#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:11:12 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/57/7705724.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_7705724
loop_
_publ_author_name
'Su, Sen-Da'
'Li, Jia-Xin'
'Xu, Fan'
'Wang, Chen-Xiao'
'Wang, Kai'
'Li, Yan'
'Zhang, Shu-Hua'
'Zhang, Xiu-Qing'
'Zhang, Yi-Quan'
'Liang, Fu-Pei'
_publ_section_title
;
 DyIII single-molecule magnets from ligands incorporating both
 amine and acylhydrazine Schiff base groups: the centrosymmetric
 {Dy₂} displaying dual magnetic relaxation behaviors.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15739
_journal_page_last               15749
_journal_paper_doi               10.1039/c9dt04434e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'2(C88 H76 Dy6 N12 O21), 17.5(C H4 O), 2(H2 O)'
_chemical_formula_sum            'C193.5 H226 Dy12 N24 O61.5'
_chemical_formula_weight         5821.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-10-15
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2020-10-15 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.804(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.8663(14)
_cell_length_b                   25.6934(13)
_cell_length_c                   33.2952(17)
_cell_measurement_reflns_used    9742
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.49
_cell_volume                     21197.6(19)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            232949
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         2.107
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.258
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5973
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_description       block
_exptl_crystal_F_000             11354
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.478
_refine_diff_density_min         -2.328
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2633
_refine_ls_number_reflns         37614
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0539
_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)+(0.0614P)²+230.0560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1204
_refine_ls_wR_factor_ref         0.1476
_reflns_Friedel_coverage         0.000
_reflns_number_gt                25050
_reflns_number_total             37614
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04434e2.cif
_cod_data_source_block           3-dy6
_cod_depositor_comments
'Adding full bibliography for 7705722--7705724.cif.'
_cod_original_formula_sum        'C193.50 H226 Dy12 N24 O61.50'
_cod_database_code               7705724
_shelx_shelxl_version_number     2018/3
_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   0.815
_shelx_estimated_absorpt_t_min   0.727
_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, All C(H,H,H,H,H,H) groups, All O(H) groups, All O(H,H)
  groups
2. Restrained distances
 O61-C195
 1.45 with sigma of 0.01
 O47-C181 = O47A-C181
 1.46 with sigma of 0.01
 O51-C185
 1.46 with sigma of 0.01
 O20-C87
 1.46 with sigma of 0.01
 O64-C196
 1.48 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C181) \\sim Ueq, Uanis(O47) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O47A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O61) \\sim Ueq, Uanis(C195) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C4) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C64)
\\sim Ueq, Uanis(C164) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C100) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C175) \\sim Ueq, Uanis(O41) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O64) \\sim Ueq, Uanis(C196) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O47) = Uanis(O47A)
Uanis(C110) = Uanis(O28)
Uanis(O20) = Uanis(C87)
4. Others
 Fixed Sof: O43(0.5) H43(0.5) C177(0.5) H17M(0.5) H17N(0.5) H17O(0.5) O44(0.5)
 H44(0.5) C178(0.5) H17P(0.5) H17Q(0.5) H17R(0.5) O47(0.75) H47(0.75)
 O47A(0.25) H47A(0.25) H18B(0.75) H18C(0.75) H18D(0.75) H18E(0.25) H18F(0.25)
 H18G(0.25) O51(0.75) H51A(0.75) C185(0.75) H18T(0.75) H18U(0.75) H18V(0.75)
 O58(0.75) H58(0.75) C192(0.75) H19H(0.75) H19I(0.75) H19J(0.75) O60(0.75)
 H60A(0.75) C194(0.75) H19N(0.75) H19O(0.75) H19P(0.75) O61(0.75) H61A(0.75)
 C195(0.75) H19Q(0.75) H19R(0.75) H19S(0.75) O64(0.5) H64A(0.5) C196(0.5)
 H19T(0.5) H19U(0.5) H19V(0.5)
 Fixed U11: C88(0.048273) C173(0.043671) C175(0.041017) O47(0.074928)
 O47A(0.074928) C181(0.074928) O49(0.04816) C183(0.04816) C194(0.074928)
 Fixed U12: C88(0.001288) C173(-0.006109) C175(-0.008599) O47(-0.001808) O47A(-
 0.001808) C181(-0.001808) O49(-0.008687) C183(-0.008687) C194(-0.001808)
 Fixed U13: C88(-0.003012) C173(0.015021) C175(0.025595) O47(0.003155)
 O47A(0.003155) C181(0.003155) O49(-0.009929) C183(-0.009929) C194(0.003155)
 Fixed U22: C88(0.06297) C173(0.05685) C175(0.0645) O47(0.04136) O47A(0.04136)
 C181(0.04136) O49(0.0656) C183(0.0656) C194(0.04136)
 Fixed U23: C88(0.00366) C173(-0.02105) C175(-0.01625) O47(-0.00129) O47A(-
 0.00129) C181(-0.00129) O49(-0.01079) C183(-0.01079) C194(-0.00129)
 Fixed U33: C88(0.04826) C173(0.05674) C175(0.06681) O47(0.08998)
 O47A(0.08998) C181(0.08998) O49(0.06919) C183(0.06919) C194(0.08998)
5.a Riding coordinates:
 O4(H4), O5(H5), O12(H12), O13(H13), O18(H18), O19(H19), O20(H20), O21(H21),
 C87(H87A,H87B,H87C), O23(H23A), O24(H24A), O33(H33A), O34(H34A), O39(H39A),
 O40(H40A), O41(H41A), O42(H42A), O43(H43), O44(H44), O45(H45A), C179(H17S,H17T,
 H17U), O46(H46), O47(H47), O47A(H47A), O48(H48A), O49(H49), O50(H50),
 C184(H18Q,H18R,H18S), O51(H51A), O52(H52A), O53(H53A), O54(H54A), O55(H55),
 O56(H56), O57(H57A), O58(H58), O59(H59), O60(H60A), O61(H61A), O62(H62A,H62B),
 O63(H63A,H63B), O64(H64A)
5.b Me refined with riding coordinates:
 C176(H17J,H17K,H17L)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12A), C15(H15), C18(H18A),
 C19(H19A), C20(H20A), C21(H21A), C22(H22), C23(H23), C24(H24), C25(H25),
 C28(H28), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37),
  C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C45(H45), C48(H48),
 C51(H51), C52(H52), C53(H53), C54(H54), C57(H57), C60(H60), C61(H61), C62(H62),
  C63(H63), C64(H64), C65(H65), C66(H66), C67(H67), C70(H70), C73(H73),
 C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79), C80(H80), C81(H81),
  C82(H82), C83(H83), C84(H84), C90(H90), C93(H93), C94(H94), C95(H95),
 C96(H96), C99(H99), C102(H102), C103(H103), C104(H104), C105(H105), C106(H106),
  C107(H107), C108(H108), C109(H109), C111(H111), C114(H114), C115(H115),
 C116(H116), C117(H117), C120(H120), C123(H123), C124(H124), C125(H125),
 C126(H126), C127(H127), C128(H128), C129(H129), C130(H130), C133(H133),
 C136(H136), C139(H139), C140(H140), C141(H141), C142(H142), C145(H145),
 C148(H148), C149(H149), C150(H150), C151(H151), C152(H152), C153(H153),
 C154(H154), C155(H155), C158(H158), C161(H161), C162(H162), C163(H163),
 C164(H164), C165(H165), C166(H166), C167(H167), C168(H168), C169(H169),
 C170(H170), C171(H171), C172(H172)
5.d Idealised Me refined as rotating group:
 C85(H85A,H85B,H85C), C86(H86A,H86B,H86C), C88(H88A,H88B,H88C), C173(H17A,H17B,
 H17C), C174(H17D,H17E,H17F), C175(H17G,H17H,H17I), C177(H17M,H17N,H17O),
 C178(H17P,H17Q,H17R), C180(H18H,H18I,H18J), C181(H18B,H18C,H18D), C181(H18E,
 H18F,H18G), C182(H18K,H18L,H18M), C183(H18N,H18O,H18P), C185(H18T,H18U,H18V),
 C186(H18W,H18X,H18Y), C187(H18Z,H,HA), C188(H1,HB,HC), C189(H2,HD,HE),
 C190(H19B,H19C,H19D), C191(H19E,H19F,H19G), C192(H19H,H19I,H19J), C193(H19K,
 H19L,H19M), C194(H19N,H19O,H19P), C195(H19Q,H19R,H19S), C196(H19T,H19U,H19V)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Dy1 Dy -0.22909(2) 0.33288(2) 0.33748(2) 0.01622(11) Uani 1 1 d . . . . .
Dy2 Dy -0.16684(2) 0.21696(2) 0.32347(2) 0.01555(11) Uani 1 1 d . . . . .
Dy3 Dy -0.16428(2) 0.21613(2) 0.42426(2) 0.01541(11) Uani 1 1 d . . . . .
Dy4 Dy -0.12308(2) 0.34058(2) 0.40660(2) 0.01564(11) Uani 1 1 d . . . . .
Dy5 Dy -0.08864(2) 0.28418(2) 0.50360(2) 0.01496(11) Uani 1 1 d . . . . .
Dy6 Dy -0.25839(2) 0.26676(2) 0.24355(2) 0.01605(11) Uani 1 1 d . . . . .
O1 O -0.1715(3) 0.2770(2) 0.37365(19) 0.0163(15) Uani 1 1 d . . . . .
O2 O -0.1434(3) 0.3782(2) 0.3433(2) 0.0221(17) Uani 1 1 d . . . . .
O3 O -0.0852(3) 0.3657(2) 0.47088(19) 0.0170(15) Uani 1 1 d . . . . .
O4 O -0.1670(3) 0.2952(2) 0.45825(18) 0.0153(15) Uani 1 1 d . . . . .
H4 H -0.202728 0.303945 0.466297 0.023 Uiso 1 1 d R U . . .
O5 O -0.0820(3) 0.2666(2) 0.43433(19) 0.0173(15) Uani 1 1 d . . . . .
H5 H -0.057422 0.245606 0.423672 0.026 Uiso 1 1 d R U . . .
O6 O -0.1206(3) 0.1992(2) 0.48823(19) 0.0166(15) Uani 1 1 d . . . . .
O7 O -0.2149(3) 0.1713(2) 0.3738(2) 0.0175(15) Uani 1 1 d . . . . .
O8 O -0.1532(3) 0.3133(2) 0.5416(2) 0.0204(16) Uani 1 1 d . . . . .
O9 O -0.0027(3) 0.2579(3) 0.5003(2) 0.0229(16) Uani 1 1 d . . . . .
O10 O -0.2137(3) 0.3742(2) 0.40036(19) 0.0163(15) Uani 1 1 d . . . . .
O11 O -0.2779(3) 0.3473(2) 0.27473(19) 0.0195(16) Uani 1 1 d . . . . .
O12 O -0.1813(3) 0.2936(2) 0.28649(19) 0.0170(15) Uani 1 1 d . . . . .
