?
O51 Cu23 S13 82.1(2) 2_657 2_657 ?
O51 Cu23 O50 95.0(3) 2_657 2_657 ?
O51 Cu23 O79 92.8(3) 2_657 . ?
O51 Cu23 O77 172.1(3) 2_657 . ?
O79 Cu23 Cl4 91.6(2) . . ?
O79 Cu23 S13 105.0(2) . 2_657 ?
O79 Cu23 O77 81.5(4) . . ?
O78 Cu23 Cl4 103.0(10) . . ?
O78 Cu23 S13 95.8(10) . 2_657 ?
O78 Cu23 O50 104.0(12) . 2_657 ?
O78 Cu23 O51 160.4(13) . 2_657 ?
O78 Cu23 O79 68.8(12) . . ?
O77 Cu23 Cl4 91.0(3) . . ?
O77 Cu23 S13 104.6(3) . 2_657 ?
S16 Cu24 Cl4 160.40(8) 2_657 . ?
O50 Cu24 Cl4 84.72(19) 2_657 . ?
O50 Cu24 S16 81.55(19) 2_657 2_657 ?
O50 Cu24 O53 93.6(3) 2_657 2_657 ?
O50 Cu24 O64 173.5(4) 2_657 2_657 ?
O50 Cu24 O75 91.1(4) 2_657 . ?
O53 Cu24 Cl4 84.59(19) 2_657 . ?
O53 Cu24 S16 82.39(18) 2_657 2_657 ?
O53 Cu24 O64 91.3(3) 2_657 2_657 ?
O53 Cu24 O75 174.0(4) 2_657 . ?
O64 Cu24 Cl4 91.4(3) 2_657 . ?
O64 Cu24 S16 103.4(3) 2_657 2_657 ?
O76 Cu24 Cl4 95.7(15) . . ?
O76 Cu24 S16 101.0(15) . 2_657 ?
O76 Cu24 O50 103.2(11) . 2_657 ?
O76 Cu24 O53 163.2(11) . 2_657 ?
O76 Cu24 O64 71.9(11) . 2_657 ?
O75 Cu24 Cl4 92.1(4) . . ?
O75 Cu24 S16 102.0(4) . 2_657 ?
O65 Cu24 Cl4 102.9(11) 2_657 . ?
O65 Cu24 S16 94.1(11) 2_657 2_657 ?
O65 Cu24 O50 163.0(11) 2_657 2_657 ?
O65 Cu24 O53 102.2(11) 2_657 2_657 ?
O65 Cu24 O75 73.7(11) 2_657 . ?
Cu14 Cl4 Cu13 74.26(7) 2_657 2_657 ?
Cu23 Cl4 Cu13 74.51(8) . 2_657 ?
Cu23 Cl4 Cu14 117.89(8) . 2_657 ?
Cu24 Cl4 Cu13 117.53(8) . 2_657 ?
Cu24 Cl4 Cu14 74.31(8) . 2_657 ?
Cu24 Cl4 Cu23 74.85(8) . . ?
Cu16 Cl5 Cu15 74.45(9) . . ?
Cu16 Cl5 Cu17 74.78(8) . . ?
Cu16 Cl5 Cu18 117.21(11) . . ?
Cu17 Cl5 Cu15 118.21(11) . . ?
Cu18 Cl5 Cu15 74.08(8) . . ?
Cu18 Cl5 Cu17 74.63(7) . . ?
Cu20 Cl6 Cu19 74.45(9) . . ?
Cu20 Cl6 Cu21 75.08(8) . . ?
Cu20 Cl6 Cu22 117.48(13) . . ?
Cu21 Cl6 Cu19 117.56(13) . . ?
Cu22 Cl6 Cu19 74.03(9) . . ?
Cu22 Cl6 Cu21 74.03(8) . . ?
C154 S13 Cu23 92.0(4) . 2_657 ?
C154 S13 C156 101.9(5) . . ?
C156 S13 Cu23 93.0(3) . 2_657 ?
C160 S14 Cu13 91.7(3) . . ?
C160 S14 C162 101.6(5) . . ?
C162 S14 Cu13 93.3(3) . . ?
C166 S15 Cu14 89.5(3) . . ?
C168 S15 Cu14 92.3(3) . . ?
C168 S15 C166 104.7(5) . . ?
C150 S16 Cu24 92.5(4) . 2_657 ?
C150 S16 C172 104.0(6) . . ?
C172 S16 Cu24 92.4(4) . 2_657 ?
C194 S17 Cu15 92.9(4) . . ?
C194 S17 C196 102.6(5) . . ?
C196 S17 Cu15 90.1(4) . . ?
C200 S18 Cu16 92.4(4) . . ?
C200 S18 C202 101.6(5) . . ?
C202 S18 Cu16 91.1(3) . . ?
C206 S19 Cu17 91.1(3) . . ?
C206 S19 C208 101.0(5) . . ?
C208 S19 Cu17 92.0(3) . . ?
C190 S20 Cu18 92.9(3) . . ?
C212 S20 Cu18 91.3(3) . . ?
C212 S20 C190 103.9(6) . . ?
C234 S21 Cu19 92.6(5) . . ?
C234 S21 C236 103.6(5) . . ?
C236 S21 Cu19 91.7(4) . . ?
C240 S22 Cu20 90.4(4) . . ?
C240 S22 C242 105.6(5) . . ?
C242 S22 Cu20 90.4(4) . . ?
C246 S23 Cu21 90.6(4) . . ?
C248 S23 Cu21 92.6(3) . . ?
C248 S23 C246 102.1(5) . . ?
C230 S24 Cu22 90.6(4) . . ?
C230 S24 C252 103.3(5) . . ?
C252 S24 Cu22 91.3(4) . . ?
Cu24 O50 Cu23 110.8(2) 2_657 2_657 ?
C155 O50 Cu23 122.2(8) . 2_657 ?
C155 O50 Cu24 125.2(7) . 2_657 ?
Cu13 O51 Cu23 112.3(3) . 2_657 ?
C161 O51 Cu13 125.1(6) . . ?
C161 O51 Cu23 122.3(6) . 2_657 ?
Cu14 O52 Cu13 109.2(3) . . ?
C167 O52 Cu13 121.8(7) . . ?
C167 O52 Cu14 126.7(7) . . ?
Cu14 O53 Cu24 110.2(3) . 2_657 ?
C173 O53 Cu14 124.3(6) . . ?
C173 O53 Cu24 122.7(6) . 2_657 ?
Cu18 O54 Cu15 112.5(3) . . ?
C195 O54 Cu15 121.6(7) . . ?
C195 O54 Cu18 124.5(6) . . ?
Cu15 O55 Cu16 110.5(3) . . ?
C201 O55 Cu15 122.6(7) . . ?
C201 O55 Cu16 124.0(6) . . ?
Cu17 O56 Cu16 111.8(3) . . ?
C207 O56 Cu16 123.8(6) . . ?
C207 O56 Cu17 124.4(6) . . ?
Cu18 O57 Cu17 110.8(3) . . ?
C213 O57 Cu17 125.8(6) . . ?
C213 O57 Cu18 121.8(5) . . ?
Cu19 O58 Cu22 110.7(4) . . ?
C235 O58 Cu19 125.4(7) . . ?
C235 O58 Cu22 123.7(6) . . ?
Cu20 O59 Cu19 109.5(4) . . ?
C241 O59 Cu19 125.8(6) . . ?
C241 O59 Cu20 122.3(6) . . ?
Cu21 O60 Cu20 111.8(3) . . ?
C247 O60 Cu20 123.7(6) . . ?
C247 O60 Cu21 124.4(6) . . ?
Cu22 O61 Cu21 109.1(3) . . ?
C253 O61 Cu21 122.7(6) . . ?
C253 O61 Cu22 121.8(5) . . ?
Cu22 O79 Cu23 97.8(3) . . ?
C276 O79 Cu22 130.6(7) . . ?
C276 O79 Cu23 127.4(8) . . ?
C151 C150 S16 122.7(10) . . ?
C151 C150 C155 116.6(12) . . ?
C155 C150 S16 120.3(8) . . ?
C150 C151 H151 116.8 . . ?
C152 C151 C150 126.4(12) . . ?
C152 C151 H151 116.8 . . ?
C151 C152 C153 115.7(10) . . ?
C151 C152 C174 126.6(13) . . ?
C153 C152 C174 117.1(13) . . ?
C152 C153 H153 118.5 . . ?
C154 C153 C152 123.0(12) . . ?
C154 C153 H153 118.5 . . ?
C153 C154 S13 118.5(10) . . ?
C155 C154 S13 121.7(8) . . ?
C155 C154 C153 119.7(12) . . ?
O50 C155 C150 119.7(11) . . ?
O50 C155 C154 121.8(11) . . ?
C154 C155 C150 118.4(10) . . ?
C157 C156 S13 118.9(8) . . ?
C157 C156 C161 122.5(9) . . ?
C161 C156 S13 118.5(6) . . ?
C156 C157 H157 119.3 . . ?
C156 C157 C158 121.3(10) . . ?
C158 C157 H157 119.3 . . ?
C157 C158 C178 121.0(9) . . ?
C159 C158 C157 117.3(7) . . ?
C159 C158 C178 121.7(9) . . ?
C158 C159 H159 119.0 . . ?
C158 C159 C160 122.0(9) . . ?
C160 C159 H159 119.0 . . ?
C159 C160 S14 118.5(7) . . ?
C159 C160 C161 119.2(9) . . ?
C161 C160 S14 122.3(6) . . ?
O51 C161 C156 124.1(8) . . ?
O51 C161 C160 118.4(9) . . ?
C156 C161 C160 117.4(7) . . ?
C163 C162 S14 121.8(8) . . ?
C167 C162 S14 118.5(7) . . ?
C167 C162 C163 119.7(10) . . ?
C162 C163 H163 117.7 . . ?
C164 C163 C162 124.6(9) . . ?
C164 C163 H163 117.7 . . ?
C163 C164 C165 116.4(8) . . ?
C163 C164 C182 118.5(11) . . ?
C165 C164 C182 124.8(12) . . ?
C164 C165 H165 119.4 . . ?
C164 C165 C166 121.2(10) . . ?
C166 C165 H165 119.4 . . ?
C165 C166 S15 115.9(8) . . ?
C167 C166 S15 121.3(6) . . ?
C167 C166 C165 122.7(9) . . ?
O52 C167 C162 124.7(10) . . ?
O52 C167 C166 120.1(9) . . ?
C166 C167 C162 115.1(8) . . ?
C169 C168 S15 120.4(9) . . ?
C169 C168 C173 118.7(10) . . ?
C173 C168 S15 120.9(8) . . ?
C168 C169 H169 117.2 . . ?
C168 C169 C170 125.7(10) . . ?
C170 C169 H169 117.2 . . ?
C169 C170 C171 113.3(11) . . ?
C169 C170 C186 126.1(12) . . ?
C171 C170 C186 120.6(12) . . ?
C170 C171 H171 119.3 . . ?
C172 C171 C170 121.5(12) . . ?
C172 C171 H171 119.3 . . ?
C171 C172 S16 117.6(9) . . ?
C171 C172 C173 123.5(11) . . ?
C173 C172 S16 118.9(8) . . ?
O53 C173 C168 120.5(9) . . ?
O53 C173 C172 122.6(9) . . ?
C172 C173 C168 116.9(9) . . ?
C175 C174 C152 102.7(14) . . ?
C176 C174 C152 116.2(14) . . ?
C176 C174 C175 116.0(18) . . ?
C176 C174 C177 114.1(17) . . ?
C177 C174 C152 105.2(14) . . ?
C177 C174 C175 100.7(15) . . ?
C174 C175 H17A 109.5 . . ?
C174 C175 H17B 109.5 . . ?
C174 C175 H17C 109.5 . . ?
H17A C175 H17B 109.5 . . ?
H17A C175 H17C 109.5 . . ?
H17B C175 H17C 109.5 . . ?
C174 C176 H17D 109.5 . . ?
C174 C176 H17E 109.5 . . ?
C174 C176 H17F 109.5 . . ?
H17D C176 H17E 109.5 . . ?
H17D C176 H17F 109.5 . . ?
H17E C176 H17F 109.5 . . ?
C174 C177 H17G 109.5 . . ?
C174 C177 H17H 109.5 . . ?
C174 C177 H17I 109.5 . . ?
H17G C177 H17H 109.5 . . ?
H17G C177 H17I 109.5 . . ?
H17H C177 H17I 109.5 . . ?
C158 C178 C179 106.6(8) . . ?
C180 C178 C158 109.4(10) . . ?
C180 C178 C179 109.1(12) . . ?
C181 C178 C158 111.0(10) . . ?
C181 C178 C179 110.0(11) . . ?
C181 C178 C180 110.6(11) . . ?
C178 C179 H17J 109.5 . . ?
C178 C179 H17K 109.5 . . ?
C178 C179 H17L 109.5 . . ?
H17J C179 H17K 109.5 . . ?
H17J C179 H17L 109.5 . . ?
H17K C179 H17L 109.5 . . ?
C178 C180 H18A 109.5 . . ?
C178 C180 H18B 109.5 . . ?
C178 C180 H18C 109.5 . . ?
H18A C180 H18B 109.5 . . ?
H18A C180 H18C 109.5 . . ?
H18B C180 H18C 109.5 . . ?
C178 C181 H18D 109.5 . . ?
C178 C181 H18E 109.5 . . ?
C178 C181 H18F 109.5 . . ?
H18D C181 H18E 109.5 . . ?
H18D C181 H18F 109.5 . . ?
H18E C181 H18F 109.5 . . ?
C183 C182 C164 111.5(14) . . ?
C184 C182 C164 113.0(14) . . ?
C184 C182 C183 112.1(13) . . ?
C184 C182 C185 108.1(17) . . ?
C185 C182 C164 111.5(13) . . ?
C185 C182 C183 99.8(16) . . ?
C182 C183 H18G 109.5 . . ?
C182 C183 H18H 109.5 . . ?
C182 C183 H18I 109.5 . . ?
H18G C183 H18H 109.5 . . ?
H18G C183 H18I 109.5 . . ?
H18H C183 H18I 109.5 . . ?
C182 C184 H18J 109.5 . . ?
C182 C184 H18K 109.5 . . ?
C182 C184 H18L 109.5 . . ?
H18J C184 H18K 109.5 . . ?
H18J C184 H18L 109.5 . . ?
H18K C184 H18L 109.5 . . ?
C182 C185 H18M 109.5 . . ?
C182 C185 H18N 109.5 . . ?
C182 C185 H18O 109.5 . . ?
H18M C185 H18N 109.5 . . ?
H18M C185 H18O 109.5 . . ?
H18N C185 H18O 109.5 . . ?
C170 C186 C187 111.7(14) . . ?
C170 C186 C189 112.5(15) . . ?
C187 C186 C189 109.2(13) . . ?
C188 C186 C170 106.2(13) . . ?
C188 C186 C187 109.9(17) . . ?
C188 C186 C189 107.2(15) . . ?
C186 C187 H18P 109.5 . . ?
C186 C187 H18Q 109.5 . . ?
C186 C187 H18R 109.5 . . ?
H18P C187 H18Q 109.5 . . ?
H18P C187 H18R 109.5 . . ?
H18Q C187 H18R 109.5 . . ?
C186 C188 H18S 109.5 . . ?
C186 C188 H18T 109.5 . . ?
C186 C188 H18U 109.5 . . ?
H18S C188 H18T 109.5 . . ?
H18S C188 H18U 109.5 . . ?
H18T C188 H18U 109.5 . . ?
C186 C189 H18V 109.5 . . ?
C186 C189 H18W 109.5 . . ?
C186 C189 H18X 109.5 . . ?
H18V C189 H18W 109.5 . . ?
H18V C189 H18X 109.5 . . ?
H18W C189 H18X 109.5 . . ?
C191 C190 S20 119.0(8) . . ?
C191 C190 C195 122.0(12) . . ?
C195 C190 S20 118.9(9) . . ?
C190 C191 H191 119.3 . . ?
C192 C191 C190 121.3(10) . . ?
C192 C191 H191 119.3 . . ?
C191 C192 C193 120.5(10) . . ?
C191 C192 C214 122.8(11) . . ?
C193 C192 C214 116.6(13) . . ?
C192 C193 H193 120.4 . . ?
C194 C193 C192 119.2(12) . . ?
C194 C193 H193 120.4 . . ?
C193 C194 S17 119.8(10) . . ?
C193 C194 C195 121.3(9) . . ?
C195 C194 S17 118.8(7) . . ?
O54 C195 C190 121.6(11) . . ?
O54 C195 C194 123.0(8) . . ?
C190 C195 C194 115.4(9) . . ?
C197 C196 S17 114.4(9) . . ?
C201 C196 S17 124.2(9) . . ?
C201 C196 C197 121.1(11) . . ?
C196 C197 H197 120.8 . . ?
C196 C197 C198 118.4(12) . . ?
C198 C197 H197 120.8 . . ?
C197 C198 C218 113.0(14) . . ?
C199 C198 C197 116.3(11) . . ?
C199 C198 C218 130.7(14) . . ?
C198 C199 H199 118.4 . . ?
C200 C199 C198 123.2(12) . . ?
C200 C199 H199 118.4 . . ?
C199 C200 S18 118.0(9) . . ?
C199 C200 C201 117.9(12) . . ?
C201 C200 S18 124.1(9) . . ?
C196 C201 O55 119.5(9) . . ?
C196 C201 C200 122.8(11) . . ?
C200 C201 O55 117.4(11) . . ?
C203 C202 S18 117.8(8) . . ?
C203 C202 C207 120.4(9) . . ?
C207 C202 S18 121.8(8) . . ?
C202 C203 H203 118.2 . . ?
C202 C203 C204 123.6(11) . . ?
C204 C203 H203 118.2 . . ?
C203 C204 C222 122.3(11) . . ?
C205 C204 C203 112.6(11) . . ?
C205 C204 C222 125.1(9) . . ?
C204 C205 H205 117.0 . . ?
C204 C205 C206 126.0(10) . . ?
C206 C205 H205 117.0 . . ?
C205 C206 S19 119.5(8) . . ?
C207 C206 S19 122.4(8) . . ?
C207 C206 C205 118.1(10) . . ?
O56 C207 C202 121.1(9) . . ?
O56 C207 C206 120.1(9) . . ?
C202 C207 C206 118.8(9) . . ?
C209 C208 S19 117.1(8) . . ?
C213 C208 S19 121.6(6) . . ?
C213 C208 C209 121.3(8) . . ?
C208 C209 H209 119.2 . . ?
C210 C209 C208 121.6(10) . . ?
C210 C209 H209 119.2 . . ?
C209 C210 C226 121.4(12) . . ?
C211 C210 C209 117.3(9) . . ?
C211 C210 C226 121.3(11) . . ?
C210 C211 H211 118.9 . . ?
C210 C211 C212 122.1(8) . . ?
C212 C211 H211 118.9 . . ?
C211 C212 S20 119.0(7) . . ?
C213 C212 S20 120.7(7) . . ?
C213 C212 C211 120.0(10) . . ?
O57 C213 C208 119.3(7) . . ?
O57 C213 C212 123.2(9) . . ?
C212 C213 C208 117.4(8) . . ?
C192 C214 C215 108.2(15) . . ?
C216 C214 C192 105.7(16) . . ?
C216 C214 C215 110.5(16) . . ?
C217 C214 C192 110.1(14) . . ?
C217 C214 C215 113.2(19) . . ?
C217 C214 C216 109(2) . . ?
C214 C215 H21A 109.5 . . ?
C214 C215 H21B 109.5 . . ?
C214 C215 H21C 109.5 . . ?
H21A C215 H21B 109.5 . . ?
H21A C215 H21C 109.5 . . ?
H21B C215 H21C 109.5 . . ?
C214 C216 H21D 109.5 . . ?
C214 C216 H21E 109.5 . . ?
C214 C216 H21F 109.5 . . ?
H21D C216 H21E 109.5 . . ?
H21D C216 H21F 109.5 . . ?
H21E C216 H21F 109.5 . . ?
C214 C217 H21G 109.5 . . ?
C214 C217 H21H 109.5 . . ?
C214 C217 H21I 109.5 . . ?
H21G C217 H21H 109.5 . . ?
H21G C217 H21I 109.5 . . ?
H21H C217 H21I 109.5 . . ?
C198 C218 C220 125.1(17) . . ?
C219 C218 C198 103.1(12) . . ?
C219 C218 C220 112.3(16) . . ?
C219 C218 C221 106.8(14) . . ?
C221 C218 C198 105.7(12) . . ?
C221 C218 C220 102.5(12) . . ?
C218 C219 H21J 109.5 . . ?
C218 C219 H21K 109.5 . . ?
C218 C219 H21L 109.5 . . ?
H21J C219 H21K 109.5 . . ?
H21J C219 H21L 109.5 . . ?
H21K C219 H21L 109.5 . . ?
C218 C220 H22A 109.5 . . ?
C218 C220 H22B 109.5 . . ?