H12 H -0.154273 0.313437 0.273932 0.026 Uiso 1 1 d R U . . .
O13 O -0.2579(3) 0.2517(2) 0.31400(19) 0.0156(15) Uani 1 1 d . . . . .
H13 H -0.280808 0.232467 0.328098 0.023 Uiso 1 1 d R U . . .
O14 O -0.2050(3) 0.1920(2) 0.2593(2) 0.0210(16) Uani 1 1 d . . . . .
O15 O -0.1067(3) 0.1844(2) 0.3750(2) 0.0202(16) Uani 1 1 d . . . . .
O16 O -0.2094(3) 0.3146(3) 0.2040(2) 0.0228(17) Uani 1 1 d . . . . .
O17 O -0.3295(3) 0.2129(2) 0.2460(2) 0.0210(16) Uani 1 1 d . . . . .
O18 O -0.0364(3) 0.3330(3) 0.3812(2) 0.0298(19) Uani 1 1 d . . . . .
H18 H -0.011765 0.320431 0.398861 0.045 Uiso 1 1 d R U . . .
O19 O -0.2466(3) 0.2168(3) 0.4579(2) 0.0266(18) Uani 1 1 d . . . . .
H19 H -0.251639 0.243462 0.473381 0.040 Uiso 1 1 d R U . . .
O20 O -0.0836(4) 0.2324(3) 0.2959(2) 0.046(2) Uani 1 1 d D . . A 3
H20 H -0.058306 0.212154 0.307153 0.068 Uiso 1 1 d R U . A 3
O21 O -0.3144(3) 0.3247(3) 0.3652(2) 0.0297(18) Uani 1 1 d . . . . .
H21 H -0.342698 0.344648 0.359642 0.045 Uiso 1 1 d R U . . .
N1 N -0.0915(3) 0.4325(3) 0.4136(2) 0.0192(19) Uani 1 1 d . . . . .
N2 N -0.0763(3) 0.4517(3) 0.4531(2) 0.0196(19) Uani 1 1 d . . . . .
N3 N -0.1355(4) 0.1111(3) 0.4837(2) 0.020(2) Uani 1 1 d . . . . .
N4 N -0.1686(3) 0.1245(3) 0.4485(2) 0.0185(19) Uani 1 1 d . . . . .
N5 N -0.0824(3) 0.2282(3) 0.5658(2) 0.0188(19) Uani 1 1 d . . . . .
N6 N -0.0305(4) 0.3464(3) 0.5460(2) 0.0197(19) Uani 1 1 d . . . . .
N7 N -0.2680(3) 0.4214(3) 0.3267(2) 0.0186(19) Uani 1 1 d . . . . .
N8 N -0.2907(4) 0.4341(3) 0.2870(2) 0.0196(19) Uani 1 1 d . . . . .
N9 N -0.1722(4) 0.1085(3) 0.2652(2) 0.021(2) Uani 1 1 d . . . . .
N10 N -0.1440(3) 0.1278(3) 0.3017(2) 0.0187(19) Uani 1 1 d . . . . .
N11 N -0.2502(3) 0.2138(3) 0.1814(2) 0.0174(18) Uani 1 1 d . . . . .
N12 N -0.3390(4) 0.3124(3) 0.2060(2) 0.020(2) Uani 1 1 d . . . . .
C1 C -0.1282(4) 0.4192(4) 0.3230(3) 0.020(2) Uani 1 1 d . . . . .
C2 C -0.0951(4) 0.4594(4) 0.3428(3) 0.020(2) Uani 1 1 d . . . . .
C3 C -0.0822(4) 0.4656(4) 0.3864(3) 0.022(2) Uani 1 1 d . . . . .
H3 H -0.065203 0.497218 0.395176 0.026 Uiso 1 1 calc R U . . .
C4 C -0.0770(4) 0.4145(3) 0.4799(3) 0.017(2) Uani 1 1 d . U . . .
C5 C -0.1109(4) 0.1516(4) 0.5006(3) 0.022(2) Uani 1 1 d . . . . .
C6 C -0.1992(4) 0.0858(4) 0.4340(3) 0.020(2) Uani 1 1 d . . . . .
H6 H -0.197834 0.054523 0.449207 0.024 Uiso 1 1 calc R U . . .
C7 C -0.2343(4) 0.0862(4) 0.3975(3) 0.018(2) Uani 1 1 d . . . . .
C8 C -0.2396(4) 0.1254(4) 0.3690(3) 0.020(2) Uani 1 1 d . . . . .
C9 C -0.2729(4) 0.1164(4) 0.3329(3) 0.019(2) Uani 1 1 d . . . . .
H9 H -0.275642 0.142411 0.312511 0.023 Uiso 1 1 calc R U . . .
C10 C -0.3013(4) 0.0707(4) 0.3268(3) 0.026(3) Uani 1 1 d . . . . .
H10 H -0.323098 0.065339 0.302313 0.032 Uiso 1 1 calc R U . . .
C11 C -0.2980(5) 0.0321(4) 0.3563(3) 0.029(3) Uani 1 1 d . . . . .
H11 H -0.318467 0.000971 0.352593 0.035 Uiso 1 1 calc R U . . .
C12 C -0.2650(5) 0.0398(4) 0.3908(3) 0.026(3) Uani 1 1 d . . . . .
H12A H -0.262488 0.013366 0.410856 0.032 Uiso 1 1 calc R U . . .
C13 C -0.0696(4) 0.1420(4) 0.5345(3) 0.019(2) Uani 1 1 d . . . . .
C14 C -0.0561(5) 0.1785(4) 0.5644(3) 0.030(3) Uani 1 1 d . . . . .
C15 C -0.0971(4) 0.2419(4) 0.6000(3) 0.020(2) Uani 1 1 d . . . . .
H15 H -0.090324 0.217602 0.621346 0.024 Uiso 1 1 calc R U . . .
C16 C -0.1232(4) 0.2903(4) 0.6103(3) 0.020(2) Uani 1 1 d . . . . .
C17 C -0.1505(4) 0.3227(4) 0.5809(3) 0.023(2) Uani 1 1 d . . . . .
C18 C -0.1772(5) 0.3668(4) 0.5952(3) 0.025(3) Uani 1 1 d . . . . .
H18A H -0.196673 0.388801 0.576223 0.030 Uiso 1 1 calc R U . . .
C19 C -0.1760(5) 0.3793(5) 0.6358(4) 0.032(3) Uani 1 1 d . . . . .
H19A H -0.193768 0.409645 0.644242 0.039 Uiso 1 1 calc R U . . .
C20 C -0.1484(5) 0.3465(5) 0.6642(3) 0.032(3) Uani 1 1 d . . . . .
H20A H -0.146795 0.354776 0.692051 0.038 Uiso 1 1 calc R U . . .
C21 C -0.1233(4) 0.3019(4) 0.6513(3) 0.025(3) Uani 1 1 d . . . . .
H21A H -0.105862 0.279035 0.670654 0.030 Uiso 1 1 calc R U . . .
C22 C -0.0145(5) 0.1678(4) 0.5936(3) 0.025(3) Uani 1 1 d . . . . .
H22 H -0.005013 0.193117 0.613731 0.030 Uiso 1 1 calc R U . . .
C23 C 0.0142(5) 0.1205(4) 0.5942(4) 0.034(3) Uani 1 1 d . . . . .
H23 H 0.042455 0.113764 0.614536 0.041 Uiso 1 1 calc R U . . .
C24 C 0.0003(5) 0.0834(4) 0.5640(3) 0.031(3) Uani 1 1 d . . . . .
H24 H 0.018628 0.051013 0.563824 0.037 Uiso 1 1 calc R U . . .
C25 C -0.0409(5) 0.0949(4) 0.5345(3) 0.026(3) Uani 1 1 d . . . . .
H25 H -0.049779 0.070294 0.513679 0.031 Uiso 1 1 calc R U . . .
C26 C 0.0381(4) 0.2530(4) 0.5285(3) 0.018(2) Uani 1 1 d . . . . .
C27 C 0.0464(4) 0.2879(4) 0.5615(3) 0.021(2) Uani 1 1 d . . . . .
C28 C 0.0150(4) 0.3341(4) 0.5655(3) 0.021(2) Uani 1 1 d . . . . .
H28 H 0.029231 0.358639 0.584905 0.025 Uiso 1 1 calc R U . . .
C29 C -0.0515(4) 0.3959(4) 0.5547(3) 0.018(2) Uani 1 1 d . . . . .
C30 C -0.0720(4) 0.4303(4) 0.5237(3) 0.017(2) Uani 1 1 d . . . . .
C31 C -0.0902(5) 0.4797(4) 0.5344(3) 0.031(3) Uani 1 1 d . . . . .
H31 H -0.103062 0.503381 0.513902 0.037 Uiso 1 1 calc R U . . .
C32 C -0.0898(6) 0.4941(4) 0.5741(3) 0.038(3) Uani 1 1 d . . . . .
H32 H -0.103465 0.527322 0.580606 0.045 Uiso 1 1 calc R U . . .
C33 C -0.0701(5) 0.4617(4) 0.6045(3) 0.032(3) Uani 1 1 d . . . . .
H33 H -0.069319 0.472308 0.631865 0.038 Uiso 1 1 calc R U . . .
C34 C -0.0514(5) 0.4131(4) 0.5945(3) 0.027(3) Uani 1 1 d . . . . .
H34 H -0.037846 0.390529 0.615543 0.032 Uiso 1 1 calc R U . . .
C35 C 0.0905(4) 0.2789(4) 0.5902(3) 0.025(3) Uani 1 1 d . . . . .
H35 H 0.095801 0.302081 0.612379 0.031 Uiso 1 1 calc R U . . .
C36 C 0.1260(5) 0.2384(5) 0.5877(3) 0.034(3) Uani 1 1 d . . . . .
H36 H 0.155035 0.233611 0.607839 0.041 Uiso 1 1 calc R U . . .
C37 C 0.1186(5) 0.2041(5) 0.5547(4) 0.034(3) Uani 1 1 d . . . . .
H37 H 0.142824 0.175958 0.552139 0.041 Uiso 1 1 calc R U . . .
C38 C 0.0757(5) 0.2118(4) 0.5262(3) 0.030(3) Uani 1 1 d . . . . .
H38 H 0.071193 0.188381 0.504089 0.036 Uiso 1 1 calc R U . . .
C39 C -0.0777(5) 0.5002(4) 0.3182(4) 0.031(3) Uani 1 1 d . . . . .
H39 H -0.056040 0.527253 0.330443 0.037 Uiso 1 1 calc R U . . .
C40 C -0.0914(5) 0.5019(4) 0.2769(3) 0.028(3) Uani 1 1 d . . . . .
H40 H -0.078527 0.529234 0.261071 0.034 Uiso 1 1 calc R U . . .
C41 C -0.1241(5) 0.4630(4) 0.2591(3) 0.028(3) Uani 1 1 d . . . . .
H41 H -0.133633 0.463884 0.230916 0.034 Uiso 1 1 calc R U . . .
C42 C -0.1429(5) 0.4235(4) 0.2818(3) 0.028(3) Uani 1 1 d . . . . .
H42 H -0.166546 0.398341 0.269035 0.034 Uiso 1 1 calc R U . . .
C43 C -0.2272(4) 0.4185(4) 0.4167(3) 0.020(2) Uani 1 1 d . . . . .
C44 C -0.2550(4) 0.4598(4) 0.3943(3) 0.019(2) Uani 1 1 d . . . . .
C45 C -0.2737(4) 0.4585(4) 0.3518(3) 0.019(2) Uani 1 1 d . . . . .
H45 H -0.292230 0.488564 0.341410 0.022 Uiso 1 1 calc R U . . .
C46 C -0.2929(4) 0.3942(4) 0.2630(3) 0.018(2) Uani 1 1 d . . . . .
C47 C -0.2033(4) 0.1443(4) 0.2476(3) 0.022(2) Uani 1 1 d . . . . .
C48 C -0.1110(4) 0.0935(4) 0.3187(3) 0.022(2) Uani 1 1 d . . . . .
H48 H -0.108403 0.061318 0.304983 0.026 Uiso 1 1 calc R U . . .
C49 C -0.0778(4) 0.0990(4) 0.3564(3) 0.023(2) Uani 1 1 d . . . . .
C50 C -0.0751(4) 0.1425(3) 0.3818(3) 0.015(2) Uani 1 1 d . U . . .
C51 C -0.0393(5) 0.1413(4) 0.4174(3) 0.025(3) Uani 1 1 d . . . . .
H51 H -0.037887 0.170072 0.435432 0.030 Uiso 1 1 calc R U . . .
C52 C -0.0062(5) 0.0982(4) 0.4261(3) 0.028(3) Uani 1 1 d . . . . .
H52 H 0.017243 0.097596 0.450134 0.033 Uiso 1 1 calc R U . . .
C53 C -0.0072(5) 0.0561(4) 0.3997(4) 0.034(3) Uani 1 1 d . . . . .
H53 H 0.016395 0.027356 0.404904 0.040 Uiso 1 1 calc R U . . .
C54 C -0.0430(5) 0.0569(4) 0.3663(3) 0.028(3) Uani 1 1 d . U . . .
H54 H -0.044436 0.027587 0.348906 0.034 Uiso 1 1 calc R U . . .
C55 C -0.2410(4) 0.1270(4) 0.2140(3) 0.019(2) Uani 1 1 d . . . . .
C56 C -0.2631(4) 0.1596(4) 0.1819(3) 0.017(2) Uani 1 1 d . . . . .
C57 C -0.2425(4) 0.2333(4) 0.1463(3) 0.021(2) Uani 1 1 d . . . . .
H57 H -0.242541 0.209083 0.124766 0.026 Uiso 1 1 calc R U . . .
C58 C -0.2341(4) 0.2869(4) 0.1360(3) 0.019(2) Uani 1 1 d . . . . .
C59 C -0.2152(4) 0.3251(4) 0.1651(3) 0.023(2) Uani 1 1 d . . . . .
C60 C -0.2029(5) 0.3745(4) 0.1507(3) 0.029(3) Uani 1 1 d . . . . .
H60 H -0.189221 0.400238 0.169329 0.034 Uiso 1 1 calc R U . . .
C61 C -0.2100(5) 0.3870(4) 0.1107(3) 0.028(3) Uani 1 1 d . . . . .
H61 H -0.202089 0.421290 0.102280 0.034 Uiso 1 1 calc R U . . .
C62 C -0.2288(4) 0.3501(4) 0.0819(3) 0.024(2) Uani 1 1 d . . . . .
H62 H -0.234717 0.359122 0.054191 0.028 Uiso 1 1 calc R U . . .
C63 C -0.2383(4) 0.3006(4) 0.0948(3) 0.024(2) Uani 1 1 d . . . . .
H63 H -0.248054 0.274512 0.075309 0.028 Uiso 1 1 calc R U . . .
C64 C -0.3002(4) 0.1390(4) 0.1533(3) 0.026(3) Uani 1 1 d . U . . .
H64 H -0.314889 0.161092 0.132263 0.031 Uiso 1 1 calc R U . . .
C65 C -0.3174(5) 0.0876(4) 0.1535(3) 0.028(3) Uani 1 1 d . . . . .
H65 H -0.343505 0.074930 0.133356 0.034 Uiso 1 1 calc R U . . .
C66 C -0.2951(5) 0.0551(4) 0.1842(3) 0.028(3) Uani 1 1 d . . . . .
H66 H -0.305718 0.019609 0.184954 0.034 Uiso 1 1 calc R U . . .
C67 C -0.2579(4) 0.0742(3) 0.2133(3) 0.018(2) Uani 1 1 d . . . . .
H67 H -0.243071 0.051354 0.233743 0.022 Uiso 1 1 calc R U . . .
C68 C -0.3756(4) 0.2028(4) 0.2257(3) 0.021(2) Uani 1 1 d . . . . .
C69 C -0.4052(4) 0.2403(4) 0.2022(3) 0.019(2) Uani 1 1 d . . . . .
C70 C -0.3860(4) 0.2925(4) 0.1958(3) 0.021(2) Uani 1 1 d . . . . .
H70 H -0.411477 0.315359 0.182180 0.026 Uiso 1 1 calc R U . . .
C71 C -0.3314(4) 0.3650(4) 0.1932(3) 0.018(2) Uani 1 1 d . . . . .
C72 C -0.3098(4) 0.4038(4) 0.2198(3) 0.016(2) Uani 1 1 d . . . . .
C73 C -0.3048(4) 0.4542(4) 0.2041(3) 0.027(3) Uani 1 1 d . . . . .
H73 H -0.290004 0.480776 0.221546 0.033 Uiso 1 1 calc R U . . .
C74 C -0.3206(5) 0.4670(4) 0.1643(3) 0.027(3) Uani 1 1 d . . . . .
H74 H -0.317007 0.501523 0.154643 0.032 Uiso 1 1 calc R U . . .
C75 C -0.3415(5) 0.4279(4) 0.1395(3) 0.030(3) Uani 1 1 d . . . . .
H75 H -0.352795 0.435636 0.112198 0.036 Uiso 1 1 calc R U . . .
C76 C -0.3464(4) 0.3776(4) 0.1536(3) 0.021(2) Uani 1 1 d . . . . .
H76 H -0.360378 0.351221 0.135595 0.025 Uiso 1 1 calc R U . . .
C77 C -0.4567(5) 0.2282(4) 0.1847(3) 0.027(3) Uani 1 1 d . . . . .
H77 H -0.476919 0.254483 0.170209 0.032 Uiso 1 1 calc R U . . .
C78 C -0.4795(4) 0.1787(4) 0.1878(3) 0.023(2) Uani 1 1 d . . . . .
H78 H -0.514145 0.170982 0.175026 0.028 Uiso 1 1 calc R U . . .
C79 C -0.4504(4) 0.1420(4) 0.2097(3) 0.029(3) Uani 1 1 d . . . . .
H79 H -0.465776 0.108509 0.212569 0.034 Uiso 1 1 calc R U . . .
C80 C -0.3989(4) 0.1517(4) 0.2280(3) 0.022(2) Uani 1 1 d . . . . .
H80 H -0.379265 0.124639 0.242013 0.027 Uiso 1 1 calc R U . . .
C81 C -0.2665(5) 0.5057(4) 0.4155(3) 0.027(3) Uani 1 1 d . . . . .
H81 H -0.284330 0.533423 0.400906 0.032 Uiso 1 1 calc R U . . .
C82 C -0.2535(5) 0.5123(4) 0.4556(3) 0.032(3) Uani 1 1 d . . . . .
H82 H -0.262309 0.543716 0.468612 0.039 Uiso 1 1 calc R U . . .
C83 C -0.2269(4) 0.4723(4) 0.4774(3) 0.026(3) Uani 1 1 d . . . . .
H83 H -0.217932 0.476186 0.505494 0.031 Uiso 1 1 calc R U . . .
C84 C -0.2137(4) 0.4271(4) 0.4583(3) 0.020(2) Uani 1 1 d . . . . .
H84 H -0.194760 0.400708 0.473649 0.024 Uiso 1 1 calc R U . . .
C85 C -0.0117(5) 0.3485(5) 0.3461(4) 0.044(4) Uani 1 1 d . . . . .
H85A H -0.038666 0.348592 0.322894 0.066 Uiso 1 1 calc R U . . .
H85B H 0.017300 0.324039 0.341106 0.066 Uiso 1 1 calc R U . . .
H85C H 0.003430 0.383524 0.350064 0.066 Uiso 1 1 calc R U . . .
C86 C -0.2913(5) 0.1821(5) 0.4583(4) 0.046(4) Uani 1 1 d . . . . .
H86A H -0.298210 0.165949 0.431703 0.070 Uiso 1 1 calc R U . . .
H86B H -0.323342 0.201471 0.464902 0.070 Uiso 1 1 calc R U . . .
H86C H -0.283098 0.154962 0.478603 0.070 Uiso 1 1 calc R U . . .
C87 C -0.0630(5) 0.2540(5) 0.2622(3) 0.046(2) Uani 1 1 d D . . A 3
H87A H -0.087511 0.245286 0.238613 0.068 Uiso 1 1 d R U . A 3
H87B H -0.027111 0.239606 0.258843 0.068 Uiso 1 1 d R U . A 3
H87C H -0.060381 0.291936 0.264903 0.068 Uiso 1 1 d R U . A 3
C88 C -0.3196(6) 0.3031(6) 0.4028(4) 0.053 Uani 1 1 d . . . . .
H88A H -0.328033 0.266003 0.399774 0.080 Uiso 1 1 calc R U . . .
H88B H -0.348694 0.320752 0.415477 0.080 Uiso 1 1 calc R U . . .
H88C H -0.285626 0.307339 0.419650 0.080 Uiso 1 1 calc R U . . .
Dy7 Dy 0.30857(2) 0.20735(2) 0.31391(2) 0.01688(11) Uani 1 1 d . . . . .
Dy8 Dy 0.31353(2) 0.20486(2) 0.41517(2) 0.01745(11) Uani 1 1 d . . . . .
Dy9 Dy 0.38039(2) 0.31620(2) 0.39775(2) 0.01959(12) Uani 1 1 d . . . . .
Dy10 Dy 0.26995(2) 0.33135(2) 0.33382(2) 0.01739(11) Uani 1 1 d . . . . .
Dy11 Dy 0.23597(2) 0.28038(2) 0.23460(2) 0.01580(11) Uani 1 1 d . . . . .
Dy12 Dy 0.40775(2) 0.25250(2) 0.49413(2) 0.01895(12) Uani 1 1 d . . . . .
O22 O 0.3169(3) 0.2651(3) 0.3654(2) 0.0194(16) Uani 1 1 d . . . . .
O23 O 0.2264(3) 0.2589(2) 0.30436(18) 0.0152(14) Uani 1 1 d . . . . .