C218 C220 H22C 109.5 . . ?
H22A C220 H22B 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C218 C221 H22D 109.5 . . ?
C218 C221 H22E 109.5 . . ?
C218 C221 H22F 109.5 . . ?
H22D C221 H22E 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C204 C222 C223 115.1(10) . . ?
C204 C222 C224 110.2(12) . . ?
C204 C222 C225 109.8(8) . . ?
C223 C222 C224 103.6(11) . . ?
C223 C222 C225 111.6(12) . . ?
C225 C222 C224 106.1(10) . . ?
C222 C223 H22G 109.5 . . ?
C222 C223 H22H 109.5 . . ?
C222 C223 H22I 109.5 . . ?
H22G C223 H22H 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C222 C224 H22J 109.5 . . ?
C222 C224 H22K 109.5 . . ?
C222 C224 H22L 109.5 . . ?
H22J C224 H22K 109.5 . . ?
H22J C224 H22L 109.5 . . ?
H22K C224 H22L 109.5 . . ?
C222 C225 H22M 109.5 . . ?
C222 C225 H22N 109.5 . . ?
C222 C225 H22O 109.5 . . ?
H22M C225 H22N 109.5 . . ?
H22M C225 H22O 109.5 . . ?
H22N C225 H22O 109.5 . . ?
C210 C226 C228 107.5(14) . . ?
C227 C226 C210 112.7(15) . . ?
C227 C226 C228 107(2) . . ?
C229 C226 C210 109(2) . . ?
C229 C226 C227 110.9(18) . . ?
C229 C226 C228 109.7(18) . . ?
C226 C227 H22P 109.5 . . ?
C226 C227 H22Q 109.5 . . ?
C226 C227 H22R 109.5 . . ?
H22P C227 H22Q 109.5 . . ?
H22P C227 H22R 109.5 . . ?
H22Q C227 H22R 109.5 . . ?
C226 C228 H22S 109.5 . . ?
C226 C228 H22T 109.5 . . ?
C226 C228 H22U 109.5 . . ?
H22S C228 H22T 109.5 . . ?
H22S C228 H22U 109.5 . . ?
H22T C228 H22U 109.5 . . ?
C226 C229 H22V 109.5 . . ?
C226 C229 H22W 109.5 . . ?
C226 C229 H22X 109.5 . . ?
H22V C229 H22W 109.5 . . ?
H22V C229 H22X 109.5 . . ?
H22W C229 H22X 109.5 . . ?
C231 C230 S24 117.8(9) . . ?
C235 C230 S24 124.2(10) . . ?
C235 C230 C231 118.0(11) . . ?
C230 C231 H231 116.3 . . ?
C230 C231 C232 127.4(11) . . ?
C232 C231 H231 116.3 . . ?
C233 C232 C231 107.8(13) . . ?
C233 C232 C254 129.5(18) . . ?
C254 C232 C231 122.1(17) . . ?
C232 C233 H233 116.4 . . ?
C232 C233 C234 127.1(14) . . ?
C234 C233 H233 116.4 . . ?
C233 C234 S21 119.9(10) . . ?
C235 C234 S21 119.7(9) . . ?
C235 C234 C233 120.5(11) . . ?
O58 C235 C230 120.0(11) . . ?
O58 C235 C234 121.2(10) . . ?
C230 C235 C234 118.8(11) . . ?
C237 C236 S21 117.0(8) . . ?
C237 C236 C241 123.3(9) . . ?
C241 C236 S21 119.6(9) . . ?
C236 C237 H237 118.7 . . ?
C236 C237 C238 122.6(11) . . ?
C238 C237 H237 118.7 . . ?
C239 C238 C237 114.8(11) . . ?
C239 C238 C258 121.2(12) . . ?
C258 C238 C237 124.1(13) . . ?
C238 C239 H239 118.2 . . ?
C238 C239 C240 123.7(9) . . ?
C240 C239 H239 118.2 . . ?
C239 C240 S22 118.3(7) . . ?
C241 C240 S22 122.1(10) . . ?
C241 C240 C239 119.5(10) . . ?
O59 C241 C236 120.8(9) . . ?
O59 C241 C240 123.1(11) . . ?
C240 C241 C236 116.0(12) . . ?
C243 C242 S22 115.6(8) . . ?
C247 C242 S22 123.7(8) . . ?
C247 C242 C243 120.3(10) . . ?
C242 C243 H243 119.4 . . ?
C244 C243 C242 121.1(11) . . ?
C244 C243 H243 119.4 . . ?
C243 C244 C245 116.4(10) . . ?
C243 C244 C262 123.6(13) . . ?
C245 C244 C262 119.5(12) . . ?
C244 C245 H245 119.4 . . ?
C246 C245 C244 121.1(11) . . ?
C246 C245 H245 119.4 . . ?
C245 C246 S23 116.8(9) . . ?
C245 C246 C247 123.4(11) . . ?
C247 C246 S23 119.7(8) . . ?
O60 C247 C242 120.6(9) . . ?
O60 C247 C246 122.3(9) . . ?
C242 C247 C246 116.9(8) . . ?
C249 C248 S23 118.8(8) . . ?
C249 C248 C253 122.5(10) . . ?
C253 C248 S23 117.5(9) . . ?
C248 C249 H249 117.7 . . ?
C248 C249 C250 124.6(11) . . ?
C250 C249 H249 117.7 . . ?
C249 C250 C266 125.2(11) . . ?
C251 C250 C249 112.0(11) . . ?
C251 C250 C266 122.7(11) . . ?
C250 C251 H251 117.8 . . ?
C252 C251 C250 124.4(11) . . ?
C252 C251 H251 117.8 . . ?
C251 C252 S24 118.1(8) . . ?
C251 C252 C253 121.5(10) . . ?
C253 C252 S24 119.8(8) . . ?
O61 C253 C248 123.2(9) . . ?
O61 C253 C252 122.5(9) . . ?
C252 C253 C248 113.7(10) . . ?
C232 C254 C255 109.3(19) . . ?
C232 C254 C256 110(2) . . ?
C232 C254 C257 111.5(19) . . ?
C255 C254 C256 105.0(18) . . ?
C257 C254 C255 114(2) . . ?
C257 C254 C256 107.1(19) . . ?
C254 C256 H25A 109.5 . . ?
C254 C256 H25B 109.5 . . ?
C254 C256 H25C 109.5 . . ?
H25A C256 H25B 109.5 . . ?
H25A C256 H25C 109.5 . . ?
H25B C256 H25C 109.5 . . ?
C254 C257 H25D 109.5 . . ?
C254 C257 H25E 109.5 . . ?
C254 C257 H25F 109.5 . . ?
H25D C257 H25E 109.5 . . ?
H25D C257 H25F 109.5 . . ?
H25E C257 H25F 109.5 . . ?
C238 C258 C259 108.6(18) . . ?
C238 C258 C260 110.0(16) . . ?
C238 C258 C261 118.4(18) . . ?
C260 C258 C259 100.6(18) . . ?
C261 C258 C259 105.0(18) . . ?
C261 C258 C260 112.6(19) . . ?
C258 C259 H25G 109.5 . . ?
C258 C259 H25H 109.5 . . ?
C258 C259 H25I 109.5 . . ?
H25G C259 H25H 109.5 . . ?
H25G C259 H25I 109.5 . . ?
H25H C259 H25I 109.5 . . ?
C258 C260 H26D 109.5 . . ?
C258 C260 H26E 109.5 . . ?
C258 C260 H26F 109.5 . . ?
H26D C260 H26E 109.5 . . ?
H26D C260 H26F 109.5 . . ?
H26E C260 H26F 109.5 . . ?
C258 C261 H26G 109.5 . . ?
C258 C261 H26H 109.5 . . ?
C258 C261 H26I 109.5 . . ?
H26G C261 H26H 109.5 . . ?
H26G C261 H26I 109.5 . . ?
H26H C261 H26I 109.5 . . ?
C263 C262 C244 109.9(14) . . ?
C264 C262 C244 106.3(16) . . ?
C264 C262 C263 104.5(14) . . ?
C265 C262 C244 111.3(14) . . ?
C265 C262 C263 108.5(17) . . ?
C265 C262 C264 116.0(18) . . ?
C262 C263 H26J 109.5 . . ?
C262 C263 H26K 109.5 . . ?
C262 C263 H26L 109.5 . . ?
H26J C263 H26K 109.5 . . ?
H26J C263 H26L 109.5 . . ?
H26K C263 H26L 109.5 . . ?
C262 C264 H26M 109.5 . . ?
C262 C264 H26N 109.5 . . ?
C262 C264 H26O 109.5 . . ?
H26M C264 H26N 109.5 . . ?
H26M C264 H26O 109.5 . . ?
H26N C264 H26O 109.5 . . ?
C262 C265 H26P 109.5 . . ?
C262 C265 H26Q 109.5 . . ?
C262 C265 H26R 109.5 . . ?
H26P C265 H26Q 109.5 . . ?
H26P C265 H26R 109.5 . . ?
H26Q C265 H26R 109.5 . . ?
C250 C266 C268 114.7(15) . . ?
C250 C266 C269 108.2(17) . . ?
C270 C266 C250 111.1(14) . . ?
C270 C266 C268 106.1(16) . . ?
C270 C266 C272 106.6(15) . . ?
C272 C266 C250 109.4(16) . . ?
C272 C266 C268 109(2) . . ?
C267 C266 C250 112.2(17) . . ?
C267 C266 C269 106.2(16) . . ?
C267 C266 C271 103.3(15) . . ?
C271 C266 C250 120.8(15) . . ?
C271 C266 C269 105.1(15) . . ?
Cu14 O63 Cu20 94.1(4) . . ?
C273 O63 Cu14 131.5(11) . . ?
C273 O63 Cu20 129.4(9) . . ?
Cu16 O64 Cu24 94.0(5) 2_657 2_657 ?
C273 O64 Cu16 130.2(7) . 2_657 ?
C273 O64 Cu24 129.5(9) . 2_657 ?
Cu15 O66 Cu19 92.7(4) 2_657 . ?
C273 O66 Cu15 129.5(9) . 2_657 ?
C273 O66 Cu19 132.8(9) . . ?
Cu13 O70 Cu18 112(2) . . ?
Cu17 O72 Cu21 117.8(16) . . ?
Cu21 O73 Cu17 114.6(14) . . ?
Cu16 O76 Cu24 114(2) . . ?
Cu22 O78 Cu23 122.4(19) . . ?
Cu19 O83 Cu15 120.4(16) . 2_657 ?
C266 C268 H26S 109.5 . . ?
C266 C268 H26T 109.5 . . ?
C266 C268 H26U 109.5 . . ?
H26S C268 H26T 109.5 . . ?
H26S C268 H26U 109.5 . . ?
H26T C268 H26U 109.5 . . ?
C266 C270 H27D 109.5 . . ?
C266 C270 H27E 109.5 . . ?
C266 C270 H27F 109.5 . . ?
H27D C270 H27E 109.5 . . ?
H27D C270 H27F 109.5 . . ?
H27E C270 H27F 109.5 . . ?
C266 C272 H27G 109.5 . . ?
C266 C272 H27H 109.5 . . ?
C266 C272 H27I 109.5 . . ?
H27G C272 H27H 109.5 . . ?
H27G C272 H27I 109.5 . . ?
H27H C272 H27I 109.5 . . ?
O64 C273 O63 119.3(12) . . ?
O66 C273 O63 118.8(12) . . ?
O66 C273 O64 121.5(11) . . ?
Cu14 O62 Cu20 111.6(18) . . ?
Cu19 O67 Cu15 119.1(16) . 2_657 ?
Cu20 O68 Cu14 99.2(3) . . ?
C274 O68 Cu14 127.6(8) . . ?
C274 O68 Cu20 127.6(7) . . ?
Cu13 O69 Cu18 94.9(6) . . ?
C274 O69 Cu13 131.2(12) . . ?
C274 O69 Cu18 128.1(11) . . ?
Cu17 O71 Cu21 93.1(4) . . ?
C274 O71 Cu17 129.6(11) . . ?
C274 O71 Cu21 132.0(10) . . ?
Cu17 O74 Cu21 92.8(3) . . ?
C275 O74 Cu17 133.1(11) . . ?
C275 O74 Cu21 127.5(11) . . ?
Cu24 O75 Cu16 93.8(5) . . ?
C275 O75 Cu16 127.6(9) . . ?
C275 O75 Cu24 130.3(9) . . ?
Cu22 O77 Cu23 92.8(4) . . ?
C275 O77 Cu22 129.0(8) . . ?
C275 O77 Cu23 130.8(10) . . ?
Cu18 O80 Cu13 93.7(5) 2_657 2_657 ?
C276 O80 Cu13 130.6(11) . 2_657 ?
C276 O80 Cu18 129.3(10) . 2_657 ?
Cu15 O82 Cu19 95.4(4) 2_657 . ?
C276 O82 Cu15 129.5(9) . 2_657 ?
C276 O82 Cu19 130.5(9) . . ?
C266 C267 H26V 109.5 . . ?
C266 C267 H26W 109.5 . . ?
C266 C267 H26X 109.5 . . ?
H26V C267 H26W 109.5 . . ?
H26V C267 H26X 109.5 . . ?
H26W C267 H26X 109.5 . . ?
C266 C269 H26Y 109.5 . . ?
C266 C269 H 109.5 . . ?
C266 C269 HA 109.5 . . ?
H26Y C269 H 109.5 . . ?
H26Y C269 HA 109.5 . . ?
H C269 HA 109.5 . . ?
C266 C271 H27J 109.5 . . ?
C266 C271 H27K 109.5 . . ?
C266 C271 H27L 109.5 . . ?
H27J C271 H27K 109.5 . . ?
H27J C271 H27L 109.5 . . ?
H27K C271 H27L 109.5 . . ?
O69 C274 O68 118.5(12) . . ?
O71 C274 O68 118.1(12) . . ?
O71 C274 O69 123.2(15) . . ?
O74 C275 O75 119.4(13) . . ?
O74 C275 O77 123.4(15) . . ?
O77 C275 O75 117.2(11) . . ?
O80 C276 O79 120.3(13) . . ?
O80 C276 O82 121.6(13) . . ?
O82 C276 O79 117.4(11) . . ?
Cu1 Cl1 Cu12 74.23(8) . 2_566 ?
Cu2 Cl1 Cu1 74.44(8) . . ?
Cu2 Cl1 Cu12 117.39(12) . 2_566 ?
Cu3 Cl1 Cu1 117.39(12) . . ?
Cu3 Cl1 Cu2 74.42(7) . . ?
Cu3 Cl1 Cu12 74.25(9) . 2_566 ?
Cu4 Cl2 Cu7 74.47(8) . . ?
Cu5 Cl2 Cu4 74.54(7) . . ?
Cu5 Cl2 Cu6 74.27(9) . . ?
Cu5 Cl2 Cu7 117.84(8) . . ?
Cu6 Cl2 Cu4 117.57(8) . . ?
Cu6 Cl2 Cu7 74.65(8) . . ?
Cu9 Cl3 Cu8 74.54(8) . . ?
Cu9 Cl3 Cu11 118.04(11) . . ?
Cu10 Cl3 Cu8 117.97(11) . . ?
Cu10 Cl3 Cu9 74.44(7) . . ?
Cu10 Cl3 Cu11 74.74(8) . . ?
Cu11 Cl3 Cu8 74.77(9) . . ?
C5 S1 Cu1 93.8(4) . . ?
C5 S1 C7 98.3(5) . . ?
C7 S1 Cu1 92.1(3) . . ?
C11 S2 Cu2 89.5(4) . . ?
C13 S2 Cu2 90.9(4) . . ?
C13 S2 C11 103.7(6) . . ?
C17 S3 Cu3 92.1(4) . . ?
C17 S3 C19 105.8(5) . . ?
C19 S3 Cu3 90.3(4) . . ?
C1 S4 Cu12 90.1(4) . 2_566 ?
C23 S4 Cu12 93.1(4) . 2_566 ?
C23 S4 C1 102.8(5) . . ?
C52 S5 Cu4 91.5(3) . . ?
C52 S5 C54 98.7(5) . . ?
C54 S5 Cu4 92.8(3) . . ?
C58 S6 Cu5 91.2(4) . . ?
C58 S6 C60 103.7(5) . . ?
C60 S6 Cu5 93.7(3) . . ?
C64 S7 Cu6 91.1(3) . . ?
C64 S7 C66 106.0(4) . . ?
C66 S7 Cu6 91.3(3) . . ?
C48 S8 Cu7 91.6(3) . . ?
C70 S8 Cu7 92.1(3) . . ?
C70 S8 C48 101.4(5) . . ?
C92 S9 Cu8 91.6(4) . . ?
C94 S9 Cu8 93.2(4) . . ?
C94 S9 C92 100.8(4) . . ?
C98 S10 Cu9 91.7(3) . . ?
C98 S10 C100 104.8(6) . . ?
C100 S10 Cu9 92.1(3) . . ?
C104 S11 Cu10 91.2(3) . . ?
C104 S11 C106 103.3(5) . . ?
C106 S11 Cu10 92.4(3) . . ?
C88 S12 Cu11 94.4(4) . . ?
C88 S12 C110 101.1(5) . . ?
C110 S12 Cu11 92.2(4) . . ?
Cu12 O1 Cu1 109.4(3) 2_566 . ?
C6 O1 Cu1 125.3(6) . . ?
C6 O1 Cu12 123.2(7) . 2_566 ?
Cu2 O2 Cu1 110.6(3) . . ?
C12 O2 Cu1 123.8(6) . . ?
C12 O2 Cu2 125.6(6) . . ?
Cu2 O3 Cu3 110.1(3) . . ?
C18 O3 Cu2 121.3(6) . . ?
C18 O3 Cu3 122.6(5) . . ?
Cu3 O4 Cu12 110.9(3) . 2_566 ?
C24 O4 Cu3 123.5(5) . . ?
C24 O4 Cu12 124.7(6) . 2_566 ?
Cu4 O5 Cu7 111.3(2) . . ?
C53 O5 Cu4 126.3(6) . . ?
C53 O5 Cu7 122.4(6) . . ?
Cu5 O6 Cu4 108.8(2) . . ?
C59 O6 Cu4 123.3(6) . . ?
C59 O6 Cu5 125.8(6) . . ?
Cu6 O7 Cu5 110.2(3) . . ?
C65 O7 Cu5 124.5(6) . . ?
C65 O7 Cu6 123.2(6) . . ?
Cu7 O8 Cu6 109.7(3) . . ?
C71 O8 Cu6 120.4(7) . . ?
C71 O8 Cu7 126.7(7) . . ?
Cu8 O9 Cu11 112.8(4) . . ?
C93 O9 Cu8 120.7(6) . . ?
C93 O9 Cu11 124.8(6) . . ?
Cu9 O10 Cu8 111.3(3) . . ?
C99 O10 Cu8 122.5(7) . . ?
C99 O10 Cu9 125.8(6) . . ?
Cu10 O11 Cu9 108.6(3) . . ?
C105 O11 Cu9 122.9(5) . . ?
C105 O11 Cu10 123.6(6) . . ?
Cu11 O12 Cu10 109.7(3) . . ?
C111 O12 Cu10 123.3(6) . . ?
C111 O12 Cu11 127.0(6) . . ?
C300 N100 C301 124(2) . . ?
C300 N100 C302 118.3(16) . . ?
C302 N100 C301 116.6(14) . . ?
C304 N101 C303 118.8(13) . . ?
C305 N101 C303 121.3(14) . . ?
C305 N101 C304 119.1(14) . . ?
C307 N102 C306 120.3(12) . . ?
C307 N102 C308 123.0(13) . . ?
C308 N102 C306 116.4(13) . . ?
C309 N103 C310 112.9(18) . . ?
C311 N103 C309 113.5(16) . . ?
C311 N103 C310 133.5(17) . . ?
C313 N104 C312 120.6(12) . . ?
C314 N104 C312 115.0(14) . . ?
C314 N104 C313 124.1(15) . . ?
C2 C1 S4 114.3(10) . . ?
C6 C1 S4 122.1(8) . . ?
C6 C1 C2 123.5(10) . . ?
C1 C2 H2 120.9 . . ?
C1 C2 C3 118.3(14) . . ?
C3 C2 H2 120.9 . . ?
C2 C3 C29 117.4(16) . . ?
C2 C3 C25 119(2) . . ?
C4 C3 C2 117.6(14) . . ?
C4 C3 C29 122.6(14) . . ?
C4 C3 C25 122.1(19) . . ?
C3 C4 H4 118.5 . . ?
C5 C4 C3 123.0(12) . . ?
C5 C4 H4 118.5 . . ?
C4 C5 S1 120.0(9) . . ?
C4 C5 C6 120.3(12) . . ?
C6 C5 S1 119.3(9) . . ?
O1 C6 C1 122.2(9) . . ?
O1 C6 C5 120.7(11) . . ?
C1 C6 C5 117.0(10) . . ?
C8 C7 S1 119.4(8) . . ?