H23A H 0.192352 0.252139 0.314559 0.023 Uiso 1 1 d R U . . .
O24 O 0.3120(3) 0.2865(2) 0.28108(19) 0.0177(15) Uani 1 1 d . . . . .
H24A H 0.343107 0.292177 0.276312 0.05(4) Uiso 1 1 d R . . . .
O25 O 0.2324(3) 0.3598(3) 0.26988(19) 0.0197(16) Uani 1 1 d . . . . .
O26 O 0.2952(3) 0.3654(3) 0.3973(2) 0.0246(17) Uani 1 1 d . . . . .
O27 O 0.1489(3) 0.2544(3) 0.2326(2) 0.0273(18) Uani 1 1 d . . . . .
O28 O 0.2653(3) 0.1949(2) 0.2486(2) 0.0190(13) Uani 1 1 d . . . . .
O29 O 0.3603(3) 0.1617(3) 0.3632(2) 0.0219(16) Uani 1 1 d . . . . .
O30 O 0.3015(3) 0.3123(3) 0.19810(19) 0.0197(16) Uani 1 1 d . . . . .
O31 O 0.3614(3) 0.3626(3) 0.33717(19) 0.0214(16) Uani 1 1 d . . . . .
O32 O 0.4320(3) 0.3297(3) 0.4595(2) 0.0249(17) Uani 1 1 d . . . . .
O33 O 0.4055(3) 0.2344(2) 0.42402(19) 0.0163(15) Uani 1 1 d . . . . .
H33A H 0.432160 0.213759 0.413448 0.024 Uiso 1 1 d R U . . .
O34 O 0.3329(3) 0.2816(2) 0.45086(19) 0.0182(15) Uani 1 1 d . . . . .
H34A H 0.310675 0.304425 0.457801 0.027 Uiso 1 1 d R U . . .
O35 O 0.3497(3) 0.1805(3) 0.4799(2) 0.0218(16) Uani 1 1 d . . . . .
O36 O 0.2518(3) 0.1726(3) 0.3642(2) 0.0208(16) Uani 1 1 d . . . . .
O37 O 0.3634(3) 0.3060(3) 0.5338(2) 0.0270(18) Uani 1 1 d . . . . .
O38 O 0.4717(3) 0.1928(3) 0.4939(2) 0.0303(18) Uani 1 1 d . . . . .
O39 O 0.1823(3) 0.3306(3) 0.3579(3) 0.046(2) Uani 1 1 d . . . . .
H39A H 0.158857 0.308245 0.347141 0.069 Uiso 1 1 d R U . . .
O40 O 0.4504(3) 0.2872(3) 0.3596(2) 0.0332(19) Uani 1 1 d . . . . .
H40A H 0.471852 0.263280 0.370715 0.050 Uiso 1 1 d R U . . .
O41 O 0.2322(3) 0.2316(3) 0.4447(3) 0.035(2) Uani 1 1 d . U . . .
H41A H 0.236845 0.240023 0.471418 0.053 Uiso 1 1 d R U . . .
O42 O 0.3921(3) 0.2083(3) 0.2823(2) 0.0290(18) Uani 1 1 d . . . . .
H42A H 0.395737 0.230769 0.262957 0.044 Uiso 1 1 d R U . . .
N13 N 0.2315(4) 0.4452(3) 0.2896(3) 0.024(2) Uani 1 1 d . . . . .
N14 N 0.2488(4) 0.4260(3) 0.3285(3) 0.025(2) Uani 1 1 d . . . . .
N15 N 0.1802(4) 0.3465(3) 0.1928(2) 0.021(2) Uani 1 1 d . . . . .
N16 N 0.2817(3) 0.1062(3) 0.2509(3) 0.022(2) Uani 1 1 d . . . . .
N17 N 0.3115(3) 0.1177(3) 0.2880(2) 0.0196(19) Uani 1 1 d . . . . .
N18 N 0.2318(3) 0.2289(3) 0.1710(2) 0.0187(19) Uani 1 1 d . . . . .
N19 N 0.4366(4) 0.3969(3) 0.4022(2) 0.022(2) Uani 1 1 d . . . . .
N20 N 0.4656(4) 0.4079(3) 0.4403(3) 0.026(2) Uani 1 1 d . . . . .
N21 N 0.3082(4) 0.1004(3) 0.4771(3) 0.023(2) Uani 1 1 d . . . . .
N22 N 0.2813(3) 0.1203(3) 0.4410(2) 0.0185(19) Uani 1 1 d . . . . .
N23 N 0.3952(4) 0.2026(3) 0.5584(3) 0.023(2) Uani 1 1 d . . . . .
N24 N 0.4941(4) 0.2922(3) 0.5280(3) 0.027(2) Uani 1 1 d . . . . .
C89 C 0.2281(4) 0.4094(4) 0.2619(3) 0.020(2) Uani 1 1 d . . . . .
C90 C 0.2593(5) 0.4628(4) 0.3540(3) 0.030(3) Uani 1 1 d . . . . .
H90 H 0.250011 0.497007 0.345045 0.036 Uiso 1 1 calc R U . . .
C91 C 0.2833(5) 0.4582(4) 0.3943(3) 0.025(3) Uani 1 1 d . . . . .
C92 C 0.3019(5) 0.4125(4) 0.4148(3) 0.028(3) Uani 1 1 d . . . . .
C93 C 0.3269(5) 0.4168(4) 0.4537(3) 0.024(3) Uani 1 1 d . . . . .
H93 H 0.337656 0.386043 0.468005 0.029 Uiso 1 1 calc R U . . .
C94 C 0.3364(5) 0.4636(5) 0.4716(4) 0.035(3) Uani 1 1 d . . . . .
H94 H 0.354928 0.464790 0.497752 0.042 Uiso 1 1 calc R U . . .
C95 C 0.3198(5) 0.5095(5) 0.4532(4) 0.038(3) Uani 1 1 d . . . . .
H95 H 0.326383 0.542107 0.466135 0.046 Uiso 1 1 calc R U . . .
C96 C 0.2932(5) 0.5064(4) 0.4148(3) 0.033(3) Uani 1 1 d . . . . .
H96 H 0.281110 0.537702 0.401780 0.040 Uiso 1 1 calc R U . . .
C97 C 0.2243(4) 0.4281(4) 0.2188(3) 0.020(2) Uani 1 1 d . . . . .
C98 C 0.2038(4) 0.3971(4) 0.1863(3) 0.019(2) Uani 1 1 d . . . . .
C99 C 0.1347(4) 0.3389(4) 0.1730(3) 0.020(2) Uani 1 1 d . . . . .
H99 H 0.121332 0.366189 0.155710 0.025 Uiso 1 1 calc R U . . .
C100 C 0.1010(4) 0.2925(4) 0.1742(3) 0.022(2) Uani 1 1 d . U . . .
C101 C 0.1086(4) 0.2536(4) 0.2043(3) 0.021(2) Uani 1 1 d . . . . .
C102 C 0.0701(4) 0.2132(5) 0.2041(3) 0.029(3) Uani 1 1 d . . . . .
H102 H 0.073807 0.186882 0.224151 0.035 Uiso 1 1 calc R U . . .
C103 C 0.0281(5) 0.2117(5) 0.1758(4) 0.036(3) Uani 1 1 d . . . . .
H103 H 0.003163 0.183752 0.176466 0.043 Uiso 1 1 calc R U . . .
C104 C 0.0192(5) 0.2493(5) 0.1452(4) 0.037(3) Uani 1 1 d . . . . .
H104 H -0.010654 0.247018 0.125569 0.044 Uiso 1 1 calc R U . . .
C105 C 0.0557(4) 0.2897(4) 0.1450(3) 0.025(3) Uani 1 1 d . . . . .
H105 H 0.050574 0.316057 0.125061 0.030 Uiso 1 1 calc R U . . .
C106 C 0.2063(5) 0.4147(4) 0.1476(3) 0.026(3) Uani 1 1 d . . . . .
H106 H 0.192728 0.393502 0.125655 0.032 Uiso 1 1 calc R U . . .
C107 C 0.2287(4) 0.4638(4) 0.1400(3) 0.025(2) Uani 1 1 d . . . . .
H107 H 0.230012 0.476062 0.113145 0.030 Uiso 1 1 calc R U . . .
C108 C 0.2483(5) 0.4932(4) 0.1718(3) 0.032(3) Uani 1 1 d . . . . .
H108 H 0.263120 0.526472 0.167108 0.039 Uiso 1 1 calc R U . . .
C109 C 0.2470(4) 0.4757(4) 0.2108(3) 0.026(3) Uani 1 1 d . . . . .
H109 H 0.261901 0.496560 0.232487 0.031 Uiso 1 1 calc R U . . .
C110 C 0.2582(4) 0.1486(4) 0.2342(3) 0.0190(13) Uani 1 1 d . . . . .
C111 C 0.3385(4) 0.0780(4) 0.3024(3) 0.017(2) Uani 1 1 d . . . . .
H111 H 0.337773 0.048101 0.285609 0.020 Uiso 1 1 calc R U . . .
C112 C 0.3694(4) 0.0733(4) 0.3405(3) 0.023(2) Uani 1 1 d . . . . .
C113 C 0.3785(4) 0.1136(4) 0.3697(3) 0.023(2) Uani 1 1 d . . . . .
C114 C 0.4090(5) 0.1013(4) 0.4060(3) 0.027(3) Uani 1 1 d . . . . .
H114 H 0.416545 0.128233 0.425217 0.032 Uiso 1 1 calc R U . . .
C115 C 0.4285(5) 0.0519(4) 0.4152(3) 0.030(3) Uani 1 1 d . . . . .
H115 H 0.448112 0.044967 0.440293 0.035 Uiso 1 1 calc R U . . .
C116 C 0.4186(5) 0.0122(4) 0.3864(4) 0.035(3) Uani 1 1 d . . . . .
H116 H 0.431666 -0.021986 0.391964 0.042 Uiso 1 1 calc R U . . .
C117 C 0.3905(5) 0.0229(4) 0.3510(3) 0.028(3) Uani 1 1 d . . . . .
H117 H 0.384443 -0.004422 0.331936 0.034 Uiso 1 1 calc R U . . .
C118 C 0.2192(4) 0.1402(4) 0.1984(3) 0.017(2) Uani 1 1 d . . . . .
C119 C 0.2060(4) 0.1794(4) 0.1694(3) 0.022(2) Uani 1 1 d . . . . .
C120 C 0.2465(4) 0.2446(4) 0.1366(3) 0.021(2) Uani 1 1 d . . . . .
H120 H 0.239253 0.221875 0.114234 0.025 Uiso 1 1 calc R U . . .
C121 C 0.2734(4) 0.2944(4) 0.1287(3) 0.018(2) Uani 1 1 d . . . . .
C122 C 0.3011(4) 0.3247(4) 0.1594(3) 0.022(2) Uani 1 1 d . . . . .
C123 C 0.3301(4) 0.3677(4) 0.1474(3) 0.025(2) Uani 1 1 d . . . . .
H123 H 0.350249 0.387792 0.167312 0.030 Uiso 1 1 calc R U . . .
C124 C 0.3303(5) 0.3820(4) 0.1074(3) 0.029(3) Uani 1 1 d . . . . .
H124 H 0.350282 0.411637 0.100211 0.035 Uiso 1 1 calc R U . . .
C125 C 0.3016(5) 0.3533(4) 0.0777(3) 0.029(3) Uani 1 1 d . . . . .
H125 H 0.300291 0.364212 0.050400 0.034 Uiso 1 1 calc R U . . .
C126 C 0.2754(5) 0.3093(4) 0.0877(3) 0.027(3) Uani 1 1 d . . . . .
H126 H 0.258079 0.288260 0.066969 0.032 Uiso 1 1 calc R U . . .
C127 C 0.1664(4) 0.1682(4) 0.1388(3) 0.023(2) Uani 1 1 d . . . . .
H127 H 0.155807 0.194863 0.119984 0.028 Uiso 1 1 calc R U . . .
C128 C 0.1415(5) 0.1201(4) 0.1342(3) 0.035(3) Uani 1 1 d . . . . .
H128 H 0.115678 0.113436 0.112105 0.042 Uiso 1 1 calc R U . . .
C129 C 0.1555(5) 0.0815(5) 0.1629(4) 0.036(3) Uani 1 1 d . . . . .
H129 H 0.138962 0.048133 0.160664 0.043 Uiso 1 1 calc R U . . .
C130 C 0.1929(5) 0.0921(4) 0.1941(3) 0.029(3) Uani 1 1 d . . . . .
H130 H 0.201491 0.065824 0.213716 0.034 Uiso 1 1 calc R U . . .
C131 C 0.3798(4) 0.4030(3) 0.3175(3) 0.014(2) Uani 1 1 d . . . . .
C132 C 0.4203(4) 0.4362(4) 0.3343(3) 0.023(2) Uani 1 1 d . . . . .
C133 C 0.4445(4) 0.4322(4) 0.3766(3) 0.024(3) Uani 1 1 d . . . . .
H133 H 0.468624 0.459228 0.385513 0.029 Uiso 1 1 calc R U . . .
C134 C 0.4582(4) 0.3732(4) 0.4675(3) 0.021(2) Uani 1 1 d . . . . .
C135 C 0.3439(4) 0.1342(4) 0.4933(3) 0.022(2) Uani 1 1 d . . . . .
C136 C 0.2402(4) 0.0918(4) 0.4275(3) 0.022(2) Uani 1 1 d . . . . .
H136 H 0.231735 0.063080 0.443743 0.026 Uiso 1 1 calc R U . . .
C137 C 0.2060(5) 0.0993(4) 0.3903(3) 0.027(3) Uani 1 1 d . . . . .
C138 C 0.2151(4) 0.1361(4) 0.3596(3) 0.019(2) Uani 1 1 d . . . . .
C139 C 0.1816(4) 0.1332(4) 0.3229(3) 0.027(3) Uani 1 1 d . . . . .
H139 H 0.187930 0.156079 0.301344 0.032 Uiso 1 1 calc R U . . .
C140 C 0.1403(5) 0.0979(4) 0.3183(3) 0.030(3) Uani 1 1 d . . . . .
H140 H 0.118503 0.097105 0.293475 0.037 Uiso 1 1 calc R U . . .
C141 C 0.1289(5) 0.0623(5) 0.3491(4) 0.038(3) Uani 1 1 d . . . . .
H141 H 0.099598 0.038520 0.345765 0.045 Uiso 1 1 calc R U . . .
C142 C 0.1622(5) 0.0642(4) 0.3838(4) 0.032(3) Uani 1 1 d . . . . .
H142 H 0.155716 0.040528 0.404826 0.038 Uiso 1 1 calc R U . . .
C143 C 0.3795(4) 0.1142(4) 0.5279(3) 0.021(2) Uani 1 1 d . . . . .
C144 C 0.4047(4) 0.1481(4) 0.5582(3) 0.021(2) Uani 1 1 d . . . . .
C145 C 0.3861(4) 0.2228(4) 0.5930(3) 0.023(2) Uani 1 1 d . . . . .
H145 H 0.383780 0.199302 0.614828 0.028 Uiso 1 1 calc R U . . .
C146 C 0.3791(4) 0.2781(4) 0.6017(3) 0.024(2) Uani 1 1 d . . . . .
C147 C 0.3682(5) 0.3166(4) 0.5732(3) 0.030(3) Uani 1 1 d . . . . .
C148 C 0.3607(5) 0.3680(4) 0.5869(4) 0.036(3) Uani 1 1 d . . . . .
H148 H 0.352133 0.394727 0.567676 0.043 Uiso 1 1 calc R U . . .
C149 C 0.3653(5) 0.3805(5) 0.6270(4) 0.036(3) Uani 1 1 d . . . . .
H149 H 0.361073 0.415484 0.635314 0.044 Uiso 1 1 calc R U . . .
C150 C 0.3764(5) 0.3414(5) 0.6554(3) 0.033(3) Uani 1 1 d . . . . .
H150 H 0.380174 0.349649 0.683309 0.039 Uiso 1 1 calc R U . . .
C151 C 0.3819(4) 0.2909(5) 0.6431(3) 0.028(3) Uani 1 1 d . . . . .
H151 H 0.387769 0.264206 0.662679 0.033 Uiso 1 1 calc R U . . .
C152 C 0.4400(4) 0.1266(4) 0.5888(3) 0.024(2) Uani 1 1 d . . . . .
H152 H 0.457258 0.148694 0.608821 0.028 Uiso 1 1 calc R U . . .
C153 C 0.4500(5) 0.0740(5) 0.5903(4) 0.037(3) Uani 1 1 d . . . . .
H153 H 0.473133 0.060091 0.611805 0.045 Uiso 1 1 calc R U . . .
C154 C 0.4266(5) 0.0410(5) 0.5608(4) 0.036(3) Uani 1 1 d . . . . .
H154 H 0.433785 0.004732 0.561796 0.043 Uiso 1 1 calc R U . . .
C155 C 0.3927(5) 0.0617(4) 0.5299(4) 0.033(3) Uani 1 1 d . . . . .
H155 H 0.377841 0.039198 0.509237 0.040 Uiso 1 1 calc R U . . .
C156 C 0.5191(4) 0.1793(4) 0.5120(3) 0.026(3) Uani 1 1 d . . . . .
C157 C 0.5540(5) 0.2161(4) 0.5330(3) 0.026(3) Uani 1 1 d . . . . .
C158 C 0.5394(5) 0.2691(5) 0.5380(3) 0.032(3) Uani 1 1 d . . . . .
H158 H 0.566948 0.290679 0.550437 0.038 Uiso 1 1 calc R U . . .
C159 C 0.4923(5) 0.3467(4) 0.5383(3) 0.027(3) Uani 1 1 d . . . . .
C160 C 0.4769(5) 0.3842(4) 0.5098(3) 0.028(3) Uani 1 1 d . . . . .
C161 C 0.4767(6) 0.4365(4) 0.5215(4) 0.042(3) Uani 1 1 d . . . . .
H161 H 0.467054 0.462581 0.501975 0.050 Uiso 1 1 calc R U . . .
C162 C 0.4903(6) 0.4506(5) 0.5606(4) 0.052(4) Uani 1 1 d . . . . .
H162 H 0.489641 0.486336 0.568000 0.062 Uiso 1 1 calc R U . . .
C163 C 0.5049(6) 0.4135(5) 0.5894(4) 0.050(4) Uani 1 1 d . . . . .
H163 H 0.514066 0.423368 0.616650 0.059 Uiso 1 1 calc R U . . .
C164 C 0.5060(5) 0.3608(5) 0.5779(3) 0.034(3) Uani 1 1 d . U . . .
H164 H 0.516140 0.334929 0.597464 0.041 Uiso 1 1 calc R U . . .
C165 C 0.6048(5) 0.1988(5) 0.5491(3) 0.031(3) Uani 1 1 d . . . . .
H165 H 0.628657 0.223337 0.562501 0.037 Uiso 1 1 calc R U . . .
C166 C 0.6218(6) 0.1481(5) 0.5463(4) 0.045(4) Uani 1 1 d . . . . .
H166 H 0.656552 0.137573 0.557394 0.054 Uiso 1 1 calc R U . . .
C167 C 0.5860(6) 0.1123(5) 0.5266(4) 0.049(4) Uani 1 1 d . . . . .
H167 H 0.596382 0.076849 0.525080 0.058 Uiso 1 1 calc R U . . .
C168 C 0.5370(5) 0.1273(5) 0.5097(4) 0.039(3) Uani 1 1 d . . . . .
H168 H 0.514210 0.102289 0.495933 0.047 Uiso 1 1 calc R U . . .
C169 C 0.4388(5) 0.4777(4) 0.3124(3) 0.030(3) Uani 1 1 d . . . . .
H169 H 0.465846 0.500115 0.324668 0.037 Uiso 1 1 calc R U . . .
C170 C 0.4184(5) 0.4868(4) 0.2730(3) 0.032(3) Uani 1 1 d . . . . .
H170 H 0.431019 0.515372 0.258252 0.039 Uiso 1 1 calc R U . . .
C171 C 0.3794(5) 0.4536(4) 0.2554(3) 0.025(2) Uani 1 1 d . . . . .
H171 H 0.365329 0.459313 0.228360 0.030 Uiso 1 1 calc R U . . .
C172 C 0.3607(4) 0.4127(4) 0.2765(3) 0.023(2) Uani 1 1 d . . . . .
H172 H 0.334414 0.390141 0.263619 0.027 Uiso 1 1 calc R U . . .
C173 C 0.1600(6) 0.3576(6) 0.3896(4) 0.052 Uani 1 1 d . . . . .
H17A H 0.143923 0.390269 0.379228 0.079 Uiso 1 1 calc R U . . .
H17B H 0.188480 0.365148 0.410908 0.079 Uiso 1 1 calc R U . . .
H17C H 0.132138 0.336051 0.400464 0.079 Uiso 1 1 calc R U . . .
C174 C 0.4754(5) 0.3086(5) 0.3258(4) 0.034(3) Uani 1 1 d . . . . .
H17D H 0.463494 0.289150 0.301383 0.051 Uiso 1 1 calc R U . . .
H17E H 0.514691 0.306087 0.330808 0.051 Uiso 1 1 calc R U . . .
H17F H 0.464977 0.345238 0.322349 0.051 Uiso 1 1 calc R U . . .
C175 C 0.1769(6) 0.2173(6) 0.4401(5) 0.057 Uani 1 1 d . U . . .
H17G H 0.166396 0.209517 0.411737 0.086 Uiso 1 1 calc R U . . .
H17H H 0.154871 0.246004 0.449015 0.086 Uiso 1 1 calc R U . . .
H17I H 0.171296 0.186352 0.456511 0.086 Uiso 1 1 calc R U . . .
C176 C 0.4365(5) 0.1726(5) 0.2838(4) 0.041(3) Uani 1 1 d . . . . .