C12 C7 S1 120.8(9) . . ?
C12 C7 C8 119.7(10) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 C7 121.7(10) . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C10 117.0(11) . . ?
C8 C9 C33 120.0(10) . . ?
C10 C9 C33 123.0(10) . . ?
C9 C10 H10 118.7 . . ?
C11 C10 C9 122.5(11) . . ?
C11 C10 H10 118.7 . . ?
C10 C11 S2 116.2(9) . . ?
C12 C11 S2 125.3(9) . . ?
C12 C11 C10 118.5(10) . . ?
O2 C12 C7 121.6(10) . . ?
O2 C12 C11 118.0(9) . . ?
C11 C12 C7 120.4(11) . . ?
C14 C13 S2 118.5(9) . . ?
C14 C13 C18 120.8(10) . . ?
C18 C13 S2 120.5(8) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(11) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 C37 119.4(12) . . ?
C16 C15 C14 118.6(10) . . ?
C16 C15 C37 121.9(12) . . ?
C15 C16 H16 119.3 . . ?
C15 C16 C17 121.4(10) . . ?
C17 C16 H16 119.3 . . ?
C16 C17 S3 118.6(8) . . ?
C16 C17 C18 120.9(10) . . ?
C18 C17 S3 120.4(8) . . ?
O3 C18 C13 122.2(8) . . ?
O3 C18 C17 120.8(9) . . ?
C13 C18 C17 117.0(9) . . ?
C20 C19 S3 116.3(7) . . ?
C24 C19 S3 121.7(9) . . ?
C24 C19 C20 122.0(10) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.4(9) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 C41 121.1(9) . . ?
C22 C21 C20 115.2(10) . . ?
C22 C21 C41 123.4(9) . . ?
C21 C22 H22 117.8 . . ?
C23 C22 C21 124.3(10) . . ?
C23 C22 H22 117.8 . . ?
C22 C23 S4 120.8(8) . . ?
C22 C23 C24 120.2(9) . . ?
C24 C23 S4 118.8(9) . . ?
O4 C24 C19 121.7(10) . . ?
O4 C24 C23 121.9(9) . . ?
C19 C24 C23 116.4(11) . . ?
C34 C33 C9 109.9(12) . . ?
C35 C33 C9 111.6(13) . . ?
C35 C33 C34 106.5(13) . . ?
C35 C33 C36 109.3(14) . . ?
C36 C33 C9 112.7(9) . . ?
C36 C33 C34 106.5(14) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C15 C37 C38 108.2(15) . . ?
C39 C37 C15 112.2(16) . . ?
C39 C37 C38 102.9(15) . . ?
C40 C37 C15 115.1(14) . . ?
C40 C37 C38 108.5(17) . . ?
C40 C37 C39 109.1(18) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C21 C41 C42 108.4(14) . . ?
C21 C41 C43 101.8(13) . . ?
C21 C41 C46 101.7(13) . . ?
C21 C41 C47 107.0(13) . . ?
C42 C41 C43 103.9(13) . . ?
C44 C41 C21 117.3(13) . . ?
C44 C41 C42 118.1(16) . . ?
C44 C41 C43 105.1(15) . . ?
C45 C41 C21 126.6(15) . . ?
C45 C41 C46 109.6(13) . . ?
C45 C41 C47 106.3(13) . . ?
C46 C41 C47 103.5(15) . . ?
C49 C48 S8 117.2(8) . . ?
C53 C48 S8 120.2(6) . . ?
C53 C48 C49 122.5(9) . . ?
C48 C49 H49 119.7 . . ?
C48 C49 C50 120.6(10) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 C72 119.5(9) . . ?
C51 C50 C49 116.5(8) . . ?
C51 C50 C72 124.1(9) . . ?
C50 C51 H51 117.6 . . ?
C50 C51 C52 124.8(9) . . ?
C52 C51 H51 117.6 . . ?
C51 C52 S5 120.4(7) . . ?
C51 C52 C53 117.1(9) . . ?
C53 C52 S5 121.8(6) . . ?
O5 C53 C48 123.4(8) . . ?
O5 C53 C52 117.8(9) . . ?
C48 C53 C52 118.4(8) . . ?
C55 C54 S5 122.4(9) . . ?
C59 C54 S5 119.5(7) . . ?
C59 C54 C55 118.1(11) . . ?
C54 C55 H55 118.0 . . ?
C56 C55 C54 124.1(11) . . ?
C56 C55 H55 118.0 . . ?
C55 C56 C57 117.8(10) . . ?
C55 C56 C76 120.2(13) . . ?
C57 C56 C76 121.9(14) . . ?
C56 C57 H57 118.3 . . ?
C56 C57 C58 123.4(12) . . ?
C58 C57 H57 118.3 . . ?
C57 C58 S6 119.1(10) . . ?
C57 C58 C59 120.2(10) . . ?
C59 C58 S6 120.7(7) . . ?
O6 C59 C54 123.2(10) . . ?
O6 C59 C58 120.6(9) . . ?
C54 C59 C58 116.3(8) . . ?
C61 C60 S6 120.2(9) . . ?
C61 C60 C65 123.1(10) . . ?
C65 C60 S6 116.4(7) . . ?
C60 C61 H61 119.3 . . ?
C60 C61 C62 121.3(11) . . ?
C62 C61 H61 119.3 . . ?
C61 C62 C80 121.5(11) . . ?
C63 C62 C61 116.0(11) . . ?
C63 C62 C80 122.2(12) . . ?
C62 C63 H63 118.3 . . ?
C62 C63 C64 123.3(12) . . ?
C64 C63 H63 118.3 . . ?
C63 C64 S7 117.2(8) . . ?
C63 C64 C65 122.2(10) . . ?
C65 C64 S7 120.4(7) . . ?
O7 C65 C60 124.1(9) . . ?
O7 C65 C64 122.0(9) . . ?
C64 C65 C60 113.9(9) . . ?
C67 C66 S7 116.1(9) . . ?
C71 C66 S7 117.7(7) . . ?
C71 C66 C67 126.2(11) . . ?
C66 C67 H67 120.1 . . ?
C68 C67 C66 119.7(12) . . ?
C68 C67 H67 120.1 . . ?
C67 C68 C84 124.6(14) . . ?
C69 C68 C67 117.9(10) . . ?
C69 C68 C84 117.3(14) . . ?
C68 C69 H69 118.0 . . ?
C68 C69 C70 123.9(11) . . ?
C70 C69 H69 118.0 . . ?
C69 C70 S8 121.3(9) . . ?
C69 C70 C71 117.1(10) . . ?
C71 C70 S8 121.6(7) . . ?
O8 C71 C66 127.6(10) . . ?
O8 C71 C70 117.2(10) . . ?
C66 C71 C70 115.1(8) . . ?
C50 C72 C74 108.4(9) . . ?
C50 C72 C75 108.8(9) . . ?
C73 C72 C50 111.8(10) . . ?
C73 C72 C74 111.4(10) . . ?
C73 C72 C75 111.1(12) . . ?
C75 C72 C74 105.0(11) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C78 C76 C56 107.9(15) . . ?
C79 C76 C56 113.4(16) . . ?
C79 C76 C78 115.0(19) . . ?
C77 C76 C56 104.1(15) . . ?
C81 C80 C62 112.1(13) . . ?
C82 C80 C62 108.8(12) . . ?
C82 C80 C81 108.3(18) . . ?
C82 C80 C83 108.6(15) . . ?
C83 C80 C62 108.8(14) . . ?
C83 C80 C81 110.1(11) . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C80 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
C80 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C80 C83 H83A 109.5 . . ?
C80 C83 H83B 109.5 . . ?
C80 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 C68 114.1(16) . . ?
C85 C84 C86 102.8(16) . . ?
C85 C84 C87 115(2) . . ?
C86 C84 C68 109.8(17) . . ?
C86 C84 C87 108.2(17) . . ?
C87 C84 C68 106.6(13) . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C84 C87 H87A 109.5 . . ?
C84 C87 H87B 109.5 . . ?
C84 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C89 C88 S12 120.3(8) . . ?
C89 C88 C93 122.5(11) . . ?
C93 C88 S12 117.2(9) . . ?
C88 C89 H89 118.9 . . ?
C88 C89 C90 122.3(11) . . ?
C90 C89 H89 118.9 . . ?
C91 C90 C89 110.5(13) . . ?
C91 C90 C112 132.3(16) . . ?
C112 C90 C89 116.8(14) . . ?
C90 C91 H91 114.5 . . ?
C90 C91 C92 131.0(13) . . ?
C92 C91 H91 114.5 . . ?
C91 C92 S9 121.2(9) . . ?
C91 C92 C93 120.4(10) . . ?
C93 C92 S9 118.4(8) . . ?
O9 C93 C88 121.9(10) . . ?
O9 C93 C92 125.0(9) . . ?
C92 C93 C88 113.1(10) . . ?
C95 C94 S9 119.0(10) . . ?
C99 C94 S9 119.7(8) . . ?
C99 C94 C95 121.2(10) . . ?
C94 C95 H95 120.0 . . ?
C94 C95 C96 120.1(13) . . ?
C96 C95 H95 120.0 . . ?
C95 C96 C116 120.4(12) . . ?
C97 C96 C95 116.1(11) . . ?
C97 C96 C116 123.2(10) . . ?
C96 C97 H97 116.9 . . ?
C96 C97 C98 126.2(10) . . ?
C98 C97 H97 116.9 . . ?
C97 C98 S10 120.8(8) . . ?
C97 C98 C99 116.5(11) . . ?
C99 C98 S10 122.6(8) . . ?
O10 C99 C94 122.9(8) . . ?
O10 C99 C98 117.2(10) . . ?
C94 C99 C98 119.9(9) . . ?
C101 C100 S10 119.3(8) . . ?
C101 C100 C105 121.1(11) . . ?
C105 C100 S10 119.6(7) . . ?
C100 C101 H101 119.3 . . ?
C102 C101 C100 121.5(10) . . ?
C102 C101 H101 119.3 . . ?
C101 C102 C103 118.4(10) . . ?
C101 C102 C120 120.0(14) . . ?
C103 C102 C120 121.6(15) . . ?
C102 C103 H103 119.5 . . ?
C102 C103 C104 120.9(11) . . ?
C104 C103 H103 119.5 . . ?
C103 C104 S11 118.0(9) . . ?
C105 C104 S11 120.3(6) . . ?
C105 C104 C103 121.6(9) . . ?
O11 C105 C100 121.8(9) . . ?
O11 C105 C104 121.7(8) . . ?
C104 C105 C100 116.5(8) . . ?
C107 C106 S11 118.7(8) . . ?
C107 C106 C111 124.3(10) . . ?
C111 C106 S11 116.9(8) . . ?
C106 C107 H107 118.3 . . ?
C106 C107 C108 123.3(10) . . ?
C108 C107 H107 118.3 . . ?
C107 C108 C109 115.9(9) . . ?
C107 C108 C124 126.1(10) . . ?
C109 C108 C124 117.9(10) . . ?
C108 C109 H109 119.7 . . ?
C108 C109 C110 120.5(10) . . ?
C110 C109 H109 119.7 . . ?
C109 C110 S12 118.5(8) . . ?
C111 C110 S12 120.3(8) . . ?
C111 C110 C109 121.2(9) . . ?
O12 C111 C106 125.7(9) . . ?
O12 C111 C110 119.8(9) . . ?
C106 C111 C110 114.5(9) . . ?
C90 C112 C113 107.2(19) . . ?
C90 C112 C114 114.7(17) . . ?
C113 C112 C114 103(2) . . ?
C115 C112 C90 121(2) . . ?
C115 C112 C113 106.5(17) . . ?
C115 C112 C114 102(2) . . ?
C112 C113 H11A 109.5 . . ?
C112 C113 H11B 109.5 . . ?
C112 C113 H11C 109.5 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C112 C114 H11D 109.5 . . ?
C112 C114 H11E 109.5 . . ?
C112 C114 H11F 109.5 . . ?
H11D C114 H11E 109.5 . . ?
H11D C114 H11F 109.5 . . ?
H11E C114 H11F 109.5 . . ?
C112 C115 H11G 109.5 . . ?
C112 C115 H11H 109.5 . . ?
C112 C115 H11I 109.5 . . ?
H11G C115 H11H 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C96 C116 C118 109.5(12) . . ?
C96 C116 C119 109.0(13) . . ?
C117 C116 C96 111.8(11) . . ?
C117 C116 C118 111.4(14) . . ?
C117 C116 C119 108.2(13) . . ?
C119 C116 C118 106.9(13) . . ?
C116 C117 H11J 109.5 . . ?
C116 C117 H11K 109.5 . . ?
C116 C117 H11L 109.5 . . ?
H11J C117 H11K 109.5 . . ?
H11J C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
C116 C118 H11M 109.5 . . ?
C116 C118 H11N 109.5 . . ?
C116 C118 H11O 109.5 . . ?
H11M C118 H11N 109.5 . . ?
H11M C118 H11O 109.5 . . ?
H11N C118 H11O 109.5 . . ?
C116 C119 H11P 109.5 . . ?
C116 C119 H11Q 109.5 . . ?
C116 C119 H11R 109.5 . . ?
H11P C119 H11Q 109.5 . . ?
H11P C119 H11R 109.5 . . ?
H11Q C119 H11R 109.5 . . ?
C121 C120 C102 113.2(14) . . ?
C122 C120 C102 117.0(18) . . ?
C122 C120 C121 106(2) . . ?
C122 C120 C123 112.8(18) . . ?
C123 C120 C102 107(2) . . ?
C123 C120 C121 100.1(19) . . ?
C120 C121 H12A 109.5 . . ?
C120 C121 H12B 109.5 . . ?
C120 C121 H12C 109.5 . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C120 C122 H12D 109.5 . . ?
C120 C122 H12E 109.5 . . ?
C120 C122 H12F 109.5 . . ?
H12D C122 H12E 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C120 C123 H12G 109.5 . . ?
C120 C123 H12H 109.5 . . ?
C120 C123 H12I 109.5 . . ?
H12G C123 H12H 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C108 C124 C126 107.3(11) . . ?
C108 C124 C127 112.4(10) . . ?
C125 C124 C108 109.7(10) . . ?
C125 C124 C126 109.1(13) . . ?
C125 C124 C127 114.8(12) . . ?
C127 C124 C126 103.1(11) . . ?
C124 C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
C124 C125 H12L 109.5 . . ?
H12J C125 H12K 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C124 C126 H12M 109.5 . . ?
C124 C126 H12N 109.5 . . ?
C124 C126 H12O 109.5 . . ?
H12M C126 H12N 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.5 . . ?
C124 C127 H12P 109.5 . . ?
C124 C127 H12Q 109.5 . . ?
C124 C127 H12R 109.5 . . ?
H12P C127 H12Q 109.5 . . ?
H12P C127 H12R 109.5 . . ?
H12Q C127 H12R 109.5 . . ?
N100 C300 H30D 109.5 . . ?
N100 C300 H30E 109.5 . . ?
N100 C300 H30F 109.5 . . ?
H30D C300 H30E 109.5 . . ?
H30D C300 H30F 109.5 . . ?
H30E C300 H30F 109.5 . . ?
N100 C301 H30G 109.5 . . ?
N100 C301 H30H 109.5 . . ?
N100 C301 H30I 109.5 . . ?
H30G C301 H30H 109.5 . . ?
H30G C301 H30I 109.5 . . ?
H30H C301 H30I 109.5 . . ?
O100 C302 N100 122(2) . . ?
O100 C302 H302 119.1 . . ?
N100 C302 H302 119.1 . . ?
N101 C303 H30J 109.5 . . ?
N101 C303 H30K 109.5 . . ?
N101 C303 H30L 109.5 . . ?
H30J C303 H30K 109.5 . . ?
H30J C303 H30L 109.5 . . ?
H30K C303 H30L 109.5 . . ?
N101 C304 H30M 109.5 . . ?
N101 C304 H30N 109.5 . . ?
N101 C304 H30O 109.5 . . ?
H30M C304 H30N 109.5 . . ?
H30M C304 H30O 109.5 . . ?
H30N C304 H30O 109.5 . . ?
O101 C305 H305 115.9 . . ?
N101 C305 O101 128.1(16) . . ?
N101 C305 H305 115.9 . . ?
N102 C306 H30P 109.5 . . ?
N102 C306 H30Q 109.5 . . ?
N102 C306 H30R 109.5 . . ?
H30P C306 H30Q 109.5 . . ?
H30P C306 H30R 109.5 . . ?
H30Q C306 H30R 109.5 . . ?
N102 C307 H30S 109.5 . . ?
N102 C307 H30T 109.5 . . ?
N102 C307 H30U 109.5 . . ?
H30S C307 H30T 109.5 . . ?
H30S C307 H30U 109.5 . . ?
H30T C307 H30U 109.5 . . ?
O102 C308 N102 122.0(15) . . ?
O102 C308 H308 119.0 . . ?
N102 C308 H308 119.0 . . ?
N103 C309 H30V 109.5 . . ?
N103 C309 H30W 109.5 . . ?
N103 C309 H30X 109.5 . . ?
H30V C309 H30W 109.5 . . ?
H30V C309 H30X 109.5 . . ?
H30W C309 H30X 109.5 . . ?
N103 C310 H31D 109.5 . . ?
N103 C310 H31E 109.5 . . ?
N103 C310 H31F 109.5 . . ?
H31D C310 H31E 109.5 . . ?
H31D C310 H31F 109.5 . . ?
H31E C310 H31F 109.5 . . ?
O103 C311 N103 128(2) . . ?
O103 C311 H311 116.1 . . ?
N103 C311 H311 116.1 . . ?
N104 C312 H31G 109.5 . . ?
N104 C312 H31H 109.5 . . ?
N104 C312 H31I 109.5 . . ?
H31G C312 H31H 109.5 . . ?
H31G C312 H31I 109.5 . . ?
H31H C312 H31I 109.5 . . ?
N104 C313 H31J 109.5 . . ?
N104 C313 H31K 109.5 . . ?
N104 C313 H31L 109.5 . . ?
H31J C313 H31K 109.5 . . ?
H31J C313 H31L 109.5 . . ?
H31K C313 H31L 109.5 . . ?
O104 C314 N104 130.5(17) . . ?
O104 C314 H314 114.7 . . ?
N104 C314 H314 114.7 . . ?
Cu1 O13 Cu7 94.0(5) . . ?
C131 O13 Cu1 131.1(11) 2_566 . ?
C131 O13 Cu7 127.3(15) 2_566 . ?
Cu1 O14 Cu7 116.7(17) . . ?
Cu6 O17 Cu11 119(2) . . ?
Cu10 O19 Cu2 113.0(14) . . ?
Cu11 O20 Cu6 122(2) . . ?
Cu3 O23 Cu5 115.4(18) 2_566 . ?
Cu8 O25 Cu12 123.4(17) . . ?
Cu9 O27 Cu4 94.9(5) . 2_566 ?
C130 O27 Cu4 120.4(10) . 2_566 ?
C130 O27 Cu9 135.6(9) . . ?
Cu3 O28 Cu5 94.8(4) . 2_566 ?
C130 O28 Cu3 130.4(9) . . ?
C130 O28 Cu5 126.8(12) . 2_566 ?
Cu10 O30 Cu2 95.7(4) . . ?
C130 O30 Cu2 122.4(9) . . ?
C130 O30 Cu10 134.5(10) . . ?
Cu8 O32 Cu12 93.3(4) . . ?
C131 O32 Cu8 128.8(11) . . ?
C131 O32 Cu12 129.8(10) . . ?
Cu4 O33 Cu9 98.3(4) 2_566 . ?
C131 O33 Cu4 129.2(8) . 2_566 ?
C131 O33 Cu9 127.0(7) . . ?
Cu13 O81 Cu18 119(2) 2_657 2_657 ?
C30 C29 C3 114(2) . . ?
C30 C29 C31 109.4(17) . . ?
C31 C29 C3 112(2) . . ?
C32 C29 C3 101(3) . . ?
C32 C29 C30 112(2) . . ?
C32 C29 C31 107.9(19) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
O27 C130 O30 106.7(12) . . ?
O28 C130 O27 129.4(13) . . ?
O28 C130 O30 123.7(13) . . ?
O13 C131 O32 118.0(15) 2_566 . ?
O13 C131 O33 121.6(13) 2_566 . ?
O32 C131 O33 120.4(12) . . ?
Cu7 O13A Cu1 110(2) . . ?
Cu7 O15 Cu1 92.9(4) . . ?
C128 O15 Cu1 129.1(8) . . ?
C128 O15 Cu7 131.1(10) . . ?
Cu6 O16 Cu11 93.3(5) . . ?
C128 O16 Cu6 127.4(9) . . ?
C128 O16 Cu11 132.7(7) . . ?
Cu2 O18 Cu10 94.4(3) . . ?
C128 O18 Cu2 128.1(9) . . ?
C128 O18 Cu10 131.4(10) . . ?
Cu11 O21 Cu6 93.9(5) . . ?