H17J H 0.464002 0.185688 0.266918 0.061 Uiso 1 1 calc R U . . .
H17K H 0.452086 0.169155 0.311657 0.061 Uiso 1 1 calc R U . . .
H17L H 0.423693 0.138554 0.273741 0.061 Uiso 1 1 calc R U . . .
O43 O -0.1025(9) 0.2991(8) 0.2260(6) 0.064(6) Uani 0.5 1 d . . P B 1
H43 H -0.137484 0.306882 0.208151 0.096 Uiso 0.5 1 d R U P B 1
C177 C -0.0630(14) 0.3372(12) 0.2133(10) 0.069(10) Uani 0.5 1 d . . P B 1
H17M H -0.071055 0.345362 0.184671 0.103 Uiso 0.5 1 calc R U P B 1
H17N H -0.026563 0.322452 0.217475 0.103 Uiso 0.5 1 calc R U P B 1
H17O H -0.064975 0.369014 0.229285 0.103 Uiso 0.5 1 calc R U P B 1
O44 O 0.0223(8) 0.4125(8) 0.1853(5) 0.050(5) Uani 0.5 1 d . . P C 2
H44 H 0.021990 0.443962 0.192158 0.076 Uiso 0.5 1 d R U P C 2
C178 C -0.0232(14) 0.3880(11) 0.1974(8) 0.060(9) Uani 0.5 1 d . . P C 2
H17P H -0.054291 0.396522 0.178454 0.090 Uiso 0.5 1 calc R U P C 2
H17Q H -0.030009 0.399958 0.224432 0.090 Uiso 0.5 1 calc R U P C 2
H17R H -0.017534 0.350282 0.197744 0.090 Uiso 0.5 1 calc R U P C 2
O45 O -0.4038(4) 0.3796(4) 0.3556(3) 0.061(3) Uani 1 1 d . . . . .
H45A H -0.420303 0.392066 0.374770 0.091 Uiso 1 1 d R U . . .
C179 C -0.4184(7) 0.4161(6) 0.3246(5) 0.070(5) Uani 1 1 d . . . . .
H17S H -0.401282 0.406223 0.300263 0.104 Uiso 1 1 d R U . . .
H17T H -0.405882 0.450733 0.333453 0.104 Uiso 1 1 d R U . . .
H17U H -0.457672 0.416603 0.318743 0.104 Uiso 1 1 d R U . . .
O46 O -0.2643(4) -0.0120(4) 0.4864(3) 0.057(3) Uani 1 1 d . . . . .
H46 H -0.286047 -0.034444 0.476500 0.086 Uiso 1 1 d R U . . .
C180 C -0.2809(7) 0.0298(5) 0.5084(5) 0.066(5) Uani 1 1 d . . . . .
H18H H -0.303359 0.053051 0.490676 0.100 Uiso 1 1 calc R U . . .
H18I H -0.249295 0.048925 0.520158 0.100 Uiso 1 1 calc R U . . .
H18J H -0.301965 0.017181 0.530043 0.100 Uiso 1 1 calc R U . . .
O47 O -0.4898(6) 0.2122(5) 0.3934(4) 0.069 Uani 0.75 1 d D U P D 1
H47 H -0.494088 0.180024 0.396475 0.103 Uiso 0.75 1 d R U P D 1
O47A O -0.4786(17) 0.2880(10) 0.4364(13) 0.069 Uani 0.25 1 d D U P D 2
H47A H -0.451538 0.299814 0.452082 0.103 Uiso 0.25 1 d R U P D 2
C181 C -0.4554(6) 0.2397(5) 0.4233(5) 0.069 Uani 1 1 d D U . . .
H18B H -0.432416 0.264019 0.409917 0.103 Uiso 0.75 1 calc R U P D 1
H18C H -0.432800 0.214677 0.439224 0.103 Uiso 0.75 1 calc R U P D 1
H18D H -0.477745 0.258992 0.441099 0.103 Uiso 0.75 1 calc R U P D 1
H18E H -0.483568 0.218929 0.408428 0.103 Uiso 0.25 1 calc R U P D 2
H18F H -0.440380 0.220048 0.446857 0.103 Uiso 0.25 1 calc R U P D 2
H18G H -0.426744 0.247403 0.405738 0.103 Uiso 0.25 1 calc R U P D 2
O48 O 0.1066(5) 0.3025(5) 0.2970(3) 0.077(3) Uani 1 1 d . . . . .
H48A H 0.113609 0.279993 0.279945 0.116 Uiso 1 1 d R U . . .
C182 C 0.0877(7) 0.3500(8) 0.2763(4) 0.083(7) Uani 1 1 d . . . . .
H18K H 0.114732 0.361678 0.258455 0.125 Uiso 1 1 calc R U . . .
H18L H 0.082211 0.377156 0.296193 0.125 Uiso 1 1 calc R U . . .
H18M H 0.053583 0.343032 0.260301 0.125 Uiso 1 1 calc R U . . .
O49 O -0.4266(4) 0.4193(4) 0.4266(3) 0.061 Uani 1 1 d . . . . .
H49 H -0.456102 0.430217 0.434743 0.091 Uiso 1 1 d R U . . .
C183 C -0.3903(6) 0.4283(6) 0.4594(5) 0.061 Uani 1 1 d . . . . .
H18N H -0.353684 0.430135 0.450542 0.091 Uiso 1 1 calc R U . . .
H18O H -0.392239 0.399900 0.478832 0.091 Uiso 1 1 calc R U . . .
H18P H -0.398990 0.461302 0.472099 0.091 Uiso 1 1 calc R U . . .
O50 O 0.0076(4) 0.0864(4) 0.2746(3) 0.070(3) Uani 1 1 d . . . . .
H50 H -0.003317 0.075962 0.296834 0.105 Uiso 1 1 d R U . . .
C184 C -0.0163(7) 0.0998(7) 0.2345(5) 0.077(5) Uani 1 1 d . . . . .
H18Q H 0.012232 0.111274 0.217926 0.115 Uiso 1 1 d R U . . .
H18R H -0.042578 0.127974 0.236436 0.115 Uiso 1 1 d R U . . .
H18S H -0.034418 0.069204 0.222226 0.115 Uiso 1 1 d R U . . .
O51 O -0.1411(6) 0.0117(5) 0.5292(4) 0.065(4) Uani 0.75 1 d D . P . .
H51A H -0.151585 0.037764 0.514932 0.097 Uiso 0.75 1 d R U P . .
C185 C -0.1247(8) -0.0298(6) 0.5025(6) 0.059(6) Uani 0.75 1 d D . P . .
H18T H -0.154645 -0.037996 0.482465 0.088 Uiso 0.75 1 calc R U P . .
H18U H -0.114865 -0.060981 0.518407 0.088 Uiso 0.75 1 calc R U P . .
H18V H -0.093503 -0.018171 0.488660 0.088 Uiso 0.75 1 calc R U P . .
O52 O -0.5979(3) 0.2880(3) 0.2286(2) 0.0300(18) Uani 1 1 d . . . . .
H52A H -0.626845 0.296405 0.215403 0.045 Uiso 1 1 d R U . . .
C186 C -0.5561(5) 0.3236(5) 0.2198(4) 0.033(3) Uani 1 1 d . . . . .
H18W H -0.558603 0.330729 0.190809 0.049 Uiso 1 1 calc R U . . .
H18X H -0.520812 0.308182 0.228051 0.049 Uiso 1 1 calc R U . . .
H18Y H -0.560260 0.356101 0.234584 0.049 Uiso 1 1 calc R U . . .
O53 O -0.2538(3) 0.2898(3) 0.5152(2) 0.036(2) Uani 1 1 d . . . . .
H53A H -0.225172 0.298097 0.528802 0.054 Uiso 1 1 d R U . . .
C187 C -0.2937(5) 0.3281(5) 0.5199(4) 0.041(3) Uani 1 1 d . . . . .
H18Z H -0.285337 0.359398 0.504682 0.062 Uiso 1 1 calc R U . . .
H H -0.294151 0.336898 0.548467 0.062 Uiso 1 1 calc R U . . .
HA H -0.329073 0.314674 0.509668 0.062 Uiso 1 1 calc R U . . .
O54 O 0.0403(3) 0.3117(3) 0.4405(2) 0.0302(19) Uani 1 1 d . . . . .
H54A H 0.055790 0.288599 0.455922 0.045 Uiso 1 1 d R U . . .
C188 C 0.0558(6) 0.3591(5) 0.4606(4) 0.050(4) Uani 1 1 d . . . . .
H1 H 0.095103 0.359990 0.465998 0.074 Uiso 1 1 calc R U . . .
HB H 0.038869 0.361076 0.486104 0.074 Uiso 1 1 calc R U . . .
HC H 0.043973 0.388668 0.443499 0.074 Uiso 1 1 calc R U . . .
O55 O -0.3648(4) 0.2049(3) 0.3225(3) 0.043(2) Uani 1 1 d . . . . .
H55 H -0.362347 0.183440 0.300678 0.065 Uiso 1 1 d R U . . .
C189 C -0.4033(5) 0.2455(5) 0.3143(4) 0.045(3) Uani 1 1 d . . . . .
H2 H -0.436019 0.231093 0.300022 0.068 Uiso 1 1 calc R U . . .
HD H -0.387946 0.272044 0.297405 0.068 Uiso 1 1 calc R U . . .
HE H -0.412253 0.261306 0.339638 0.068 Uiso 1 1 calc R U . . .
O56 O 0.2550(4) 0.2893(3) 0.5128(3) 0.044(2) Uani 1 1 d . . . . .
H56 H 0.284775 0.302635 0.523603 0.067 Uiso 1 1 d R U . . .
C190 C 0.2219(6) 0.3312(6) 0.5239(5) 0.063(4) Uani 1 1 d . . . . .
H19B H 0.228550 0.361828 0.507478 0.094 Uiso 1 1 calc R U . . .
H19C H 0.230467 0.339581 0.552469 0.094 Uiso 1 1 calc R U . . .
H19D H 0.183829 0.321189 0.519483 0.094 Uiso 1 1 calc R U . . .
O57 O -0.0692(3) 0.5633(3) 0.4540(3) 0.041(2) Uani 1 1 d . . . . .
H57A H -0.055965 0.534279 0.461644 0.061 Uiso 1 1 d R U . . .
C191 C -0.1246(5) 0.5747(5) 0.4528(4) 0.037(3) Uani 1 1 d . . . . .
H19E H -0.132323 0.606080 0.436611 0.056 Uiso 1 1 calc R U . . .
H19F H -0.134785 0.580502 0.480244 0.056 Uiso 1 1 calc R U . . .
H19G H -0.145368 0.545405 0.440663 0.056 Uiso 1 1 calc R U . . .
O58 O 0.0091(6) 0.1822(5) 0.3162(4) 0.063(4) Uani 0.75 1 d . . P . .
H58 H 0.021348 0.155901 0.301987 0.094 Uiso 0.75 1 d R U P . .