C129 O21 Cu6 124.7(9) . . ?
C129 O21 Cu11 131.7(8) . . ?
Cu5 O22 Cu3 95.7(4) . 2_566 ?
C129 O22 Cu3 133.3(9) . 2_566 ?
C129 O22 Cu5 123.7(10) . . ?
Cu12 O24 Cu8 94.5(4) . . ?
C129 O24 Cu8 124.9(8) . . ?
C129 O24 Cu12 130.6(8) . . ?
Cu9 O26 Cu4 113(2) . 2_566 ?
Cu5 O29 Cu3 115.6(19) 2_566 . ?
Cu10 O31 Cu2 116.8(15) . . ?
Cu12 O43 Cu8 117.4(16) . . ?
Cu16 O65 Cu24 118(2) 2_657 2_657 ?
C3 C25 C26 116(3) . . ?
C3 C25 C27 104(3) . . ?
C26 C25 C27 102(2) . . ?
C28 C25 C3 123(4) . . ?
C28 C25 C26 104(2) . . ?
C28 C25 C27 104(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C41 C45 H45A 109.5 . . ?
C41 C45 H45B 109.5 . . ?
C41 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C41 C47 H47A 109.5 . . ?
C41 C47 H47B 109.5 . . ?
C41 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
O15 C128 O16 121.8(11) . . ?
O15 C128 O18 121.9(14) . . ?
O16 C128 O18 116.4(12) . . ?
O21 C129 O22 128.6(12) . . ?
O21 C129 O24 118.9(11) . . ?
O22 C129 O24 112.0(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cl1 2.682(3) . ?
Cu1 S1 2.599(3) . ?
Cu1 O1 1.996(7) . ?
Cu1 O2 1.978(6) . ?
Cu1 O13 2.044(18) . ?
Cu1 O14 1.69(4) . ?
Cu1 O13A 1.89(6) . ?
Cu1 O15 2.094(12) . ?
Cu2 Cl1 2.680(3) . ?
Cu2 S2 2.612(3) . ?
Cu2 O2 1.967(6) . ?
Cu2 O3 1.961(7) . ?
Cu2 O19 1.82(4) . ?
Cu2 O30 2.061(11) . ?
Cu2 O18 2.038(11) . ?
Cu2 O31 1.96(4) . ?
Cu3 Cu5 3.0125(19) 2_566 ?
Cu3 Cl1 2.646(3) . ?
Cu3 S3 2.588(3) . ?
Cu3 O3 1.968(6) . ?
Cu3 O4 1.952(6) . ?
Cu3 O23 1.78(4) 2_566 ?
Cu3 O28 2.020(13) . ?
Cu3 O22 2.041(13) 2_566 ?
Cu3 O29 1.78(4) . ?
Cu4 Cu9 3.013(2) 2_566 ?
Cu4 Cl2 2.684(3) . ?
Cu4 S5 2.615(2) . ?
Cu4 O5 1.957(7) . ?
Cu4 O6 2.031(7) . ?
Cu4 O27 2.080(13) 2_566 ?
Cu4 O33 1.976(9) 2_566 ?
Cu4 O26 1.85(4) 2_566 ?
Cu5 Cu3 3.0125(19) 2_566 ?
Cu5 Cl2 2.662(3) . ?
Cu5 S6 2.626(3) . ?
Cu5 O6 1.949(6) . ?
Cu5 O7 1.966(7) . ?
Cu5 O23 1.79(4) . ?
Cu5 O28 2.072(11) 2_566 ?
Cu5 O22 2.022(11) . ?
Cu5 O29 1.78(4) 2_566 ?
Cu6 Cl2 2.670(3) . ?
Cu6 S7 2.607(3) . ?
Cu6 O7 1.959(6) . ?
Cu6 O8 2.012(7) . ?
Cu6 O17 1.69(3) . ?
Cu6 O20 1.83(3) . ?
Cu6 O16 2.063(10) . ?
Cu6 O21 2.071(11) . ?
Cu7 Cl2 2.687(3) . ?
Cu7 S8 2.601(3) . ?
Cu7 O5 1.980(6) . ?
Cu7 O8 1.961(8) . ?
Cu7 O13 2.057(14) . ?
Cu7 O14 1.83(3) . ?
Cu7 O13A 1.77(5) . ?
Cu7 O15 2.044(10) . ?
Cu8 Cl3 2.694(4) . ?
Cu8 S9 2.590(4) . ?
Cu8 O9 1.953(6) . ?
Cu8 O10 1.974(5) . ?
Cu8 O25 1.65(3) . ?
Cu8 O32 2.057(11) . ?
Cu8 O24 2.082(9) . ?
Cu8 O43 1.79(4) . ?
Cu9 Cl3 2.671(2) . ?
Cu9 S10 2.597(3) . ?
Cu9 O10 1.961(8) . ?
Cu9 O11 2.002(6) . ?
Cu9 O27 2.009(15) . ?
Cu9 O33 2.008(8) . ?
Cu9 O26 1.76(5) . ?
Cu10 Cl3 2.667(3) . ?
Cu10 S11 2.611(3) . ?
Cu10 O11 1.974(5) . ?
Cu10 O12 1.986(7) . ?
Cu10 O19 1.79(3) . ?
Cu10 O30 1.996(11) . ?
Cu10 O18 2.063(10) . ?
Cu10 O31 1.57(3) . ?
Cu11 Cl3 2.676(3) . ?
Cu11 S12 2.605(3) . ?
Cu11 O9 1.960(7) . ?
Cu11 O12 1.981(6) . ?
Cu11 O17 1.83(4) . ?
Cu11 O20 1.62(3) . ?
Cu11 O16 2.092(12) . ?
Cu11 O21 2.062(10) . ?
Cu12 Cl1 2.713(3) 2_566 ?
Cu12 S4 2.613(4) 2_566 ?
Cu12 O1 1.994(6) 2_566 ?
Cu12 O4 1.976(6) 2_566 ?
Cu12 O25 1.77(3) . ?
Cu12 O32 2.085(12) . ?
Cu12 O24 2.019(11) . ?
Cu12 O43 1.74(4) . ?
Cu13 Cl4 2.687(3) 2_657 ?
Cu13 S14 2.604(2) . ?
Cu13 O51 1.924(7) . ?
Cu13 O52 2.031(8) . ?
Cu13 O70 1.81(5) . ?
Cu13 O69 2.037(14) . ?
Cu13 O80 2.088(13) 2_657 ?
Cu13 O81 1.71(4) 2_657 ?
Cu14 Cl4 2.677(3) 2_657 ?
Cu14 S15 2.639(3) . ?
Cu14 O52 1.940(6) . ?
Cu14 O53 1.965(6) . ?
Cu14 O63 2.015(12) . ?
Cu14 O62 1.82(4) . ?
Cu14 O68 1.982(8) . ?
Cu15 Cu19 3.003(2) 2_657 ?
Cu15 Cl5 2.716(4) . ?
Cu15 S17 2.604(3) . ?
Cu15 O54 1.970(5) . ?
Cu15 O55 1.966(7) . ?
Cu15 O66 2.065(9) 2_657 ?
Cu15 O83 1.79(3) 2_657 ?
Cu15 O67 1.77(3) 2_657 ?
Cu15 O82 1.997(11) 2_657 ?
Cu16 Cl5 2.662(3) . ?
Cu16 S18 2.610(3) . ?
Cu16 O55 1.995(7) . ?
Cu16 O56 1.980(6) . ?
Cu16 O64 2.056(10) 2_657 ?
Cu16 O76 1.73(4) . ?
Cu16 O75 2.105(11) . ?
Cu16 O65 1.73(3) 2_657 ?
Cu17 Cl5 2.693(3) . ?
Cu17 S19 2.607(3) . ?
Cu17 O56 1.947(7) . ?
Cu17 O57 1.991(6) . ?
Cu17 O72 1.69(4) . ?
Cu17 O73 1.82(4) . ?
Cu17 O71 2.049(12) . ?
Cu17 O74 2.068(10) . ?
Cu18 Cl5 2.682(2) . ?
Cu18 S20 2.601(2) . ?
Cu18 O54 1.941(7) . ?
Cu18 O57 1.969(7) . ?
Cu18 O70 1.84(5) . ?
Cu18 O69 2.055(16) . ?
Cu18 O80 2.048(12) 2_657 ?
Cu18 O81 1.78(4) 2_657 ?
Cu19 Cl6 2.725(3) . ?
Cu19 S21 2.594(4) . ?
Cu19 O58 1.970(7) . ?
Cu19 O59 1.990(6) . ?
Cu19 O66 2.084(10) . ?
Cu19 O83 1.67(3) . ?
Cu19 O67 1.71(3) . ?
Cu19 O82 2.063(10) . ?
Cu20 Cl6 2.641(3) . ?
Cu20 S22 2.598(3) . ?
Cu20 O59 1.986(7) . ?
Cu20 O60 1.976(7) . ?
Cu20 O63 2.089(13) . ?
Cu20 O62 1.82(4) . ?
Cu20 O68 1.963(8) . ?
Cu21 Cl6 2.692(3) . ?
Cu21 S23 2.612(3) . ?
Cu21 O60 1.948(7) . ?
Cu21 O61 1.989(6) . ?
Cu21 O72 1.82(4) . ?
Cu21 O73 1.75(4) . ?
Cu21 O71 2.086(11) . ?
Cu21 O74 2.080(12) . ?
Cu22 Cl6 2.685(3) . ?
Cu22 S24 2.601(3) . ?
Cu22 O58 1.989(7) . ?
Cu22 O61 1.985(6) . ?
Cu22 O79 1.995(7) . ?
Cu22 O78 1.69(4) . ?
Cu22 O77 2.076(13) . ?
Cu23 Cl4 2.673(3) . ?
Cu23 S13 2.608(3) 2_657 ?
Cu23 O50 1.989(7) 2_657 ?
Cu23 O51 1.983(6) 2_657 ?
Cu23 O79 1.999(8) . ?
Cu23 O78 1.75(3) . ?
Cu23 O77 2.082(9) . ?
Cu24 Cl4 2.667(3) . ?
Cu24 S16 2.605(3) 2_657 ?
Cu24 O50 1.955(7) 2_657 ?
Cu24 O53 1.970(6) 2_657 ?
Cu24 O64 2.084(11) 2_657 ?
Cu24 O76 1.89(4) . ?
Cu24 O75 2.040(13) . ?
Cu24 O65 1.80(3) 2_657 ?
Cl4 Cu13 2.687(3) 2_657 ?
Cl4 Cu14 2.677(3) 2_657 ?
S13 Cu23 2.608(3) 2_657 ?
S13 C154 1.741(13) . ?
S13 C156 1.810(10) . ?
S14 C160 1.735(10) . ?
S14 C162 1.773(12) . ?
S15 C166 1.827(10) . ?
S15 C168 1.753(11) . ?
S16 Cu24 2.605(3) 2_657 ?
S16 C150 1.770(13) . ?
S16 C172 1.806(11) . ?
S17 C194 1.779(10) . ?
S17 C196 1.816(11) . ?
S18 C200 1.752(13) . ?
S18 C202 1.793(9) . ?
S19 C206 1.756(11) . ?
S19 C208 1.769(9) . ?
S20 C190 1.794(13) . ?
S20 C212 1.753(11) . ?
S21 C234 1.780(12) . ?
S21 C236 1.793(9) . ?
S22 C240 1.723(11) . ?
S22 C242 1.761(11) . ?
S23 C246 1.832(11) . ?
S23 C248 1.802(11) . ?
S24 C230 1.735(12) . ?
S24 C252 1.775(10) . ?
O50 Cu23 1.989(7) 2_657 ?
O50 Cu24 1.955(7) 2_657 ?
O50 C155 1.343(12) . ?
O51 Cu23 1.983(6) 2_657 ?
O51 C161 1.369(10) . ?
O52 C167 1.305(10) . ?
O53 Cu24 1.970(6) 2_657 ?
O53 C173 1.360(12) . ?
O54 C195 1.370(12) . ?
O55 C201 1.409(13) . ?
O56 C207 1.347(12) . ?
O57 C213 1.313(10) . ?
O58 C235 1.314(13) . ?
O59 C241 1.261(15) . ?
O60 C247 1.330(11) . ?
O61 C253 1.304(13) . ?
O79 C276 1.557(17) . ?
C150 C151 1.423(14) . ?
C150 C155 1.433(18) . ?
C151 H151 0.9500 . ?
C151 C152 1.313(18) . ?
C152 C153 1.403(17) . ?
C152 C174 1.612(19) . ?
C153 H153 0.9500 . ?
C153 C154 1.399(14) . ?
C154 C155 1.394(18) . ?
C156 C157 1.382(12) . ?
C156 C161 1.387(15) . ?
C157 H157 0.9500 . ?
C157 C158 1.400(14) . ?
C158 C159 1.398(15) . ?
C158 C178 1.555(10) . ?
C159 H159 0.9500 . ?
C159 C160 1.420(11) . ?
C160 C161 1.425(13) . ?
C162 C163 1.419(12) . ?
C162 C167 1.405(13) . ?
C163 H163 0.9500 . ?
C163 C164 1.341(16) . ?
C164 C165 1.364(14) . ?
C164 C182 1.531(13) . ?
C165 H165 0.9500 . ?
C165 C166 1.421(11) . ?
C166 C167 1.393(16) . ?
C168 C169 1.365(16) . ?
C168 C173 1.424(15) . ?
C169 H169 0.9500 . ?
C169 C170 1.409(17) . ?
C170 C171 1.459(17) . ?
C170 C186 1.491(19) . ?
C171 H171 0.9500 . ?
C171 C172 1.330(17) . ?
C172 C173 1.413(15) . ?
C174 C175 1.61(3) . ?
C174 C176 1.46(3) . ?
C174 C177 1.61(3) . ?
C175 H17A 0.9800 . ?
C175 H17B 0.9800 . ?
C175 H17C 0.9800 . ?
C176 H17D 0.9800 . ?
C176 H17E 0.9800 . ?
C176 H17F 0.9800 . ?
C177 H17G 0.9800 . ?
C177 H17H 0.9800 . ?
C177 H17I 0.9800 . ?
C178 C179 1.581(19) . ?
C178 C180 1.50(2) . ?
C178 C181 1.47(2) . ?
C179 H17J 0.9800 . ?
C179 H17K 0.9800 . ?
C179 H17L 0.9800 . ?
C180 H18A 0.9800 . ?
C180 H18B 0.9800 . ?
C180 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C182 C183 1.50(3) . ?
C182 C184 1.44(3) . ?
C182 C185 1.46(3) . ?
C183 H18G 0.9800 . ?
C183 H18H 0.9800 . ?
C183 H18I 0.9800 . ?
C184 H18J 0.9800 . ?
C184 H18K 0.9800 . ?
C184 H18L 0.9800 . ?
C185 H18M 0.9800 . ?
C185 H18N 0.9800 . ?
C185 H18O 0.9800 . ?
C186 C187 1.54(2) . ?
C186 C188 1.45(2) . ?
C186 C189 1.54(3) . ?
C187 H18P 0.9800 . ?
C187 H18Q 0.9800 . ?
C187 H18R 0.9800 . ?
C188 H18S 0.9800 . ?
C188 H18T 0.9800 . ?
C188 H18U 0.9800 . ?
C189 H18V 0.9800 . ?
C189 H18W 0.9800 . ?
C189 H18X 0.9800 . ?
C190 C191 1.375(15) . ?
C190 C195 1.400(14) . ?
C191 H191 0.9500 . ?
C191 C192 1.340(18) . ?
C192 C193 1.398(14) . ?
C192 C214 1.581(17) . ?
C193 H193 0.9500 . ?
C193 C194 1.375(14) . ?
C194 C195 1.448(18) . ?
C196 C197 1.426(16) . ?
C196 C201 1.307(17) . ?
C197 H197 0.9500 . ?
C197 C198 1.440(17) . ?
C198 C199 1.393(18) . ?
C198 C218 1.547(14) . ?
C199 H199 0.9500 . ?
C199 C200 1.379(17) . ?
C200 C201 1.381(15) . ?
C202 C203 1.360(15) . ?
C202 C207 1.385(14) . ?
C203 H203 0.9500 . ?
C203 C204 1.450(15) . ?
C204 C205 1.354(18) . ?
C204 C222 1.522(16) . ?
C205 H205 0.9500 . ?
C205 C206 1.407(16) . ?
C206 C207 1.397(14) . ?
C208 C209 1.416(12) . ?
C208 C213 1.412(14) . ?
C209 H209 0.9500 . ?
C209 C210 1.403(13) . ?
C210 C211 1.382(16) . ?
C210 C226 1.544(15) . ?
C211 H211 0.9500 . ?
C211 C212 1.449(13) . ?
C212 C213 1.403(12) . ?
C214 C215 1.58(3) . ?
C214 C216 1.55(3) . ?
C214 C217 1.41(3) . ?
C215 H21A 0.9800 . ?
C215 H21B 0.9800 . ?
C215 H21C 0.9800 . ?
C216 H21D 0.9800 . ?
C216 H21E 0.9800 . ?
C216 H21F 0.9800 . ?
C217 H21G 0.9800 . ?
C217 H21H 0.9800 . ?
C217 H21I 0.9800 . ?
C218 C219 1.524(15) . ?
C218 C220 1.553(15) . ?
C218 C221 1.547(15) . ?
C219 H21J 0.9800 . ?
C219 H21K 0.9800 . ?
C219 H21L 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C222 C223 1.54(2) . ?
C222 C224 1.55(2) . ?
C222 C225 1.544(14) . ?
C223 H22G 0.9800 . ?
C223 H22H 0.9800 . ?
C223 H22I 0.9800 . ?
C224 H22J 0.9800 . ?
C224 H22K 0.9800 . ?
C224 H22L 0.9800 . ?
C225 H22M 0.9800 . ?
C225 H22N 0.9800 . ?
C225 H22O 0.9800 . ?
C226 C227 1.52(3) . ?
C226 C228 1.55(3) . ?
C226 C229 1.39(4) . ?
C227 H22P 0.9800 . ?
C227 H22Q 0.9800 . ?
C227 H22R 0.9800 . ?
C228 H22S 0.9800 . ?
C228 H22T 0.9800 . ?
C228 H22U 0.9800 . ?
C229 H22V 0.9800 . ?
C229 H22W 0.9800 . ?
C229 H22X 0.9800 . ?
C230 C231 1.409(16) . ?
C230 C235 1.379(15) . ?
C231 H231 0.9500 . ?
C231 C232 1.50(2) . ?
C232 C233 1.385(19) . ?
C232 C254 1.48(2) . ?
C233 H233 0.9500 . ?
C233 C234 1.415(18) . ?
C234 C235 1.409(17) . ?
C236 C237 1.392(18) . ?
C236 C241 1.438(16) . ?
C237 H237 0.9500 . ?
C237 C238 1.427(14) . ?
C238 C239 1.374(16) . ?
C238 C258 1.43(2) . ?
C239 H239 0.9500 . ?
C239 C240 1.510(18) . ?
C240 C241 1.377(14) . ?
C242 C243 1.464(15) . ?
C242 C247 1.347(15) . ?
C243 H243 0.9500 . ?
C243 C244 1.391(18) . ?
C244 C245 1.392(18) . ?
C244 C262 1.56(2) . ?
C245 H245 0.9500 . ?
C245 C246 1.368(16) . ?
C246 C247 1.400(16) . ?
C248 C249 1.345(17) . ?
C248 C253 1.421(13) . ?
C249 H249 0.9500 . ?
C249 C250 1.429(18) . ?
C250 C251 1.405(18) . ?
C250 C266 1.505(13) . ?
C251 H251 0.9500 . ?
C251 C252 1.386(17) . ?
C252 C253 1.414(16) . ?
C254 C255 1.56(3) . ?
C254 C256 1.58(3) . ?
C254 C257 1.48(4) . ?
C256 H25A 0.9800 . ?
C256 H25B 0.9800 . ?
C256 H25C 0.9800 . ?
C257 H25D 0.9800 . ?
C257 H25E 0.9800 . ?
C257 H25F 0.9800 . ?
C258 C259 1.59(3) . ?
C258 C260 1.52(3) . ?
C258 C261 1.44(2) . ?
C259 H25G 0.9800 . ?
C259 H25H 0.9800 . ?
C259 H25I 0.9800 . ?
C260 H26D 0.9800 . ?
C260 H26E 0.9800 . ?
C260 H26F 0.9800 . ?
C261 H26G 0.9800 . ?
C261 H26H 0.9800 . ?
C261 H26I 0.9800 . ?
C262 C263 1.55(2) . ?
C262 C264 1.43(2) . ?
C262 C265 1.43(2) . ?
C263 H26J 0.9800 . ?
C263 H26K 0.9800 . ?
C263 H26L 0.9800 . ?
C264 H26M 0.9800 . ?
C264 H26N 0.9800 . ?
C264 H26O 0.9800 . ?
C265 H26P 0.9800 . ?
C265 H26Q 0.9800 . ?
C265 H26R 0.9800 . ?
C266 C268 1.516(16) . ?
C266 C270 1.494(15) . ?
C266 C272 1.504(16) . ?
C266 C267 1.500(16) . ?
C266 C269 1.506(16) . ?
C266 C271 1.505(15) . ?
O63 C273 1.445(16) . ?
O64 Cu16 2.056(10) 2_657 ?
O64 Cu24 2.084(11) 2_657 ?
O64 C273 1.407(18) . ?
O66 Cu15 2.064(9) 2_657 ?
O66 C273 1.403(16) . ?
O83 Cu15 1.79(3) 2_657 ?
C268 H26S 0.9800 . ?
C268 H26T 0.9800 . ?
C268 H26U 0.9800 . ?
C270 H27D 0.9800 . ?
C270 H27E 0.9800 . ?
C270 H27F 0.9800 . ?
C272 H27G 0.9800 . ?
C272 H27H 0.9800 . ?
C272 H27I 0.9800 . ?
O67 Cu15 1.77(3) 2_657 ?
O68 C274 1.606(18) . ?
O69 C274 1.41(2) . ?
O71 C274 1.401(18) . ?
O74 C275 1.343(16) . ?
O75 C275 1.48(2) . ?
O77 C275 1.436(18) . ?
O80 Cu13 2.088(13) 2_657 ?
O80 Cu18 2.048(12) 2_657 ?
O80 C276 1.394(18) . ?
O82 Cu15 1.997(11) 2_657 ?
O82 C276 1.465(19) . ?
C267 H26V 0.9800 . ?
C267 H26W 0.9800 . ?
C267 H26X 0.9800 . ?
C269 H26Y 0.9800 . ?
C269 H 0.9800 . ?
C269 HA 0.9800 . ?
C271 H27J 0.9800 . ?
C271 H27K 0.9800 . ?
C271 H27L 0.9800 . ?
Cl1 Cu12 2.713(3) 2_566 ?
S1 C5 1.756(13) . ?
S1 C7 1.778(11) . ?
S2 C11 1.785(11) . ?
S2 C13 1.765(11) . ?
S3 C17 1.756(11) . ?
S3 C19 1.800(11) . ?
S4 Cu12 2.613(4) 2_566 ?
S4 C1 1.810(11) . ?
S4 C23 1.782(10) . ?
S5 C52 1.765(10) . ?
S5 C54 1.771(12) . ?
S6 C58 1.758(11) . ?
S6 C60 1.817(11) . ?
S7 C64 1.801(10) . ?
S7 C66 1.826(11) . ?
S8 C48 1.798(9) . ?
S8 C70 1.709(12) . ?
S9 C92 1.797(10) . ?
S9 C94 1.764(10) . ?
S10 C98 1.775(12) . ?
S10 C100 1.785(12) . ?
S11 C104 1.775(10) . ?
S11 C106 1.807(10) . ?
S12 C88 1.767(12) . ?
S12 C110 1.776(10) . ?
O1 Cu12 1.994(6) 2_566 ?
O1 C6 1.311(12) . ?
O2 C12 1.343(13) . ?
O3 C18 1.343(11) . ?
O4 Cu12 1.976(6) 2_566 ?
O4 C24 1.330(14) . ?
O5 C53 1.347(10) . ?
O6 C59 1.295(10) . ?
O7 C65 1.342(12) . ?
O8 C71 1.294(11) . ?
O9 C93 1.340(13) . ?
O10 C99 1.364(12) . ?
O11 C105 1.319(10) . ?
O12 C111 1.285(12) . ?
O100 C302 1.241(17) . ?
O101 C305 1.33(2) . ?
O102 C308 1.33(2) . ?
O103 C311 1.20(2) . ?
O104 C314 1.239(14) . ?
N100 C300 1.384(16) . ?
N100 C301 1.404(15) . ?
N100 C302 1.400(17) . ?
N101 C303 1.462(19) . ?
N101 C304 1.420(17) . ?
N101 C305 1.30(2) . ?
N102 C306 1.432(14) . ?
N102 C307 1.386(14) . ?
N102 C308 1.408(14) . ?
N103 C309 1.35(2) . ?
N103 C310 1.41(2) . ?
N103 C311 1.35(3) . ?
N104 C312 1.37(2) . ?
N104 C313 1.362(19) . ?
N104 C314 1.327(17) . ?
C1 C2 1.411(16) . ?
C1 C6 1.351(16) . ?
C2 H2 0.9500 . ?
C2 C3 1.437(19) . ?
C3 C4 1.37(2) . ?
C3 C29 1.62(2) . ?
C3 C25 1.50(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.367(16) . ?
C5 C6 1.434(14) . ?
C7 C8 1.402(16) . ?
C7 C12 1.388(15) . ?
C8 H8 0.9500 . ?
C8 C9 1.341(16) . ?
C9 C10 1.411(15) . ?
C9 C33 1.576(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(15) . ?
C11 C12 1.349(16) . ?
C13 C14 1.401(15) . ?
C13 C18 1.407(16) . ?
C14 H14 0.9500 . ?
C14 C15 1.398(16) . ?
C15 C16 1.368(17) . ?
C15 C37 1.533(16) . ?
C16 H16 0.9500 . ?
C16 C17 1.398(14) . ?
C17 C18 1.416(14) . ?
C19 C20 1.417(17) . ?
C19 C24 1.360(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.394(15) . ?
C21 C22 1.380(14) . ?
C21 C41 1.541(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.366(16) . ?
C23 C24 1.434(15) . ?
C33 C34 1.55(2) . ?
C33 C35 1.496(19) . ?
C33 C36 1.530(19) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.65(3) . ?
C37 C39 1.48(3) . ?
C37 C40 1.47(2) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.550(14) . ?
C41 C43 1.577(14) . ?
C41 C44 1.515(14) . ?
C41 C45 1.516(14) . ?
C41 C46 1.540(14) . ?
C41 C47 1.563(14) . ?
C48 C49 1.402(11) . ?
C48 C53 1.358(15) . ?
C49 H49 0.9500 . ?
C49 C50 1.406(13) . ?
C50 C51 1.356(14) . ?
C50 C72 1.535(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.416(11) . ?
C52 C53 1.432(13) . ?
C54 C55 1.452(13) . ?
C54 C59 1.413(15) . ?
C55 H55 0.9500 . ?
C55 C56 1.299(19) . ?
C56 C57 1.361(17) . ?
C56 C76 1.605(16) . ?
C57 H57 0.9500 . ?
C57 C58 1.382(13) . ?
C58 C59 1.427(17) . ?
C60 C61 1.361(15) . ?
C60 C65 1.410(15) . ?
C61 H61 0.9500 . ?
C61 C62 1.423(17) . ?
C62 C63 1.336(18) . ?
C62 C80 1.558(18) . ?
C63 H63 0.9500 . ?
C63 C64 1.392(15) . ?
C64 C65 1.399(14) . ?
C66 C67 1.388(12) . ?
C66 C71 1.362(15) . ?
C67 H67 0.9500 . ?
C67 C68 1.381(17) . ?
C68 C69 1.375(18) . ?
C68 C84 1.564(18) . ?
C69 H69 0.9500 . ?
C69 C70 1.431(13) . ?
C70 C71 1.485(14) . ?
C72 C73 1.46(2) . ?
C72 C74 1.607(18) . ?
C72 C75 1.553(17) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C78 1.57(3) . ?
C76 C79 1.50(3) . ?
C76 C77 1.59(3) . ?
C80 C81 1.55(2) . ?
C80 C82 1.45(3) . ?
C80 C83 1.52(2) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.37(3) . ?
C84 C86 1.51(3) . ?
C84 C87 1.55(3) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.381(17) . ?
C88 C93 1.456(14) . ?
C89 H89 0.9500 . ?
C89 C90 1.484(18) . ?
C90 C91 1.302(16) . ?
C90 C112 1.43(2) . ?
C91 H91 0.9500 . ?
C91 C92 1.379(16) . ?
C92 C93 1.406(15) . ?
C94 C95 1.413(16) . ?
C94 C99 1.376(17) . ?
C95 H95 0.9500 . ?
C95 C96 1.445(17) . ?
C96 C97 1.365(19) . ?
C96 C116 1.564(14) . ?
C97 H97 0.9500 . ?
C97 C98 1.392(14) . ?
C98 C99 1.446(14) . ?
C100 C101 1.405(14) . ?
C100 C105 1.423(13) . ?
C101 H101 0.9500 . ?
C101 C102 1.366(19) . ?
C102 C103 1.391(17) . ?
C102 C120 1.532(17) . ?
C103 H103 0.9500 . ?
C103 C104 1.413(13) . ?
C104 C105 1.384(15) . ?
C106 C107 1.342(16) . ?
C106 C111 1.404(14) . ?
C107 H107 0.9500 . ?
C107 C108 1.404(16) . ?
C108 C109 1.411(15) . ?
C108 C124 1.502(12) . ?
C109 H109 0.9500 . ?
C109 C110 1.447(15) . ?
C110 C111 1.433(14) . ?
C112 C113 1.52(3) . ?
C112 C114 1.54(3) . ?
C112 C115 1.41(3) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C114 H11D 0.9800 . ?
C114 H11E 0.9800 . ?
C114 H11F 0.9800 . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C116 C117 1.557(15) . ?
C116 C118 1.570(16) . ?
C116 C119 1.566(16) . ?
C117 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C118 H11M 0.9800 . ?
C118 H11N 0.9800 . ?
C118 H11O 0.9800 . ?
C119 H11P 0.9800 . ?
C119 H11Q 0.9800 . ?
C119 H11R 0.9800 . ?
C120 C121 1.53(3) . ?
C120 C122 1.36(3) . ?
C120 C123 1.50(4) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C124 C125 1.499(14) . ?
C124 C126 1.547(14) . ?
C124 C127 1.514(13) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C126 H12O 0.9800 . ?
C127 H12P 0.9800 . ?
C127 H12Q 0.9800 . ?
C127 H12R 0.9800 . ?
C300 H30D 0.9800 . ?
C300 H30E 0.9800 . ?
C300 H30F 0.9800 . ?
C301 H30G 0.9800 . ?
C301 H30H 0.9800 . ?
C301 H30I 0.9800 . ?
C302 H302 0.9500 . ?
C303 H30J 0.9800 . ?
C303 H30K 0.9800 . ?
C303 H30L 0.9800 . ?
C304 H30M 0.9800 . ?
C304 H30N 0.9800 . ?
C304 H30O 0.9800 . ?
C305 H305 0.9500 . ?
C306 H30P 0.9800 . ?
C306 H30Q 0.9800 . ?
C306 H30R 0.9800 . ?
C307 H30S 0.9800 . ?
C307 H30T 0.9800 . ?
C307 H30U 0.9800 . ?
C308 H308 0.9500 . ?
C309 H30V 0.9800 . ?
C309 H30W 0.9800 . ?
C309 H30X 0.9800 . ?
C310 H31D 0.9800 . ?
C310 H31E 0.9800 . ?
C310 H31F 0.9800 . ?
C311 H311 0.9500 . ?
C312 H31G 0.9800 . ?
C312 H31H 0.9800 . ?
C312 H31I 0.9800 . ?
C313 H31J 0.9800 . ?
C313 H31K 0.9800 . ?
C313 H31L 0.9800 . ?
C314 H314 0.9500 . ?
O13 C131 1.40(2) 2_566 ?
O23 Cu3 1.78(4) 2_566 ?
O27 Cu4 2.080(13) 2_566 ?
O27 C130 1.516(18) . ?
O28 Cu5 2.072(11) 2_566 ?
O28 C130 1.286(18) . ?
O30 C130 1.588(16) . ?
O32 C131 1.478(19) . ?
O33 Cu4 1.976(8) 2_566 ?
O33 C131 1.52(2) . ?
O81 Cu13 1.71(4) 2_657 ?
O81 Cu18 1.78(4) 2_657 ?
C29 C30 1.60(2) . ?
C29 C31 1.61(2) . ?
C29 C32 1.60(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C131 O13 1.40(2) 2_566 ?
O15 C128 1.393(17) . ?
O16 C128 1.40(2) . ?
O18 C128 1.449(15) . ?
O21 C129 1.332(19) . ?
O22 Cu3 2.041(13) 2_566 ?
O22 C129 1.444(16) . ?
O24 C129 1.592(16) . ?
O26 Cu4 1.85(4) 2_566 ?
O29 Cu5 1.78(4) 2_566 ?
O65 Cu16 1.73(3) 2_657 ?
O65 Cu24 1.80(3) 2_657 ?
C25 C26 1.50(2) . ?
C25 C27 1.50(2) . ?
C25 C28 1.49(2) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
loop_
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Cu1 S1 C5 C4 -171.2(11) . . . . ?
Cu1 S1 C5 C6 2.0(8) . . . . ?
Cu1 S1 C7 C8 -179.2(9) . . . . ?
Cu1 S1 C7 C12 5.1(10) . . . . ?
Cu1 O1 C6 C1 173.5(7) . . . . ?
Cu1 O1 C6 C5 -10.3(12) . . . . ?
Cu1 O2 C12 C7 0.3(15) . . . . ?
Cu1 O2 C12 C11 -179.1(8) . . . . ?
Cu1 O15 C128 O16 162.7(9) . . . . ?
Cu1 O15 C128 O18 -18.2(18) . . . . ?
Cu2 S2 C11 C10 176.4(9) . . . . ?
Cu2 S2 C11 C12 -5.2(10) . . . . ?
Cu2 S2 C13 C14 166.5(12) . . . . ?
Cu2 S2 C13 C18 -8.4(10) . . . . ?
Cu2 O2 C12 C7 180.0(8) . . . . ?
Cu2 O2 C12 C11 0.6(15) . . . . ?
Cu2 O3 C18 C13 17.3(13) . . . . ?
Cu2 O3 C18 C17 -164.9(8) . . . . ?
Cu2 O30 C130 O27 165.0(8) . . . . ?
Cu2 O30 C130 O28 -19.0(15) . . . . ?
Cu2 O18 C128 O15 17.5(17) . . . . ?
Cu2 O18 C128 O16 -163.3(9) . . . . ?
Cu3 S3 C17 C16 -167.2(10) . . . . ?
Cu3 S3 C17 C18 8.3(10) . . . . ?
Cu3 S3 C19 C20 178.9(8) . . . . ?
Cu3 S3 C19 C24 0.8(9) . . . . ?
Cu3 O3 C18 C13 167.5(8) . . . . ?
Cu3 O3 C18 C17 -14.8(13) . . . . ?
Cu3 O4 C24 C19 5.2(13) . . . . ?
Cu3 O4 C24 C23 -174.3(7) . . . . ?
Cu3 O28 C130 O27 -163.2(10) . . . . ?
Cu3 O28 C130 O30 21.7(19) . . . . ?
Cu3 O22 C129 O21 -163.1(12) 2_566 . . . ?
Cu3 O22 C129 O24 25(2) 2_566 . . . ?
Cu4 S5 C52 C51 178.1(9) . . . . ?
Cu4 S5 C52 C53 -11.3(10) . . . . ?
Cu4 S5 C54 C55 175.7(10) . . . . ?
Cu4 S5 C54 C59 -6.6(8) . . . . ?
Cu4 O5 C53 C48 -178.4(9) . . . . ?
Cu4 O5 C53 C52 -6.0(15) . . . . ?
Cu4 O6 C59 C54 7.6(12) . . . . ?
Cu4 O6 C59 C58 -171.7(7) . . . . ?
Cu4 O27 C130 O28 20.6(18) 2_566 . . . ?
Cu4 O27 C130 O30 -163.7(8) 2_566 . . . ?
Cu4 O33 C131 O13 -15.5(19) 2_566 . . 2_566 ?
Cu4 O33 C131 O32 163.8(9) 2_566 . . . ?
Cu5 S6 C58 C57 -177.1(9) . . . . ?
Cu5 S6 C58 C59 3.6(8) . . . . ?
Cu5 S6 C60 C61 172.9(9) . . . . ?
Cu5 S6 C60 C65 -0.7(8) . . . . ?
Cu5 O6 C59 C54 169.4(7) . . . . ?
Cu5 O6 C59 C58 -9.9(11) . . . . ?
Cu5 O7 C65 C60 9.9(13) . . . . ?
Cu5 O7 C65 C64 -172.5(6) . . . . ?
Cu5 O28 C130 O27 -22.5(18) 2_566 . . . ?
Cu5 O28 C130 O30 162.4(8) 2_566 . . . ?
Cu5 O22 C129 O21 -21(2) . . . . ?
Cu5 O22 C129 O24 167.1(9) . . . . ?
Cu6 S7 C64 C63 -174.8(9) . . . . ?
Cu6 S7 C64 C65 0.8(8) . . . . ?
Cu6 S7 C66 C67 172.5(7) . . . . ?
Cu6 S7 C66 C71 -7.2(7) . . . . ?
Cu6 O7 C65 C60 172.0(7) . . . . ?
Cu6 O7 C65 C64 -10.5(12) . . . . ?
Cu6 O8 C71 C66 8.1(12) . . . . ?
Cu6 O8 C71 C70 -167.4(5) . . . . ?
Cu6 O16 C128 O15 -18.6(17) . . . . ?
Cu6 O16 C128 O18 162.2(8) . . . . ?
Cu6 O21 C129 O22 24(2) . . . . ?
Cu6 O21 C129 O24 -164.3(9) . . . . ?
Cu7 S8 C48 C49 -175.9(9) . . . . ?
Cu7 S8 C48 C53 7.5(10) . . . . ?
Cu7 S8 C70 C69 -171.1(7) . . . . ?
Cu7 S8 C70 C71 9.7(7) . . . . ?
Cu7 O5 C53 C48 2.3(16) . . . . ?
Cu7 O5 C53 C52 174.7(8) . . . . ?
Cu7 O8 C71 C66 165.7(7) . . . . ?
Cu7 O8 C71 C70 -9.8(10) . . . . ?
Cu7 O15 C128 O16 19.7(18) . . . . ?
Cu7 O15 C128 O18 -161.2(9) . . . . ?
Cu8 S9 C92 C91 -176.6(7) . . . . ?
Cu8 S9 C92 C93 3.7(7) . . . . ?
Cu8 S9 C94 C95 179.5(9) . . . . ?
Cu8 S9 C94 C99 2.7(8) . . . . ?
Cu8 O9 C93 C88 172.2(6) . . . . ?
Cu8 O9 C93 C92 -7.9(11) . . . . ?
Cu8 O10 C99 C94 3.6(12) . . . . ?
Cu8 O10 C99 C98 -176.9(6) . . . . ?
Cu8 O32 C131 O13 161.3(11) . . . 2_566 ?
Cu8 O32 C131 O33 -18.0(18) . . . . ?
Cu8 O24 C129 O21 26.2(18) . . . . ?
Cu8 O24 C129 O22 -160.9(9) . . . . ?
Cu9 S10 C98 C97 179.9(9) . . . . ?
Cu9 S10 C98 C99 -3.8(8) . . . . ?
Cu9 S10 C100 C101 171.9(13) . . . . ?
Cu9 S10 C100 C105 -9.4(12) . . . . ?
Cu9 O10 C99 C94 176.0(7) . . . . ?
Cu9 O10 C99 C98 -4.5(11) . . . . ?
Cu9 O11 C105 C100 12.7(15) . . . . ?
Cu9 O11 C105 C104 -165.1(8) . . . . ?
Cu9 O27 C130 O28 158.3(12) . . . . ?
Cu9 O27 C130 O30 -26.0(17) . . . . ?
Cu9 O33 C131 O13 -163.4(11) . . . 2_566 ?
Cu9 O33 C131 O32 15.9(18) . . . . ?
Cu10 S11 C104 C103 -172.0(10) . . . . ?
Cu10 S11 C104 C105 11.1(9) . . . . ?
Cu10 S11 C106 C107 -173.9(9) . . . . ?
Cu10 S11 C106 C111 6.9(8) . . . . ?
Cu10 O11 C105 C100 164.9(9) . . . . ?
Cu10 O11 C105 C104 -12.8(14) . . . . ?
Cu10 O12 C111 C106 2.8(13) . . . . ?
Cu10 O12 C111 C110 179.2(7) . . . . ?
Cu10 O30 C130 O27 23.1(14) . . . . ?
Cu10 O30 C130 O28 -160.9(10) . . . . ?
Cu10 O18 C128 O15 162.4(9) . . . . ?
Cu10 O18 C128 O16 -18.4(17) . . . . ?
Cu11 S12 C88 C89 175.8(8) . . . . ?
Cu11 S12 C88 C93 -4.9(6) . . . . ?
Cu11 S12 C110 C109 176.3(9) . . . . ?
Cu11 S12 C110 C111 -4.6(9) . . . . ?
Cu11 O9 C93 C88 7.9(11) . . . . ?
Cu11 O9 C93 C92 -172.1(6) . . . . ?
Cu11 O12 C111 C106 -179.8(7) . . . . ?
Cu11 O12 C111 C110 -3.4(13) . . . . ?