C192 C 0.0489(9) 0.1958(8) 0.3499(6) 0.065(6) Uani 0.75 1 d . . P . .
H19H H 0.080850 0.211171 0.339331 0.097 Uiso 0.75 1 calc R U P . .
H19I H 0.059295 0.164292 0.365263 0.097 Uiso 0.75 1 calc R U P . .
H19J H 0.032867 0.220886 0.367617 0.097 Uiso 0.75 1 calc R U P . .
O59 O -0.0443(4) -0.0084(4) 0.2748(3) 0.062(3) Uani 1 1 d . . . . .
H59 H -0.017418 0.007204 0.263738 0.094 Uiso 1 1 d R U . . .
C193 C -0.0347(7) -0.0620(6) 0.2870(5) 0.066(5) Uani 1 1 d . . . . .
H19K H -0.034138 -0.084062 0.263006 0.099 Uiso 1 1 calc R U . . .
H19L H -0.063596 -0.073690 0.303182 0.099 Uiso 1 1 calc R U . . .
H19M H 0.000061 -0.064617 0.303057 0.099 Uiso 1 1 calc R U . . .
O60 O 0.0582(6) 0.5285(5) 0.2815(5) 0.068(4) Uani 0.75 1 d . . P E 1
H60A H 0.058765 0.533974 0.256642 0.102 Uiso 0.75 1 d R U P E 1
C194 C 0.0596(9) 0.4742(7) 0.2887(7) 0.069 Uani 0.75 1 d . . P E 1
H19N H 0.039908 0.456094 0.266168 0.103 Uiso 0.75 1 calc R U P E 1
H19O H 0.042811 0.466645 0.313671 0.103 Uiso 0.75 1 calc R U P E 1
H19P H 0.097216 0.462324 0.291388 0.103 Uiso 0.75 1 calc R U P E 1
O61 O -0.4249(6) 0.1435(6) 0.3671(5) 0.093(6) Uani 0.75 1 d D U P . .
H61A H -0.407091 0.146716 0.345490 0.139 Uiso 0.75 1 d R U P . .
C195 C -0.4045(9) 0.1106(7) 0.4006(5) 0.064(6) Uani 0.75 1 d D U P . .
H19Q H -0.367992 0.098887 0.396242 0.096 Uiso 0.75 1 calc R U P . .
H19R H -0.428211 0.080376 0.402358 0.096 Uiso 0.75 1 calc R U P . .
H19S H -0.403680 0.130545 0.425759 0.096 Uiso 0.75 1 calc R U P . .
O62 O -0.1331(3) 0.0185(3) 0.2236(2) 0.0315(19) Uani 1 1 d . . . . .
H62A H -0.102615 0.008586 0.232626 0.047 Uiso 1 1 d R U . . .
H62B H -0.150805 0.044866 0.230406 0.047 Uiso 1 1 d R U . . .
O63 O 0.1666(4) 0.5327(3) 0.2930(3) 0.049(2) Uani 1 1 d . . . . .
H63A H 0.140752 0.561860 0.287809 0.074 Uiso 1 1 d R U . . .
H63B H 0.140052 0.513050 0.297299 0.074 Uiso 1 1 d R U . . .
O64 O 0.0051(8) 0.5119(7) 0.2073(6) 0.058(5) Uani 0.5 1 d D U P F 3
H64A H 0.025299 0.523256 0.226788 0.088 Uiso 0.5 1 d R U P F 3
C196 C -0.0230(10) 0.5555(9) 0.1858(8) 0.045(7) Uani 0.5 1 d D U P F 3
H19T H 0.000420 0.570447 0.166501 0.067 Uiso 0.5 1 calc R U P F 3
H19U H -0.031594 0.582235 0.205240 0.067 Uiso 0.5 1 calc R U P F 3
H19V H -0.056365 0.542840 0.171345 0.067 Uiso 0.5 1 calc R U P F 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Dy Dy -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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
O1 Dy1 O2 75.7(2) . . ?
O1 Dy1 O10 76.6(2) . . ?
O1 Dy1 O11 144.7(2) . . ?
O1 Dy1 O12 77.4(2) . . ?
O1 Dy1 O13 77.1(2) . . ?
O1 Dy1 O21 106.0(2) . . ?
O1 Dy1 N7 150.0(2) . . ?
O2 Dy1 N7 84.3(3) . . ?
O10 Dy1 O2 68.6(2) . . ?
O10 Dy1 O11 138.8(2) . . ?
O10 Dy1 O12 140.7(2) . . ?
O10 Dy1 O21 77.3(2) . . ?
O10 Dy1 N7 75.3(2) . . ?
O11 Dy1 O2 112.3(2) . . ?
O11 Dy1 O12 71.7(2) . . ?
O11 Dy1 O21 87.1(2) . . ?
O11 Dy1 N7 64.1(2) . . ?
O12 Dy1 O2 76.8(2) . . ?
O12 Dy1 O21 138.7(2) . . ?
O12 Dy1 N7 119.9(2) . . ?
O13 Dy1 O2 134.8(2) . . ?
O13 Dy1 O10 136.8(2) . . ?
O13 Dy1 O11 73.8(2) . . ?
O13 Dy1 O12 62.4(2) . . ?
O13 Dy1 O21 78.0(2) . . ?
O13 Dy1 N7 131.9(2) . . ?
O21 Dy1 O2 144.5(2) . . ?
O21 Dy1 N7 77.8(3) . . ?
O1 Dy2 O7 76.4(2) . . ?
O1 Dy2 O12 78.5(2) . . ?
O1 Dy2 O13 75.1(2) . . ?
O1 Dy2 O14 143.8(2) . . ?
O1 Dy2 O15 76.9(2) . . ?
O1 Dy2 O20 105.6(3) . . ?
O1 Dy2 N10 149.7(2) . . ?
O7 Dy2 N10 83.9(2) . . ?
O12 Dy2 O7 134.9(2) . . ?
O12 Dy2 O13 61.4(2) . . ?
O12 Dy2 O14 73.6(2) . . ?
O12 Dy2 O15 138.6(2) . . ?
O12 Dy2 O20 75.8(3) . . ?
O12 Dy2 N10 130.8(2) . . ?
O13 Dy2 O7 76.2(2) . . ?
O13 Dy2 N10 122.3(2) . . ?
O14 Dy2 O7 108.0(2) . . ?
O14 Dy2 O13 71.4(2) . . ?
O14 Dy2 O20 89.6(3) . . ?
O14 Dy2 N10 64.5(2) . . ?
O15 Dy2 O7 69.1(2) . . ?
O15 Dy2 O13 139.5(2) . . ?
O15 Dy2 O14 139.0(2) . . ?
O15 Dy2 O20 79.5(3) . . ?
O15 Dy2 N10 74.7(2) . . ?
O20 Dy2 O7 147.3(3) . . ?
O20 Dy2 O13 136.4(3) . . ?
O20 Dy2 N10 79.2(3) . . ?
O1 Dy3 O4 76.0(2) . . ?
O1 Dy3 O5 75.5(2) . . ?
O1 Dy3 O6 142.6(2) . . ?
O1 Dy3 O7 78.6(2) . . ?
O1 Dy3 O15 75.2(2) . . ?
O1 Dy3 O19 108.6(2) . . ?
O1 Dy3 N4 151.4(2) . . ?
O4 Dy3 O5 61.6(2) . . ?
O4 Dy3 O6 75.6(2) . . ?
O4 Dy3 O15 132.0(2) . . ?
O4 Dy3 O19 73.1(2) . . ?
O4 Dy3 N4 131.4(2) . . ?
O5 Dy3 N4 121.3(2) . . ?
O6 Dy3 O5 69.7(2) . . ?
O6 Dy3 O15 107.4(2) . . ?
O6 Dy3 O19 85.8(2) . . ?
O6 Dy3 N4 63.9(2) . . ?
O7 Dy3 O4 138.5(2) . . ?
O7 Dy3 O5 140.1(2) . . ?
O7 Dy3 O6 138.2(2) . . ?
O7 Dy3 O15 69.9(2) . . ?
O7 Dy3 O19 84.8(2) . . ?
O7 Dy3 N4 74.3(2) . . ?
O15 Dy3 O5 74.4(2) . . ?
O15 Dy3 O19 153.4(2) . . ?
O15 Dy3 N4 86.9(2) . . ?
O19 Dy3 O5 132.2(2) . . ?
O19 Dy3 N4 78.1(3) . . ?
O1 Dy4 O2 78.1(2) . . ?
O1 Dy4 O3 142.7(2) . . ?
O1 Dy4 O4 75.0(2) . . ?
O1 Dy4 O5 78.4(2) . . ?
O1 Dy4 O10 76.2(2) . . ?
O1 Dy4 O18 103.2(3) . . ?
O1 Dy4 N1 151.8(2) . . ?
O2 Dy4 O3 138.3(2) . . ?
O2 Dy4 O4 140.0(2) . . ?
O2 Dy4 O10 69.1(2) . . ?
O2 Dy4 O18 81.2(2) . . ?
O2 Dy4 N1 74.6(2) . . ?
O3 Dy4 O4 69.8(2) . . ?
O3 Dy4 O10 106.3(2) . . ?
O3 Dy4 O18 92.3(3) . . ?
O3 Dy4 N1 63.7(2) . . ?
O4 Dy4 N1 123.3(2) . . ?
O5 Dy4 O2 139.1(2) . . ?
O5 Dy4 O3 74.5(2) . . ?
O5 Dy4 O4 61.9(2) . . ?
O5 Dy4 O10 135.1(2) . . ?
O5 Dy4 O18 72.1(2) . . ?
O5 Dy4 N1 128.0(3) . . ?
O10 Dy4 O4 76.1(2) . . ?
O10 Dy4 N1 87.3(2) . . ?
O18 Dy4 O4 133.5(2) . . ?
O18 Dy4 O10 149.9(2) . . ?
O18 Dy4 N1 79.9(3) . . ?
O3 Dy5 O4 70.2(2) . . ?
O3 Dy5 O5 73.3(2) . . ?
O3 Dy5 O6 137.9(2) . . ?
O3 Dy5 N5 152.1(2) . . ?
O3 Dy5 N6 69.8(2) . . ?
O4 Dy5 N5 125.5(2) . . ?
O4 Dy5 N6 133.1(2) . . ?
O5 Dy5 O4 61.6(2) . . ?
O5 Dy5 N5 133.4(2) . . ?
O5 Dy5 N6 125.9(2) . . ?
O6 Dy5 O4 74.3(2) . . ?
O6 Dy5 O5 70.3(2) . . ?
O6 Dy5 N5 69.3(2) . . ?
O6 Dy5 N6 151.3(2) . . ?
O8 Dy5 O3 91.1(2) . . ?
O8 Dy5 O4 74.5(2) . . ?
O8 Dy5 O5 136.1(2) . . ?
O8 Dy5 O6 100.7(2) . . ?
O8 Dy5 N5 74.1(3) . . ?
O8 Dy5 N6 82.9(3) . . ?