Cu11 O16 C128 O15 -162.1(9) . . . . ?
Cu11 O16 C128 O18 18.7(17) . . . . ?
Cu11 O21 C129 O22 161.0(12) . . . . ?
Cu11 O21 C129 O24 -28(2) . . . . ?
Cu12 S4 C1 C2 173.5(9) 2_566 . . . ?
Cu12 S4 C1 C6 -2.5(9) 2_566 . . . ?
Cu12 S4 C23 C22 -175.7(8) 2_566 . . . ?
Cu12 S4 C23 C24 0.3(8) 2_566 . . . ?
Cu12 O1 C6 C1 11.7(13) 2_566 . . . ?
Cu12 O1 C6 C5 -172.1(7) 2_566 . . . ?
Cu12 O4 C24 C19 173.6(7) 2_566 . . . ?
Cu12 O4 C24 C23 -5.9(13) 2_566 . . . ?
Cu12 O32 C131 O13 21(2) . . . 2_566 ?
Cu12 O32 C131 O33 -158.0(9) . . . . ?
Cu12 O24 C129 O21 162.6(10) . . . . ?
Cu12 O24 C129 O22 -24.5(17) . . . . ?
Cu13 S14 C160 C159 176.2(9) . . . . ?
Cu13 S14 C160 C161 -4.1(10) . . . . ?
Cu13 S14 C162 C163 177.3(8) . . . . ?
Cu13 S14 C162 C167 -5.4(8) . . . . ?
Cu13 O51 C161 C156 175.6(8) . . . . ?
Cu13 O51 C161 C160 -4.3(14) . . . . ?
Cu13 O52 C167 C162 8.9(14) . . . . ?
Cu13 O52 C167 C166 -173.3(7) . . . . ?
Cu13 O69 C274 O68 -13.6(18) . . . . ?
Cu13 O69 C274 O71 160.5(10) . . . . ?
Cu13 O80 C276 O79 -13.2(19) 2_657 . . . ?
Cu13 O80 C276 O82 157.5(10) 2_657 . . . ?
Cu14 S15 C166 C165 -175.2(8) . . . . ?
Cu14 S15 C166 C167 1.7(9) . . . . ?
Cu14 S15 C168 C169 176.0(9) . . . . ?
Cu14 S15 C168 C173 -2.7(9) . . . . ?
Cu14 O52 C167 C162 169.8(8) . . . . ?
Cu14 O52 C167 C166 -12.4(13) . . . . ?
Cu14 O53 C173 C168 10.9(13) . . . . ?
Cu14 O53 C173 C172 -170.3(8) . . . . ?
Cu14 O63 C273 O64 -13(2) . . . . ?
Cu14 O63 C273 O66 160.5(12) . . . . ?
Cu14 O68 C274 O69 13.3(14) . . . . ?
Cu14 O68 C274 O71 -161.1(8) . . . . ?
Cu15 S17 C194 C193 -178.0(9) . . . . ?
Cu15 S17 C194 C195 2.7(8) . . . . ?
Cu15 S17 C196 C197 173.7(6) . . . . ?
Cu15 S17 C196 C201 0.8(8) . . . . ?
Cu15 O54 C195 C190 171.9(8) . . . . ?
Cu15 O54 C195 C194 -5.6(12) . . . . ?
Cu15 O55 C201 C196 14.8(11) . . . . ?
Cu15 O55 C201 C200 -171.0(6) . . . . ?
Cu15 O66 C273 O63 -159.5(11) 2_657 . . . ?
Cu15 O66 C273 O64 14(2) 2_657 . . . ?
Cu15 O82 C276 O79 159.0(9) 2_657 . . . ?
Cu15 O82 C276 O80 -12(2) 2_657 . . . ?
Cu16 S18 C200 C199 -174.9(8) . . . . ?
Cu16 S18 C200 C201 4.7(8) . . . . ?
Cu16 S18 C202 C203 -174.5(9) . . . . ?
Cu16 S18 C202 C207 4.5(9) . . . . ?
Cu16 O55 C201 C196 173.9(6) . . . . ?
Cu16 O55 C201 C200 -11.8(10) . . . . ?
Cu16 O56 C207 C202 -2.7(13) . . . . ?
Cu16 O56 C207 C206 179.6(7) . . . . ?
Cu16 O64 C273 O63 158.7(11) 2_657 . . . ?
Cu16 O64 C273 O66 -14(2) 2_657 . . . ?
Cu16 O75 C275 O74 -18.8(19) . . . . ?
Cu16 O75 C275 O77 160.6(9) . . . . ?
Cu17 S19 C206 C205 175.3(9) . . . . ?
Cu17 S19 C206 C207 -3.3(9) . . . . ?
Cu17 S19 C208 C209 174.2(8) . . . . ?
Cu17 S19 C208 C213 -4.5(9) . . . . ?
Cu17 O56 C207 C202 180.0(7) . . . . ?
Cu17 O56 C207 C206 2.2(13) . . . . ?
Cu17 O57 C213 C208 8.9(13) . . . . ?
Cu17 O57 C213 C212 -174.5(8) . . . . ?
Cu17 O71 C274 O68 160.9(7) . . . . ?
Cu17 O71 C274 O69 -13.2(18) . . . . ?
Cu17 O74 C275 O75 19.2(19) . . . . ?
Cu17 O74 C275 O77 -160.1(9) . . . . ?
Cu18 S20 C190 C191 175.8(10) . . . . ?
Cu18 S20 C190 C195 -1.1(9) . . . . ?
Cu18 S20 C212 C211 -173.2(10) . . . . ?
Cu18 S20 C212 C213 1.4(9) . . . . ?
Cu18 O54 C195 C190 6.3(13) . . . . ?
Cu18 O54 C195 C194 -171.2(7) . . . . ?
Cu18 O57 C213 C208 173.3(7) . . . . ?
Cu18 O57 C213 C212 -10.1(13) . . . . ?
Cu18 O69 C274 O68 -159.9(8) . . . . ?
Cu18 O69 C274 O71 14.2(19) . . . . ?
Cu18 O80 C276 O79 -157.2(9) 2_657 . . . ?
Cu18 O80 C276 O82 14(2) 2_657 . . . ?
Cu19 S21 C234 C233 177.5(8) . . . . ?
Cu19 S21 C234 C235 -2.6(8) . . . . ?
Cu19 S21 C236 C237 177.6(9) . . . . ?
Cu19 S21 C236 C241 -5.7(10) . . . . ?
Cu19 O58 C235 C230 177.4(6) . . . . ?
Cu19 O58 C235 C234 -4.2(11) . . . . ?
Cu19 O59 C241 C236 11.7(15) . . . . ?
Cu19 O59 C241 C240 -170.2(9) . . . . ?
Cu19 O66 C273 O63 -12(2) . . . . ?
Cu19 O66 C273 O64 161.5(10) . . . . ?
Cu19 O82 C276 O79 9.2(19) . . . . ?
Cu19 O82 C276 O80 -161.8(10) . . . . ?
Cu20 S22 C240 C239 -177.5(9) . . . . ?
Cu20 S22 C240 C241 5.7(10) . . . . ?
Cu20 S22 C242 C243 -177.0(8) . . . . ?
Cu20 S22 C242 C247 -4.8(9) . . . . ?
Cu20 O59 C241 C236 171.9(8) . . . . ?
Cu20 O59 C241 C240 -10.0(15) . . . . ?
Cu20 O60 C247 C242 -4.4(12) . . . . ?
Cu20 O60 C247 C246 -179.0(8) . . . . ?
Cu20 O63 C273 O64 -161.0(11) . . . . ?
Cu20 O63 C273 O66 12(2) . . . . ?
Cu20 O68 C274 O69 161.6(9) . . . . ?
Cu20 O68 C274 O71 -12.8(14) . . . . ?
Cu21 S23 C246 C245 179.0(9) . . . . ?
Cu21 S23 C246 C247 -4.0(9) . . . . ?
Cu21 S23 C248 C249 164.3(11) . . . . ?
Cu21 S23 C248 C253 -3.4(10) . . . . ?
Cu21 O60 C247 C242 170.6(7) . . . . ?
Cu21 O60 C247 C246 -4.0(12) . . . . ?
Cu21 O61 C253 C248 21.9(16) . . . . ?
Cu21 O61 C253 C252 -167.5(9) . . . . ?
Cu21 O71 C274 O68 13.6(17) . . . . ?
Cu21 O71 C274 O69 -160.5(10) . . . . ?
Cu21 O74 C275 O75 162.7(9) . . . . ?
Cu21 O74 C275 O77 -16.7(18) . . . . ?
Cu22 S24 C230 C231 -176.3(7) . . . . ?
Cu22 S24 C230 C235 5.2(8) . . . . ?
Cu22 S24 C252 C251 -164.8(11) . . . . ?
Cu22 S24 C252 C253 6.6(10) . . . . ?
Cu22 O58 C235 C230 2.4(11) . . . . ?
Cu22 O58 C235 C234 -179.2(7) . . . . ?
Cu22 O61 C253 C248 170.8(9) . . . . ?
Cu22 O61 C253 C252 -18.6(16) . . . . ?
Cu22 O79 C276 O80 161.8(9) . . . . ?
Cu22 O79 C276 O82 -9.3(18) . . . . ?
Cu22 O77 C275 O74 17.9(18) . . . . ?
Cu22 O77 C275 O75 -161.5(9) . . . . ?
Cu23 S13 C154 C153 -177.1(8) 2_657 . . . ?
Cu23 S13 C154 C155 4.1(9) 2_657 . . . ?
Cu23 S13 C156 C157 -174.9(9) 2_657 . . . ?
Cu23 S13 C156 C161 1.1(9) 2_657 . . . ?
Cu23 O50 C155 C150 174.3(7) 2_657 . . . ?
Cu23 O50 C155 C154 -9.5(13) 2_657 . . . ?
Cu23 O51 C161 C156 1.6(15) 2_657 . . . ?
Cu23 O51 C161 C160 -178.3(8) 2_657 . . . ?
Cu23 O79 C276 O80 10.2(16) . . . . ?
Cu23 O79 C276 O82 -161.0(9) . . . . ?
Cu23 O77 C275 O74 159.3(10) . . . . ?
Cu23 O77 C275 O75 -20.1(17) . . . . ?
Cu24 S16 C150 C151 173.6(9) 2_657 . . . ?
Cu24 S16 C150 C155 1.2(9) 2_657 . . . ?
Cu24 S16 C172 C171 -175.7(11) 2_657 . . . ?
Cu24 S16 C172 C173 3.9(10) 2_657 . . . ?
Cu24 O50 C155 C150 11.2(13) 2_657 . . . ?
Cu24 O50 C155 C154 -172.6(7) 2_657 . . . ?
Cu24 O53 C173 C168 169.8(7) 2_657 . . . ?
Cu24 O53 C173 C172 -11.4(14) 2_657 . . . ?
Cu24 O64 C273 O63 14(2) 2_657 . . . ?
Cu24 O64 C273 O66 -158.8(10) 2_657 . . . ?
Cu24 O75 C275 O74 -158.7(9) . . . . ?
Cu24 O75 C275 O77 20.7(17) . . . . ?
Cl4 Cu13 O70 Cu18 102.2(15) 2_657 . . . ?
Cl4 Cu14 O62 Cu20 104.4(19) 2_657 . . . ?
Cl4 Cu23 O78 Cu22 96.0(19) . . . . ?
Cl4 Cu24 O76 Cu16 -109(2) . . . . ?
Cl5 Cu16 O76 Cu24 108(2) . . . . ?
Cl5 Cu17 O72 Cu21 97.4(19) . . . . ?
Cl5 Cu17 O73 Cu21 -107.2(16) . . . . ?
Cl5 Cu18 O70 Cu13 -103.4(15) . . . . ?
Cl6 Cu19 O83 Cu15 -95(2) . . . 2_657 ?
Cl6 Cu19 O67 Cu15 99(2) . . . 2_657 ?
Cl6 Cu20 O62 Cu14 -105.3(19) . . . . ?
Cl6 Cu21 O72 Cu17 -98.6(19) . . . . ?
Cl6 Cu21 O73 Cu17 106.7(16) . . . . ?
Cl6 Cu22 O78 Cu23 -95.2(18) . . . . ?
S13 Cu23 O78 Cu22 -94.5(18) 2_657 . . . ?
S13 C154 C155 O50 1.8(15) . . . . ?
S13 C154 C155 C150 178.0(8) . . . . ?
S13 C156 C157 C158 178.7(8) . . . . ?
S13 C156 C161 O51 -1.9(16) . . . . ?
S13 C156 C161 C160 178.0(8) . . . . ?
S14 Cu13 O70 Cu18 -90.4(16) . . . . ?
S14 C160 C161 O51 5.9(15) . . . . ?
S14 C160 C161 C156 -174.0(8) . . . . ?
S14 C162 C163 C164 -178.3(9) . . . . ?
S14 C162 C167 O52 -0.5(14) . . . . ?
S14 C162 C167 C166 -178.4(8) . . . . ?
S15 Cu14 O62 Cu20 -87(2) . . . . ?
S15 C166 C167 O52 5.0(14) . . . . ?
S15 C166 C167 C162 -177.0(8) . . . . ?
S15 C168 C169 C170 -173.9(10) . . . . ?
S15 C168 C173 O53 -3.6(14) . . . . ?
S15 C168 C173 C172 177.6(9) . . . . ?
S16 Cu24 O76 Cu16 82(2) 2_657 . . . ?
S16 C150 C151 C152 -177.6(9) . . . . ?
S16 C150 C155 O50 -7.2(14) . . . . ?
S16 C150 C155 C154 176.5(8) . . . . ?
S16 C172 C173 O53 3.0(15) . . . . ?
S16 C172 C173 C168 -178.2(8) . . . . ?
S17 C194 C195 O54 0.8(14) . . . . ?
S17 C194 C195 C190 -176.9(8) . . . . ?
S17 C196 C197 C198 -173.9(8) . . . . ?
S17 C196 C201 O55 -8.9(12) . . . . ?
S17 C196 C201 C200 177.2(7) . . . . ?
S18 Cu16 O76 Cu24 -84(2) . . . . ?
S18 C200 C201 O55 2.4(12) . . . . ?
S18 C200 C201 C196 176.4(7) . . . . ?
S18 C202 C203 C204 179.0(11) . . . . ?
S18 C202 C207 O56 -2.5(14) . . . . ?
S18 C202 C207 C206 175.3(8) . . . . ?
S19 Cu17 O72 Cu21 -95.0(19) . . . . ?
S19 Cu17 O73 Cu21 83.6(17) . . . . ?
S19 C206 C207 O56 1.7(14) . . . . ?
S19 C206 C207 C202 -176.1(8) . . . . ?
S19 C208 C209 C210 178.3(9) . . . . ?
S19 C208 C213 O57 -0.9(14) . . . . ?
S19 C208 C213 C212 -177.6(8) . . . . ?
S20 Cu18 O70 Cu13 87.2(17) . . . . ?
S20 C190 C191 C192 -175.9(10) . . . . ?
S20 C190 C195 O54 -2.4(14) . . . . ?
S20 C190 C195 C194 175.3(8) . . . . ?
S20 C212 C213 O57 4.6(15) . . . . ?
S20 C212 C213 C208 -178.7(8) . . . . ?
S21 Cu19 O83 Cu15 96(2) . . . 2_657 ?
S21 Cu19 O67 Cu15 -93(2) . . . 2_657 ?
S21 C234 C235 O58 4.6(12) . . . . ?
S21 C234 C235 C230 -176.9(7) . . . . ?
S21 C236 C237 C238 -179.9(9) . . . . ?
S21 C236 C241 O59 -1.3(16) . . . . ?
S21 C236 C241 C240 -179.6(9) . . . . ?
S22 Cu20 O62 Cu14 85(2) . . . . ?
S22 C240 C241 O59 0.7(17) . . . . ?
S22 C240 C241 C236 178.9(9) . . . . ?
S22 C242 C243 C244 178.2(11) . . . . ?
S22 C242 C247 O60 6.7(14) . . . . ?
S22 C242 C247 C246 -178.4(8) . . . . ?
S23 Cu21 O72 Cu17 91.9(19) . . . . ?
S23 Cu21 O73 Cu17 -84.3(17) . . . . ?
S23 C246 C247 O60 5.8(14) . . . . ?
S23 C246 C247 C242 -169.0(8) . . . . ?
S23 C248 C249 C250 -173.3(15) . . . . ?
S23 C248 C253 O61 -9.3(17) . . . . ?
S23 C248 C253 C252 179.4(9) . . . . ?
S24 Cu22 O78 Cu23 94.5(18) . . . . ?
S24 C230 C231 C232 179.5(10) . . . . ?
S24 C230 C235 O58 -6.0(12) . . . . ?
S24 C230 C235 C234 175.5(7) . . . . ?
S24 C252 C253 O61 4.8(17) . . . . ?
S24 C252 C253 C248 176.2(9) . . . . ?
O50 Cu23 O78 Cu22 -177.1(16) 2_657 . . . ?
O50 Cu24 O76 Cu16 165.6(19) 2_657 . . . ?
O51 Cu13 O70 Cu18 2(6) . . . . ?
O51 Cu23 O78 Cu22 -12(5) 2_657 . . . ?
O52 Cu13 O70 Cu18 -172.4(14) . . . . ?
O52 Cu14 O62 Cu20 1(7) . . . . ?
O53 Cu14 O62 Cu20 -169.9(17) . . . . ?
O53 Cu24 O76 Cu16 -19(7) 2_657 . . . ?
O54 Cu18 O70 Cu13 -4(6) . . . . ?
O55 Cu16 O76 Cu24 31(9) . . . . ?
O56 Cu16 O76 Cu24 -167(2) . . . . ?
O56 Cu17 O72 Cu21 -11(6) . . . . ?
O56 Cu17 O73 Cu21 167.5(15) . . . . ?
O57 Cu17 O72 Cu21 -176.4(17) . . . . ?
O57 Cu17 O73 Cu21 -20(5) . . . . ?
O57 Cu18 O70 Cu13 170.6(14) . . . . ?
O58 Cu19 O83 Cu15 178(2) . . . 2_657 ?
O58 Cu19 O67 Cu15 -5(6) . . . 2_657 ?
O58 Cu22 O78 Cu23 15(5) . . . . ?
O59 Cu19 O83 Cu15 15(7) . . . 2_657 ?
O59 Cu19 O67 Cu15 -175.3(18) . . . 2_657 ?
O59 Cu20 O62 Cu14 167.5(18) . . . . ?
O60 Cu20 O62 Cu14 -10(7) . . . . ?
O60 Cu21 O72 Cu17 175.7(18) . . . . ?
O60 Cu21 O73 Cu17 17(5) . . . . ?
O61 Cu21 O72 Cu17 16(6) . . . . ?
O61 Cu21 O73 Cu17 -167.4(14) . . . . ?
O61 Cu22 O78 Cu23 177.1(15) . . . . ?
O79 Cu22 O78 Cu23 -9.3(15) . . . . ?
O79 Cu23 O78 Cu22 9.4(15) . . . . ?
C150 S16 C172 C171 91.1(12) . . . . ?
C150 S16 C172 C173 -89.3(10) . . . . ?
C150 C151 C152 C153 2.6(17) . . . . ?
C150 C151 C152 C174 173.2(13) . . . . ?
C151 C150 C155 O50 180.0(9) . . . . ?
C151 C150 C155 C154 3.6(15) . . . . ?
C151 C152 C153 C154 0.8(16) . . . . ?
C151 C152 C174 C175 25(2) . . . . ?
C151 C152 C174 C176 -103(2) . . . . ?
C151 C152 C174 C177 130.1(15) . . . . ?
C152 C153 C154 S13 179.5(9) . . . . ?
C152 C153 C154 C155 -1.7(17) . . . . ?
C153 C152 C174 C175 -164.5(12) . . . . ?
C153 C152 C174 C176 68(2) . . . . ?
C153 C152 C174 C177 -59.4(18) . . . . ?
C153 C154 C155 O50 -176.9(9) . . . . ?
C153 C154 C155 C150 -0.7(16) . . . . ?
C154 S13 C156 C157 -82.3(10) . . . . ?
C154 S13 C156 C161 93.8(10) . . . . ?
C155 C150 C151 C152 -4.9(17) . . . . ?
C156 S13 C154 C153 89.4(9) . . . . ?
C156 S13 C154 C155 -89.3(9) . . . . ?
C156 C157 C158 C159 1.0(17) . . . . ?
C156 C157 C158 C178 -176.5(11) . . . . ?
C157 C156 C161 O51 174.0(10) . . . . ?
C157 C156 C161 C160 -6.1(17) . . . . ?
C157 C158 C159 C160 -1.1(17) . . . . ?
C157 C158 C178 C179 48.9(16) . . . . ?
C157 C158 C178 C180 -68.9(15) . . . . ?
C157 C158 C178 C181 168.7(11) . . . . ?
C158 C159 C160 S14 177.5(9) . . . . ?
C158 C159 C160 C161 -2.3(18) . . . . ?
C159 C158 C178 C179 -128.4(12) . . . . ?
C159 C158 C178 C180 113.8(14) . . . . ?
C159 C158 C178 C181 -8.6(17) . . . . ?
C159 C160 C161 O51 -174.4(10) . . . . ?
C159 C160 C161 C156 5.7(17) . . . . ?
C160 S14 C162 C163 -90.2(9) . . . . ?
C160 S14 C162 C167 87.1(9) . . . . ?
C161 C156 C157 C158 2.8(18) . . . . ?
C162 S14 C160 C159 82.5(10) . . . . ?
C162 S14 C160 C161 -97.8(10) . . . . ?
C162 C163 C164 C165 -6.0(16) . . . . ?
C162 C163 C164 C182 -180.0(12) . . . . ?
C163 C162 C167 O52 176.9(9) . . . . ?
C163 C162 C167 C166 -1.0(15) . . . . ?
C163 C164 C165 C166 4.4(15) . . . . ?
C163 C164 C182 C183 60.2(19) . . . . ?
C163 C164 C182 C184 -67.1(19) . . . . ?
C163 C164 C182 C185 170.9(15) . . . . ?
C164 C165 C166 S15 175.4(8) . . . . ?
C164 C165 C166 C167 -1.5(16) . . . . ?
C165 C164 C182 C183 -113.2(16) . . . . ?
C165 C164 C182 C184 119.4(16) . . . . ?
C165 C164 C182 C185 -3(2) . . . . ?
C165 C166 C167 O52 -178.3(9) . . . . ?
C165 C166 C167 C162 -0.3(15) . . . . ?
C166 S15 C168 C169 -93.9(10) . . . . ?
C166 S15 C168 C173 87.4(9) . . . . ?
C167 C162 C163 C164 4.4(16) . . . . ?
C168 S15 C166 C165 92.6(9) . . . . ?
C168 S15 C166 C167 -90.5(9) . . . . ?
C168 C169 C170 C171 -7.8(19) . . . . ?
C168 C169 C170 C186 173.4(14) . . . . ?
C169 C168 C173 O53 177.7(9) . . . . ?
C169 C168 C173 C172 -1.1(16) . . . . ?
C169 C170 C171 C172 8(2) . . . . ?
C169 C170 C186 C187 10(2) . . . . ?
C169 C170 C186 C188 -109.7(17) . . . . ?
C169 C170 C186 C189 133.3(15) . . . . ?
C170 C171 C172 S16 174.7(11) . . . . ?
C170 C171 C172 C173 -5(2) . . . . ?
C171 C170 C186 C187 -168.6(14) . . . . ?
C171 C170 C186 C188 72(2) . . . . ?
C171 C170 C186 C189 -45(2) . . . . ?
C171 C172 C173 O53 -177.4(12) . . . . ?
C171 C172 C173 C168 1.4(19) . . . . ?
C172 S16 C150 C151 -93.3(10) . . . . ?
C172 S16 C150 C155 94.3(10) . . . . ?
C173 C168 C169 C170 4.9(19) . . . . ?
C174 C152 C153 C154 -170.7(12) . . . . ?
C178 C158 C159 C160 176.3(11) . . . . ?
C182 C164 C165 C166 178.0(12) . . . . ?
C186 C170 C171 C172 -173.5(15) . . . . ?
C190 S20 C212 C211 93.5(10) . . . . ?
C190 S20 C212 C213 -92.0(10) . . . . ?
C190 C191 C192 C193 -2.3(19) . . . . ?
C190 C191 C192 C214 179.7(15) . . . . ?
C191 C190 C195 O54 -179.2(10) . . . . ?
C191 C190 C195 C194 -1.5(16) . . . . ?
C191 C192 C193 C194 4.6(19) . . . . ?
C191 C192 C214 C215 7(2) . . . . ?
C191 C192 C214 C216 -111.1(17) . . . . ?
C191 C192 C214 C217 131.4(19) . . . . ?
C192 C193 C194 S17 175.3(9) . . . . ?
C192 C193 C194 C195 -5.4(17) . . . . ?
C193 C192 C214 C215 -170.8(15) . . . . ?
C193 C192 C214 C216 70.8(18) . . . . ?
C193 C192 C214 C217 -47(3) . . . . ?
C193 C194 C195 O54 -178.5(10) . . . . ?
C193 C194 C195 C190 3.8(15) . . . . ?
C194 S17 C196 C197 -93.4(8) . . . . ?
C194 S17 C196 C201 93.7(9) . . . . ?
C195 C190 C191 C192 0.8(19) . . . . ?
C196 S17 C194 C193 91.3(10) . . . . ?
C196 S17 C194 C195 -88.0(9) . . . . ?
C196 C197 C198 C199 -3.6(15) . . . . ?
C196 C197 C198 C218 175.3(10) . . . . ?
C197 C196 C201 O55 178.7(8) . . . . ?
C197 C196 C201 C200 4.7(14) . . . . ?
C197 C198 C199 C200 4.4(16) . . . . ?
C197 C198 C218 C219 112.9(16) . . . . ?
C197 C198 C218 C220 -17.0(19) . . . . ?
C197 C198 C218 C221 -135.2(14) . . . . ?
C198 C199 C200 S18 178.8(8) . . . . ?
C198 C199 C200 C201 -0.9(15) . . . . ?
C199 C198 C218 C219 -68(2) . . . . ?
C199 C198 C218 C220 161.7(15) . . . . ?
C199 C198 C218 C221 43(2) . . . . ?
C199 C200 C201 O55 -178.0(8) . . . . ?
C199 C200 C201 C196 -4.0(14) . . . . ?
C200 S18 C202 C203 -81.7(10) . . . . ?
C200 S18 C202 C207 97.3(9) . . . . ?
C201 C196 C197 C198 -0.8(14) . . . . ?
C202 S18 C200 C199 93.4(8) . . . . ?
C202 S18 C200 C201 -86.9(9) . . . . ?
C202 C203 C204 C205 5.8(19) . . . . ?
C202 C203 C204 C222 -173.7(12) . . . . ?
C203 C202 C207 O56 176.5(10) . . . . ?
C203 C202 C207 C206 -5.8(16) . . . . ?
C203 C204 C205 C206 -6.3(18) . . . . ?
C203 C204 C222 C223 7.8(18) . . . . ?
C203 C204 C222 C224 -108.8(15) . . . . ?
C203 C204 C222 C225 134.6(13) . . . . ?
C204 C205 C206 S19 -177.5(10) . . . . ?
C204 C205 C206 C207 1.1(17) . . . . ?
C205 C204 C222 C223 -171.6(13) . . . . ?
C205 C204 C222 C224 71.8(15) . . . . ?
C205 C204 C222 C225 -44.7(19) . . . . ?
C205 C206 C207 O56 -176.9(9) . . . . ?
C205 C206 C207 C202 5.3(15) . . . . ?
C206 S19 C208 C209 -94.3(9) . . . . ?
C206 S19 C208 C213 87.0(9) . . . . ?
C207 C202 C203 C204 0.0(19) . . . . ?
C208 S19 C206 C205 83.0(10) . . . . ?
C208 S19 C206 C207 -95.6(9) . . . . ?
C208 C209 C210 C211 2.5(18) . . . . ?
C208 C209 C210 C226 -179.9(17) . . . . ?
C209 C208 C213 O57 -179.5(10) . . . . ?
C209 C208 C213 C212 3.7(15) . . . . ?
C209 C210 C211 C212 -3.1(19) . . . . ?
C209 C210 C226 C227 167.4(18) . . . . ?
C209 C210 C226 C228 50(3) . . . . ?
C209 C210 C226 C229 -69(2) . . . . ?
C210 C211 C212 S20 178.7(10) . . . . ?
C210 C211 C212 C213 4.1(19) . . . . ?
C211 C210 C226 C227 -15(3) . . . . ?
C211 C210 C226 C228 -133.0(18) . . . . ?
C211 C210 C226 C229 108.3(19) . . . . ?
C211 C212 C213 O57 179.2(10) . . . . ?
C211 C212 C213 C208 -4.2(16) . . . . ?
C212 S20 C190 C191 -92.2(10) . . . . ?
C212 S20 C190 C195 90.9(10) . . . . ?
C213 C208 C209 C210 -3.0(17) . . . . ?
C214 C192 C193 C194 -177.3(14) . . . . ?
C218 C198 C199 C200 -174.2(12) . . . . ?
C222 C204 C205 C206 173.1(11) . . . . ?
C226 C210 C211 C212 179.4(17) . . . . ?
C230 S24 C252 C251 104.3(12) . . . . ?
C230 S24 C252 C253 -84.3(11) . . . . ?
C230 C231 C232 C233 6.2(18) . . . . ?
C230 C231 C232 C254 178.4(16) . . . . ?
C231 C230 C235 O58 175.5(8) . . . . ?
C231 C230 C235 C234 -3.0(13) . . . . ?
C231 C232 C233 C234 -6.4(19) . . . . ?
C231 C232 C254 C255 50(3) . . . . ?
C231 C232 C254 C256 -64(2) . . . . ?
C231 C232 C254 C257 177.0(18) . . . . ?
C232 C233 C234 S21 -177.6(11) . . . . ?
C232 C233 C234 C235 2.5(19) . . . . ?
C233 C232 C254 C255 -139(2) . . . . ?
C233 C232 C254 C256 106(2) . . . . ?
C233 C232 C254 C257 -13(3) . . . . ?
C233 C234 C235 O58 -175.5(9) . . . . ?
C233 C234 C235 C230 3.0(14) . . . . ?
C234 S21 C236 C237 -89.3(10) . . . . ?
C234 S21 C236 C241 87.3(11) . . . . ?
C235 C230 C231 C232 -1.9(16) . . . . ?
C236 S21 C234 C233 85.1(10) . . . . ?
C236 S21 C234 C235 -95.0(9) . . . . ?
C236 C237 C238 C239 -2.6(17) . . . . ?
C236 C237 C238 C258 176.8(17) . . . . ?
C237 C236 C241 O59 175.1(11) . . . . ?
C237 C236 C241 C240 -3.2(18) . . . . ?
C237 C238 C239 C240 1.6(17) . . . . ?
C237 C238 C258 C259 61(2) . . . . ?
C237 C238 C258 C260 -49(3) . . . . ?
C237 C238 C258 C261 -180.0(18) . . . . ?
C238 C239 C240 S22 -178.4(10) . . . . ?
C238 C239 C240 C241 -1.5(18) . . . . ?
C239 C238 C258 C259 -120.1(16) . . . . ?
C239 C238 C258 C260 130.8(17) . . . . ?
C239 C238 C258 C261 -1(3) . . . . ?
C239 C240 C241 O59 -176.2(10) . . . . ?
C239 C240 C241 C236 2.1(17) . . . . ?
C240 S22 C242 C243 -86.5(8) . . . . ?
C240 S22 C242 C247 85.8(10) . . . . ?
C241 C236 C237 C238 3.6(19) . . . . ?
C242 S22 C240 C239 92.0(10) . . . . ?
C242 S22 C240 C241 -84.9(11) . . . . ?
C242 C243 C244 C245 -5(2) . . . . ?
C242 C243 C244 C262 -177.1(12) . . . . ?
C243 C242 C247 O60 178.6(9) . . . . ?
C243 C242 C247 C246 -6.5(15) . . . . ?
C243 C244 C245 C246 6(2) . . . . ?
C243 C244 C262 C263 -6(2) . . . . ?
C243 C244 C262 C264 -118.7(17) . . . . ?
C243 C244 C262 C265 114.2(18) . . . . ?
C244 C245 C246 S23 168.9(11) . . . . ?
C244 C245 C246 C247 -8(2) . . . . ?
C245 C244 C262 C263 -177.6(14) . . . . ?
C245 C244 C262 C264 69.8(18) . . . . ?
C245 C244 C262 C265 -57(2) . . . . ?
C245 C246 C247 O60 -177.4(10) . . . . ?
C245 C246 C247 C242 7.8(17) . . . . ?
C246 S23 C248 C249 -104.5(12) . . . . ?
C246 S23 C248 C253 87.7(10) . . . . ?
C247 C242 C243 C244 5.7(17) . . . . ?
C248 S23 C246 C245 86.2(10) . . . . ?
C248 S23 C246 C247 -96.8(9) . . . . ?
C248 C249 C250 C251 0(3) . . . . ?
C248 C249 C250 C266 177.9(16) . . . . ?
C249 C248 C253 O61 -176.6(13) . . . . ?
C249 C248 C253 C252 12.1(19) . . . . ?
C249 C250 C251 C252 -1(3) . . . . ?
C249 C250 C266 C268 4(3) . . . . ?
C249 C250 C266 C270 -116(2) . . . . ?
C249 C250 C266 C272 127(2) . . . . ?
C249 C250 C266 C267 47(3) . . . . ?
C249 C250 C266 C269 -70(2) . . . . ?
C249 C250 C266 C271 169(2) . . . . ?
C250 C251 C252 S24 178.9(14) . . . . ?
C250 C251 C252 C253 8(2) . . . . ?
C251 C250 C266 C268 -178(2) . . . . ?
C251 C250 C266 C270 62(2) . . . . ?
C251 C250 C266 C272 -55(2) . . . . ?
C251 C250 C266 C267 -135(2) . . . . ?
C251 C250 C266 C269 108(2) . . . . ?
C251 C250 C266 C271 -13(3) . . . . ?
C251 C252 C253 O61 175.9(12) . . . . ?
C251 C252 C253 C248 -12.6(19) . . . . ?
C252 S24 C230 C231 -84.8(8) . . . . ?
C252 S24 C230 C235 96.7(9) . . . . ?
C253 C248 C249 C250 -6(3) . . . . ?
C254 C232 C233 C234 -177.8(18) . . . . ?
C258 C238 C239 C240 -177.9(16) . . . . ?
C262 C244 C245 C246 178.5(12) . . . . ?
C266 C250 C251 C252 -178.7(15) . . . . ?
O64 Cu16 O76 Cu24 18.8(18) 2_657 . . . ?
O64 Cu24 O76 Cu16 -18.9(18) 2_657 . . . ?
O66 Cu19 O83 Cu15 -10(2) . . . 2_657 ?
O72 Cu17 O73 Cu21 -7.2(18) . . . . ?
O72 Cu21 O73 Cu17 6.7(16) . . . . ?
O73 Cu17 O72 Cu21 7.1(17) . . . . ?
O73 Cu21 O72 Cu17 -7.4(18) . . . . ?
O68 Cu14 O62 Cu20 14.6(16) . . . . ?
O68 Cu20 O62 Cu14 -14.7(16) . . . . ?
O82 Cu19 O67 Cu15 12.6(17) . . . 2_657 ?
Cl1 Cu1 O14 Cu7 96.0(15) . . . . ?
Cl1 Cu1 O13A Cu7 -111(2) . . . . ?
Cl1 Cu2 O19 Cu10 -109.6(16) . . . . ?
Cl1 Cu3 O29 Cu5 -97.8(16) . . . 2_566 ?
Cl1 Cu12 O25 Cu8 98(2) 2_566 . . . ?
Cl1 Cu12 O43 Cu8 -107(2) 2_566 . . . ?
Cl2 Cu5 O23 Cu3 104(2) . . . 2_566 ?
Cl2 Cu6 O17 Cu11 103.2(18) . . . . ?
Cl2 Cu6 O20 Cu11 -109(2) . . . . ?
Cl2 Cu7 O14 Cu1 -95.5(16) . . . . ?
Cl2 Cu7 O13A Cu1 111(2) . . . . ?
Cl3 Cu8 O25 Cu12 -100(2) . . . . ?
Cl3 Cu8 O43 Cu12 106(2) . . . . ?
Cl3 Cu9 O26 Cu4 101.4(15) . . . 2_566 ?
Cl3 Cu10 O19 Cu2 109.9(16) . . . . ?
Cl3 Cu10 O31 Cu2 -96.5(18) . . . . ?
Cl3 Cu11 O17 Cu6 -102.3(18) . . . . ?
Cl3 Cu11 O20 Cu6 108(2) . . . . ?
S1 Cu1 O14 Cu7 -95.4(15) . . . . ?
S1 Cu1 O13A Cu7 80(3) . . . . ?
S1 C5 C6 O1 3.9(13) . . . . ?
S1 C5 C6 C1 -179.7(8) . . . . ?
S1 C7 C8 C9 -177.6(10) . . . . ?
S1 C7 C12 O2 -4.6(16) . . . . ?
S1 C7 C12 C11 174.7(9) . . . . ?
S2 Cu2 O19 Cu10 81.0(17) . . . . ?
S2 C11 C12 O2 4.3(16) . . . . ?
S2 C11 C12 C7 -175.1(9) . . . . ?
S2 C13 C14 C15 -173.7(12) . . . . ?
S2 C13 C18 O3 -2.4(16) . . . . ?
S2 C13 C18 C17 179.8(9) . . . . ?
S3 Cu3 O29 Cu5 93.0(17) . . . 2_566 ?
S3 C17 C18 O3 1.0(15) . . . . ?
S3 C17 C18 C13 178.9(9) . . . . ?
S3 C19 C20 C21 -170.8(8) . . . . ?
S3 C19 C24 O4 -3.6(14) . . . . ?
S3 C19 C24 C23 175.8(8) . . . . ?
S4 Cu12 O25 Cu8 -93(2) 2_566 . . . ?
S4 Cu12 O43 Cu8 84(2) 2_566 . . . ?
S4 C1 C2 C3 -177.0(16) . . . . ?
S4 C1 C6 O1 -4.4(14) . . . . ?
S4 C1 C6 C5 179.3(7) . . . . ?
S4 C23 C24 O4 3.0(14) . . . . ?
S4 C23 C24 C19 -176.5(8) . . . . ?
S5 C52 C53 O5 13.2(16) . . . . ?
S5 C52 C53 C48 -174.0(9) . . . . ?
S5 C54 C55 C56 175.4(12) . . . . ?
S5 C54 C59 O6 1.5(13) . . . . ?
S5 C54 C59 C58 -179.2(7) . . . . ?
S6 Cu5 O23 Cu3 -87(2) . . . 2_566 ?
S6 C58 C59 O6 2.1(13) . . . . ?
S6 C58 C59 C54 -177.2(8) . . . . ?
S6 C60 C61 C62 -176.6(10) . . . . ?
S6 C60 C65 O7 -4.8(14) . . . . ?
S6 C60 C65 C64 177.4(7) . . . . ?
S7 Cu6 O17 Cu11 -87.4(18) . . . . ?
S7 Cu6 O20 Cu11 79(2) . . . . ?
S7 C64 C65 O7 5.1(13) . . . . ?
S7 C64 C65 C60 -177.1(7) . . . . ?
S7 C66 C67 C68 -179.5(9) . . . . ?
S7 C66 C71 O8 1.7(12) . . . . ?
S7 C66 C71 C70 177.2(6) . . . . ?
S8 Cu7 O14 Cu1 95.6(15) . . . . ?
S8 Cu7 O13A Cu1 -80(2) . . . . ?
S8 C48 C49 C50 -179.6(9) . . . . ?
S8 C48 C53 O5 -8.0(17) . . . . ?
S8 C48 C53 C52 179.7(9) . . . . ?
S8 C70 C71 O8 -3.3(10) . . . . ?
S8 C70 C71 C66 -179.4(6) . . . . ?
S9 Cu8 O25 Cu12 90(2) . . . . ?
S9 Cu8 O43 Cu12 -85(2) . . . . ?
S9 C92 C93 O9 1.3(12) . . . . ?
S9 C92 C93 C88 -178.8(6) . . . . ?
S9 C94 C95 C96 -177.0(11) . . . . ?
S9 C94 C99 O10 -4.5(13) . . . . ?
S9 C94 C99 C98 176.0(7) . . . . ?
S10 Cu9 O26 Cu4 -90.3(16) . . . 2_566 ?
S10 C98 C99 O10 5.7(12) . . . . ?
S10 C98 C99 C94 -174.8(7) . . . . ?
S10 C100 C101 C102 179.1(12) . . . . ?
S10 C100 C105 O11 1.1(18) . . . . ?
S10 C100 C105 C104 179.0(9) . . . . ?
S11 Cu10 O19 Cu2 -81.2(17) . . . . ?
S11 Cu10 O31 Cu2 95.4(18) . . . . ?
S11 C104 C105 O11 -2.8(15) . . . . ?
S11 C104 C105 C100 179.3(10) . . . . ?
S11 C106 C107 C108 -178.3(9) . . . . ?
S11 C106 C111 O12 -7.8(14) . . . . ?
S11 C106 C111 C110 175.6(7) . . . . ?
S12 Cu11 O17 Cu6 88.3(19) . . . . ?
S12 Cu11 O20 Cu6 -84(2) . . . . ?
S12 C88 C89 C90 -178.4(8) . . . . ?
S12 C88 C93 O9 0.0(11) . . . . ?
S12 C88 C93 C92 -180.0(6) . . . . ?
S12 C110 C111 O12 5.9(13) . . . . ?
S12 C110 C111 C106 -177.3(7) . . . . ?
O1 Cu1 O14 Cu7 -26(6) . . . . ?
O1 Cu1 O13A Cu7 163(2) . . . . ?
O1 Cu12 O25 Cu8 -6(5) 2_566 . . . ?
O1 Cu12 O43 Cu8 167.5(19) 2_566 . . . ?
O2 Cu1 O14 Cu7 -177.5(14) . . . . ?
O2 Cu1 O13A Cu7 -28(6) . . . . ?
O2 Cu2 O19 Cu10 164.3(15) . . . . ?
O3 Cu2 O19 Cu10 -27(6) . . . . ?
O3 Cu3 O29 Cu5 175.1(15) . . . 2_566 ?
O4 Cu3 O29 Cu5 18(6) . . . 2_566 ?
O4 Cu12 O25 Cu8 -176.0(18) 2_566 . . . ?
O4 Cu12 O43 Cu8 -24(7) 2_566 . . . ?
O5 Cu7 O14 Cu1 17(4) . . . . ?
O5 Cu7 O13A Cu1 -164(2) . . . . ?
O6 Cu5 O23 Cu3 4(7) . . . 2_566 ?
O7 Cu5 O23 Cu3 -169.5(18) . . . 2_566 ?
O7 Cu6 O17 Cu11 -1(6) . . . . ?
O7 Cu6 O20 Cu11 164(2) . . . . ?
O8 Cu6 O17 Cu11 -170.6(15) . . . . ?
O8 Cu6 O20 Cu11 -16(6) . . . . ?
O8 Cu7 O14 Cu1 176.9(14) . . . . ?
O8 Cu7 O13A Cu1 37(11) . . . . ?
O9 Cu8 O25 Cu12 174.9(18) . . . . ?
O9 Cu8 O43 Cu12 18(6) . . . . ?
O9 Cu11 O17 Cu6 -9(5) . . . . ?
O9 Cu11 O20 Cu6 -168(2) . . . . ?
O10 Cu8 O25 Cu12 4(6) . . . . ?
O10 Cu8 O43 Cu12 -168.4(19) . . . . ?
O10 Cu9 O26 Cu4 -9(6) . . . 2_566 ?
O11 Cu9 O26 Cu4 -172.4(14) . . . 2_566 ?
O11 Cu10 O19 Cu2 27(7) . . . . ?
O11 Cu10 O31 Cu2 176.5(16) . . . . ?
O12 Cu10 O19 Cu2 -164.2(15) . . . . ?
O12 Cu10 O31 Cu2 24(6) . . . . ?
O12 Cu11 O17 Cu6 170.8(17) . . . . ?
O12 Cu11 O20 Cu6 19(6) . . . . ?
C1 S4 C23 C22 93.5(9) . . . . ?
C1 S4 C23 C24 -90.5(9) . . . . ?
C1 C2 C3 C4 1(3) . . . . ?
C1 C2 C3 C29 164.0(17) . . . . ?
C1 C2 C3 C25 -164(2) . . . . ?
C2 C1 C6 O1 180.0(11) . . . . ?
C2 C1 C6 C5 3.6(17) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C2 C3 C29 C30 9(3) . . . . ?
C2 C3 C29 C31 -117(2) . . . . ?
C2 C3 C29 C32 128(2) . . . . ?
C2 C3 C25 C26 -9(4) . . . . ?
C2 C3 C25 C27 -121(3) . . . . ?
C2 C3 C25 C28 122(3) . . . . ?
C3 C4 C5 S1 -179.7(18) . . . . ?
C3 C4 C5 C6 7(3) . . . . ?
C4 C3 C29 C30 171(2) . . . . ?
C4 C3 C29 C31 45(3) . . . . ?
C4 C3 C29 C32 -70(3) . . . . ?
C4 C3 C25 C26 -174(2) . . . . ?
C4 C3 C25 C27 75(3) . . . . ?
C4 C3 C25 C28 -43(4) . . . . ?
C4 C5 C6 O1 177.0(11) . . . . ?
C4 C5 C6 C1 -6.6(16) . . . . ?
C5 S1 C7 C8 -85.0(10) . . . . ?
C5 S1 C7 C12 99.2(10) . . . . ?
C6 C1 C2 C3 -1(2) . . . . ?
C7 S1 C5 C4 96.1(11) . . . . ?
C7 S1 C5 C6 -90.7(9) . . . . ?
C7 C8 C9 C10 2.0(18) . . . . ?
C7 C8 C9 C33 -179.4(11) . . . . ?
C8 C7 C12 O2 179.6(10) . . . . ?
C8 C7 C12 C11 -1.0(18) . . . . ?
C8 C9 C10 C11 0.3(17) . . . . ?
C8 C9 C33 C34 44.7(16) . . . . ?
C8 C9 C33 C35 -73.3(17) . . . . ?
C8 C9 C33 C36 163.3(13) . . . . ?
C9 C10 C11 S2 175.5(9) . . . . ?
C9 C10 C11 C12 -3.0(17) . . . . ?
C10 C9 C33 C34 -136.9(13) . . . . ?
C10 C9 C33 C35 105.2(15) . . . . ?
C10 C9 C33 C36 -18.2(18) . . . . ?
C10 C11 C12 O2 -177.4(10) . . . . ?
C10 C11 C12 C7 3.3(18) . . . . ?
C11 S2 C13 C14 -103.9(12) . . . . ?
C11 S2 C13 C18 81.3(11) . . . . ?
C12 C7 C8 C9 -1.8(18) . . . . ?
C13 S2 C11 C10 85.6(9) . . . . ?
C13 S2 C11 C12 -96.0(11) . . . . ?
C13 C14 C15 C16 -7(2) . . . . ?
C13 C14 C15 C37 175.2(18) . . . . ?
C14 C13 C18 O3 -177.1(12) . . . . ?
C14 C13 C18 C17 5.0(19) . . . . ?
C14 C15 C16 C17 6(2) . . . . ?
C14 C15 C37 C38 58(2) . . . . ?
C14 C15 C37 C39 -55(3) . . . . ?
C14 C15 C37 C40 180(2) . . . . ?
C15 C16 C17 S3 175.6(11) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C15 C37 C38 -119.9(17) . . . . ?
C16 C15 C37 C39 127.3(18) . . . . ?
C16 C15 C37 C40 2(3) . . . . ?
C16 C17 C18 O3 176.4(10) . . . . ?
C16 C17 C18 C13 -5.7(18) . . . . ?
C17 S3 C19 C20 -88.8(9) . . . . ?
C17 S3 C19 C24 93.1(10) . . . . ?
C18 C13 C14 C15 1(2) . . . . ?
C19 S3 C17 C16 101.8(11) . . . . ?
C19 S3 C17 C18 -82.7(11) . . . . ?
C19 C20 C21 C22 -9.2(15) . . . . ?
C19 C20 C21 C41 177.2(10) . . . . ?
C20 C19 C24 O4 178.4(9) . . . . ?
C20 C19 C24 C23 -2.2(15) . . . . ?
C20 C21 C22 C23 6.8(16) . . . . ?
C20 C21 C41 C42 36.0(17) . . . . ?
C20 C21 C41 C43 -73.1(15) . . . . ?
C20 C21 C41 C44 172.8(16) . . . . ?
C20 C21 C41 C45 -8(2) . . . . ?
C20 C21 C41 C46 -133.8(14) . . . . ?
C20 C21 C41 C47 117.9(14) . . . . ?
C21 C22 C23 S4 173.9(8) . . . . ?
C21 C22 C23 C24 -2.1(16) . . . . ?
C22 C21 C41 C42 -137.0(14) . . . . ?
C22 C21 C41 C43 113.8(14) . . . . ?
C22 C21 C41 C44 0(2) . . . . ?
C22 C21 C41 C45 178.6(15) . . . . ?
C22 C21 C41 C46 53.1(16) . . . . ?
C22 C21 C41 C47 -55.2(16) . . . . ?
C22 C23 C24 O4 179.1(9) . . . . ?
C22 C23 C24 C19 -0.4(15) . . . . ?
C23 S4 C1 C2 -93.3(10) . . . . ?
C23 S4 C1 C6 90.6(10) . . . . ?
C24 C19 C20 C21 7.3(16) . . . . ?
C33 C9 C10 C11 -178.2(11) . . . . ?
C37 C15 C16 C17 -175.9(17) . . . . ?
C41 C21 C22 C23 -179.8(11) . . . . ?
C48 S8 C70 C69 96.9(8) . . . . ?
C48 S8 C70 C71 -82.4(7) . . . . ?
C48 C49 C50 C51 2.7(18) . . . . ?
C48 C49 C50 C72 -177.7(11) . . . . ?
C49 C48 C53 O5 175.6(11) . . . . ?
C49 C48 C53 C52 3.3(18) . . . . ?
C49 C50 C51 C52 -2.8(19) . . . . ?
C49 C50 C72 C73 -68.0(16) . . . . ?
C49 C50 C72 C74 168.8(11) . . . . ?
C49 C50 C72 C75 55.1(16) . . . . ?
C50 C51 C52 S5 174.1(10) . . . . ?
C50 C51 C52 C53 3.1(18) . . . . ?
C51 C50 C72 C73 111.7(15) . . . . ?
C51 C50 C72 C74 -11.6(17) . . . . ?
C51 C50 C72 C75 -125.3(13) . . . . ?
C51 C52 C53 O5 -175.9(10) . . . . ?
C51 C52 C53 C48 -3.2(17) . . . . ?
C52 S5 C54 C55 -92.4(10) . . . . ?
C52 S5 C54 C59 85.4(8) . . . . ?
C53 C48 C49 C50 -3.1(19) . . . . ?
C54 S5 C52 C51 85.0(10) . . . . ?
C54 S5 C52 C53 -104.4(10) . . . . ?
C54 C55 C56 C57 4(2) . . . . ?
C54 C55 C56 C76 -178.4(15) . . . . ?
C55 C54 C59 O6 179.3(10) . . . . ?
C55 C54 C59 C58 -1.4(15) . . . . ?
C55 C56 C57 C58 -2(2) . . . . ?
C55 C56 C76 C78 -49(2) . . . . ?
C55 C56 C76 C79 -177.2(18) . . . . ?
C55 C56 C76 C77 73(2) . . . . ?
C56 C57 C58 S6 178.6(10) . . . . ?
C56 C57 C58 C59 -2.1(18) . . . . ?
C57 C56 C76 C78 129.0(18) . . . . ?
C57 C56 C76 C79 0(3) . . . . ?
C57 C56 C76 C77 -109.6(19) . . . . ?
C57 C58 C59 O6 -177.2(9) . . . . ?
C57 C58 C59 C54 3.4(14) . . . . ?
C58 S6 C60 C61 -95.0(10) . . . . ?
C58 S6 C60 C65 91.5(8) . . . . ?
C59 C54 C55 C56 -2(2) . . . . ?
C60 S6 C58 C57 88.9(9) . . . . ?
C60 S6 C58 C59 -90.5(9) . . . . ?
C60 C61 C62 C63 0(2) . . . . ?
C60 C61 C62 C80 173.6(13) . . . . ?
C61 C60 C65 O7 -178.2(10) . . . . ?
C61 C60 C65 C64 4.1(16) . . . . ?
C61 C62 C63 C64 2(2) . . . . ?
C61 C62 C80 C81 17(2) . . . . ?
C61 C62 C80 C82 -102.5(18) . . . . ?
C61 C62 C80 C83 139.4(14) . . . . ?
C62 C63 C64 S7 174.1(11) . . . . ?
C62 C63 C64 C65 -1(2) . . . . ?
C63 C62 C80 C81 -169.6(15) . . . . ?
C63 C62 C80 C82 71(2) . . . . ?
C63 C62 C80 C83 -47.6(19) . . . . ?
C63 C64 C65 O7 -179.5(10) . . . . ?
C63 C64 C65 C60 -1.7(15) . . . . ?
C64 S7 C66 C67 -95.9(8) . . . . ?
C64 S7 C66 C71 84.3(7) . . . . ?
C65 C60 C61 C62 -3.4(19) . . . . ?
C66 S7 C64 C63 93.5(9) . . . . ?
C66 S7 C64 C65 -90.8(8) . . . . ?
C66 C67 C68 C69 3.2(18) . . . . ?
C66 C67 C68 C84 177.8(13) . . . . ?
C67 C66 C71 O8 -178.1(9) . . . . ?
C67 C66 C71 C70 -2.5(13) . . . . ?
C67 C68 C69 C70 -4.3(18) . . . . ?
C67 C68 C84 C85 123(2) . . . . ?
C67 C68 C84 C86 8(2) . . . . ?
C67 C68 C84 C87 -108.7(19) . . . . ?
C68 C69 C70 S8 -177.2(10) . . . . ?
C68 C69 C70 C71 2.1(14) . . . . ?
C69 C68 C84 C85 -62(2) . . . . ?
C69 C68 C84 C86 -177.2(15) . . . . ?
C69 C68 C84 C87 66(2) . . . . ?
C69 C70 C71 O8 177.4(7) . . . . ?
C69 C70 C71 C66 1.3(11) . . . . ?
C70 S8 C48 C49 -83.4(10) . . . . ?
C70 S8 C48 C53 100.0(10) . . . . ?
C71 C66 C67 C68 0.3(16) . . . . ?
C72 C50 C51 C52 177.5(11) . . . . ?
C76 C56 C57 C58 -179.3(15) . . . . ?
C80 C62 C63 C64 -171.2(13) . . . . ?
C84 C68 C69 C70 -179.3(12) . . . . ?
C88 S12 C110 C109 81.4(9) . . . . ?
C88 S12 C110 C111 -99.5(9) . . . . ?
C88 C89 C90 C91 -4.6(16) . . . . ?
C88 C89 C90 C112 -177.7(15) . . . . ?
C89 C88 C93 O9 179.3(9) . . . . ?
C89 C88 C93 C92 -0.6(12) . . . . ?
C89 C90 C91 C92 6.2(18) . . . . ?
C89 C90 C112 C113 -67(2) . . . . ?
C89 C90 C112 C114 179.0(18) . . . . ?
C89 C90 C112 C115 55(3) . . . . ?
C90 C91 C92 S9 175.2(11) . . . . ?
C90 C91 C92 C93 -5.0(17) . . . . ?
C91 C90 C112 C113 122(2) . . . . ?
C91 C90 C112 C114 8(3) . . . . ?
C91 C90 C112 C115 -116(2) . . . . ?
C91 C92 C93 O9 -178.4(8) . . . . ?
C91 C92 C93 C88 1.5(12) . . . . ?
C92 S9 C94 C95 -88.3(10) . . . . ?
C92 S9 C94 C99 95.0(8) . . . . ?
C93 C88 C89 C90 2.3(15) . . . . ?
C94 S9 C92 C91 89.9(9) . . . . ?
C94 S9 C92 C93 -89.9(8) . . . . ?
C94 C95 C96 C97 0(2) . . . . ?
C94 C95 C96 C116 173.9(13) . . . . ?
C95 C94 C99 O10 178.9(10) . . . . ?
C95 C94 C99 C98 -0.6(15) . . . . ?
C95 C96 C97 C98 1(2) . . . . ?
C95 C96 C116 C117 22(2) . . . . ?
C95 C96 C116 C118 -101.8(17) . . . . ?
C95 C96 C116 C119 141.6(15) . . . . ?
C96 C97 C98 S10 174.4(11) . . . . ?
C96 C97 C98 C99 -2.1(18) . . . . ?
C97 C96 C116 C117 -164.4(17) . . . . ?
C97 C96 C116 C118 71.7(19) . . . . ?
C97 C96 C116 C119 -45.0(19) . . . . ?
C97 C98 C99 O10 -177.9(9) . . . . ?
C97 C98 C99 C94 1.7(14) . . . . ?
C98 S10 C100 C101 -95.8(13) . . . . ?
C98 S10 C100 C105 82.9(12) . . . . ?
C99 C94 C95 C96 -0.3(19) . . . . ?
C100 S10 C98 C97 87.3(9) . . . . ?
C100 S10 C98 C99 -96.4(8) . . . . ?
C100 C101 C102 C103 1(2) . . . . ?
C100 C101 C102 C120 -179.6(19) . . . . ?
C101 C100 C105 O11 179.8(12) . . . . ?
C101 C100 C105 C104 -2(2) . . . . ?
C101 C102 C103 C104 -1(2) . . . . ?
C101 C102 C120 C121 138(2) . . . . ?
C101 C102 C120 C122 14(4) . . . . ?
C101 C102 C120 C123 -113(2) . . . . ?
C102 C103 C104 S11 -177.8(11) . . . . ?
C102 C103 C104 C105 -1(2) . . . . ?
C103 C102 C120 C121 -43(3) . . . . ?
C103 C102 C120 C122 -167(2) . . . . ?
C103 C102 C120 C123 66(2) . . . . ?
C103 C104 C105 O11 -179.5(11) . . . . ?
C103 C104 C105 C100 2.6(18) . . . . ?
C104 S11 C106 C107 -82.1(9) . . . . ?
C104 S11 C106 C111 98.7(8) . . . . ?
C105 C100 C101 C102 0(2) . . . . ?
C106 S11 C104 C103 95.3(10) . . . . ?
C106 S11 C104 C105 -81.6(10) . . . . ?
C106 C107 C108 C109 3.7(18) . . . . ?
C106 C107 C108 C124 -177.0(12) . . . . ?
C107 C106 C111 O12 173.1(10) . . . . ?
C107 C106 C111 C110 -3.5(15) . . . . ?
C107 C108 C109 C110 -5.1(17) . . . . ?
C107 C108 C124 C125 -120.4(15) . . . . ?
C107 C108 C124 C126 121.2(13) . . . . ?
C107 C108 C124 C127 8.6(19) . . . . ?
C108 C109 C110 S12 -178.4(9) . . . . ?
C108 C109 C110 C111 2.5(17) . . . . ?
C109 C108 C124 C125 58.9(17) . . . . ?
C109 C108 C124 C126 -59.5(14) . . . . ?
C109 C108 C124 C127 -172.1(13) . . . . ?
C109 C110 C111 O12 -175.0(9) . . . . ?
C109 C110 C111 C106 1.8(15) . . . . ?
C110 S12 C88 C89 -91.1(9) . . . . ?
C110 S12 C88 C93 88.3(7) . . . . ?
C111 C106 C107 C108 0.8(18) . . . . ?
C112 C90 C91 C92 177.8(19) . . . . ?
C116 C96 C97 C98 -172.5(13) . . . . ?
C120 C102 C103 C104 179.9(18) . . . . ?
C124 C108 C109 C110 175.5(11) . . . . ?
C300 N100 C302 O100 -11(5) . . . . ?
C301 N100 C302 O100 156(3) . . . . ?
C303 N101 C305 O101 -5(3) . . . . ?
C304 N101 C305 O101 -174.0(15) . . . . ?
C306 N102 C308 O102 -1.9(16) . . . . ?
C307 N102 C308 O102 -176.2(11) . . . . ?
C309 N103 C311 O103 5(3) . . . . ?
C310 N103 C311 O103 -176.3(19) . . . . ?
C312 N104 C314 O104 -14(3) . . . . ?
C313 N104 C314 O104 172.5(19) . . . . ?
O13 Cu1 O14 Cu7 8.0(14) . . . . ?
O13 Cu7 O14 Cu1 -8.1(14) . . . . ?
O17 Cu6 O20 Cu11 -12(2) . . . . ?
O17 Cu11 O20 Cu6 11.3(19) . . . . ?
O20 Cu6 O17 Cu11 10.6(18) . . . . ?
O20 Cu11 O17 Cu6 -12(2) . . . . ?
O28 Cu5 O23 Cu3 15.9(18) 2_566 . . 2_566 ?
O30 Cu2 O19 Cu10 -19.2(14) . . . . ?
O30 Cu10 O19 Cu2 19.6(14) . . . . ?
O32 Cu8 O25 Cu12 -11.7(18) . . . . ?
O32 Cu12 O25 Cu8 11.7(18) . . . . ?
O81 Cu13 O70 Cu18 12.8(17) 2_657 . . . ?
O81 Cu18 O70 Cu13 -12.5(16) 2_657 . . . ?
C29 C3 C4 C5 -166.2(19) . . . . ?
O15 Cu1 O13A Cu7 -22(2) . . . . ?
O15 Cu7 O13A Cu1 21.9(19) . . . . ?
O18 Cu10 O31 Cu2 -9.4(15) . . . . ?
O22 Cu3 O29 Cu5 -10.2(15) 2_566 . . 2_566 ?
O24 Cu8 O43 Cu12 17.0(17) . . . . ?
O24 Cu12 O43 Cu8 -17.3(18) . . . . ?
C25 C3 C4 C5 160(2) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.849 -0.290 -0.121 7595.9 1885.2 '44 C3H7NO'
2 0.438 0.829 0.286 9.6 0.0 ?
3 0.562 0.171 0.714 9.6 0.0 ?