O9 Dy5 O3 99.9(2) . . ?
O9 Dy5 O4 137.3(2) . . ?
O9 Dy5 O5 75.6(2) . . ?
O9 Dy5 O6 90.9(2) . . ?
O9 Dy5 O8 148.2(2) . . ?
O9 Dy5 N5 82.8(3) . . ?
O9 Dy5 N6 73.4(3) . . ?
N6 Dy5 N5 84.7(3) . . ?
O11 Dy6 O12 70.9(2) . . ?
O11 Dy6 N11 150.1(2) . . ?
O11 Dy6 N12 68.6(2) . . ?
O12 Dy6 N11 122.3(2) . . ?
O12 Dy6 N12 135.7(2) . . ?
O13 Dy6 O11 72.3(2) . . ?
O13 Dy6 O12 61.3(2) . . ?
O13 Dy6 N11 137.3(2) . . ?
O13 Dy6 N12 119.7(2) . . ?
O14 Dy6 O11 137.6(2) . . ?
O14 Dy6 O12 72.2(2) . . ?
O14 Dy6 O13 72.1(2) . . ?
O14 Dy6 N11 70.0(2) . . ?
O14 Dy6 N12 151.9(2) . . ?
O16 Dy6 O11 85.4(2) . . ?
O16 Dy6 O12 75.2(2) . . ?
O16 Dy6 O13 135.5(2) . . ?
O16 Dy6 O14 104.7(3) . . ?
O16 Dy6 O17 145.8(2) . . ?
O16 Dy6 N11 74.1(3) . . ?
O16 Dy6 N12 84.4(3) . . ?
O17 Dy6 O11 109.2(2) . . ?
O17 Dy6 O12 138.3(2) . . ?
O17 Dy6 O13 78.7(2) . . ?
O17 Dy6 O14 85.4(2) . . ?
O17 Dy6 N11 79.3(3) . . ?
O17 Dy6 N12 73.4(2) . . ?
N11 Dy6 N12 87.7(3) . . ?
Dy2 O1 Dy1 96.1(2) . . ?
Dy2 O1 Dy3 94.1(2) . . ?
Dy3 O1 Dy1 144.9(3) . . ?
Dy4 O1 Dy1 94.9(2) . . ?
Dy4 O1 Dy2 141.8(3) . . ?
Dy4 O1 Dy3 97.5(2) . . ?
Dy4 O2 Dy1 89.7(2) . . ?
C1 O2 Dy1 129.0(6) . . ?
C1 O2 Dy4 137.7(7) . . ?
Dy4 O3 Dy5 98.6(2) . . ?
C4 O3 Dy4 121.0(6) . . ?
C4 O3 Dy5 139.3(6) . . ?
Dy3 O4 Dy4 92.4(2) . . ?
Dy3 O4 Dy5 98.6(2) . . ?
Dy3 O4 H4 113.5 . . ?
Dy4 O4 H4 124.1 . . ?
Dy5 O4 Dy4 96.6(2) . . ?
Dy5 O4 H4 124.7 . . ?
Dy3 O5 H5 102.5 . . ?
Dy4 O5 Dy3 92.6(2) . . ?
Dy4 O5 Dy5 99.6(2) . . ?
Dy4 O5 H5 128.4 . . ?
Dy5 O5 Dy3 96.3(2) . . ?
Dy5 O5 H5 126.6 . . ?
Dy3 O6 Dy5 98.4(2) . . ?
C5 O6 Dy3 121.2(6) . . ?
C5 O6 Dy5 138.3(6) . . ?
Dy3 O7 Dy2 89.5(2) . . ?
C8 O7 Dy2 126.2(6) . . ?
C8 O7 Dy3 138.1(6) . . ?
C17 O8 Dy5 129.4(7) . . ?
C26 O9 Dy5 131.8(6) . . ?
Dy1 O10 Dy4 89.8(2) . . ?
C43 O10 Dy1 137.0(6) . . ?
C43 O10 Dy4 123.0(6) . . ?
Dy1 O11 Dy6 98.1(2) . . ?
C46 O11 Dy1 121.4(6) . . ?
C46 O11 Dy6 137.0(6) . . ?
Dy1 O12 Dy6 97.2(3) . . ?
Dy1 O12 H12 119.5 . . ?
Dy2 O12 Dy1 92.6(2) . . ?
Dy2 O12 Dy6 98.8(2) . . ?
Dy2 O12 H12 126.4 . . ?
Dy6 O12 H12 116.4 . . ?
Dy1 O13 Dy2 91.6(2) . . ?
Dy1 O13 Dy6 99.3(2) . . ?
Dy1 O13 H13 120.2 . . ?
Dy2 O13 H13 110.4 . . ?
Dy6 O13 Dy2 96.6(2) . . ?
Dy6 O13 H13 130.1 . . ?
Dy2 O14 Dy6 99.0(2) . . ?
C47 O14 Dy2 120.9(6) . . ?
C47 O14 Dy6 137.5(7) . . ?
Dy2 O15 Dy3 89.9(2) . . ?
C50 O15 Dy2 137.9(6) . . ?
C50 O15 Dy3 122.0(6) . . ?
C59 O16 Dy6 132.2(7) . . ?
C68 O17 Dy6 139.5(6) . . ?
Dy4 O18 H18 113.1 . . ?
C85 O18 Dy4 137.1(7) . . ?
C85 O18 H18 109.3 . . ?
Dy3 O19 H19 116.6 . . ?
C86 O19 Dy3 133.8(7) . . ?
C86 O19 H19 109.6 . . ?
Dy2 O20 H20 110.9 . . ?
C87 O20 Dy2 140.8(8) . . ?
C87 O20 H20 106.3 . . ?
Dy1 O21 H21 125.9 . . ?
C88 O21 Dy1 122.5(8) . . ?
C88 O21 H21 107.0 . . ?
N2 N1 Dy4 118.1(5) . . ?
C3 N1 Dy4 129.6(7) . . ?
C3 N1 N2 112.0(8) . . ?
C4 N2 N1 111.0(7) . . ?
C5 N3 N4 112.3(8) . . ?
N3 N4 Dy3 117.4(5) . . ?
C6 N4 Dy3 129.2(7) . . ?
C6 N4 N3 113.4(8) . . ?
C14 N5 Dy5 118.5(6) . . ?
C15 N5 Dy5 125.1(7) . . ?
C15 N5 C14 116.2(9) . . ?
C28 N6 Dy5 124.3(7) . . ?
C28 N6 C29 116.1(9) . . ?
C29 N6 Dy5 118.9(6) . . ?
N8 N7 Dy1 117.4(5) . . ?
C45 N7 Dy1 130.5(7) . . ?
C45 N7 N8 112.1(8) . . ?
C46 N8 N7 112.5(8) . . ?
C47 N9 N10 111.3(8) . . ?
N9 N10 Dy2 117.2(5) . . ?
C48 N10 Dy2 130.5(7) . . ?
C48 N10 N9 112.2(8) . . ?
C56 N11 Dy6 119.2(6) . . ?
C57 N11 Dy6 124.2(6) . . ?
C57 N11 C56 115.8(8) . . ?
C70 N12 Dy6 126.9(7) . . ?
C70 N12 C71 115.6(9) . . ?
C71 N12 Dy6 117.4(6) . . ?
O2 C1 C2 120.9(9) . . ?
O2 C1 C42 120.1(10) . . ?
C42 C1 C2 118.9(9) . . ?
C1 C2 C3 126.6(9) . . ?
C39 C2 C1 117.1(9) . . ?
C39 C2 C3 115.9(9) . . ?
N1 C3 C2 126.2(9) . . ?
N1 C3 H3 116.9 . . ?
C2 C3 H3 116.9 . . ?
O3 C4 N2 123.9(9) . . ?
O3 C4 C30 118.7(8) . . ?
N2 C4 C30 117.3(8) . . ?
O6 C5 N3 122.8(10) . . ?
O6 C5 C13 119.6(8) . . ?
N3 C5 C13 117.6(9) . . ?
N4 C6 H6 116.7 . . ?
N4 C6 C7 126.7(9) . . ?
C7 C6 H6 116.7 . . ?
C8 C7 C6 127.0(9) . . ?
C8 C7 C12 118.9(9) . . ?
C12 C7 C6 114.0(9) . . ?
O7 C8 C7 123.0(9) . . ?
O7 C8 C9 118.5(9) . . ?
C7 C8 C9 118.5(9) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.3(9) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.3(10) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(10) . . ?
C12 C11 H11 120.5 . . ?
C7 C12 H12A 119.1 . . ?
C11 C12 C7 121.9(10) . . ?
C11 C12 H12A 119.1 . . ?
C14 C13 C5 123.0(9) . . ?
C14 C13 C25 119.4(10) . . ?
C25 C13 C5 117.5(9) . . ?
C13 C14 N5 122.7(10) . . ?
C22 C14 N5 117.9(9) . . ?
C22 C14 C13 119.3(10) . . ?
N5 C15 H15 116.1 . . ?
N5 C15 C16 127.8(9) . . ?
C16 C15 H15 116.1 . . ?
C17 C16 C15 122.6(9) . . ?
C21 C16 C15 116.7(9) . . ?
C21 C16 C17 120.6(10) . . ?
O8 C17 C16 123.8(9) . . ?
O8 C17 C18 119.3(10) . . ?
C16 C17 C18 116.8(10) . . ?
C17 C18 H18A 118.6 . . ?
C19 C18 C17 122.7(11) . . ?
C19 C18 H18A 118.6 . . ?
C18 C19 H19A 120.4 . . ?
C18 C19 C20 119.1(11) . . ?
C20 C19 H19A 120.4 . . ?
C19 C20 H20A 120.2 . . ?
C21 C20 C19 119.7(10) . . ?
C21 C20 H20A 120.2 . . ?
C16 C21 H21A 119.5 . . ?
C20 C21 C16 121.0(11) . . ?
C20 C21 H21A 119.5 . . ?
C14 C22 H22 119.1 . . ?
C14 C22 C23 121.9(10) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.7(11) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 119.0(10) . . ?
C25 C24 H24 120.5 . . ?
C13 C25 H25 119.1 . . ?
C24 C25 C13 121.7(10) . . ?
C24 C25 H25 119.1 . . ?
O9 C26 C27 122.6(9) . . ?
O9 C26 C38 120.1(9) . . ?
C38 C26 C27 117.3(9) . . ?
C26 C27 C28 123.4(9) . . ?
C35 C27 C26 118.3(9) . . ?
C35 C27 C28 118.1(10) . . ?
N6 C28 C27 128.0(10) . . ?
N6 C28 H28 116.0 . . ?
C27 C28 H28 116.0 . . ?
N6 C29 C30 121.8(8) . . ?
C34 C29 N6 120.4(9) . . ?
C34 C29 C30 117.7(9) . . ?
C29 C30 C4 122.1(8) . . ?
C31 C30 C4 119.1(9) . . ?
C31 C30 C29 118.8(9) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.9(11) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 119.3 . . ?
C33 C32 C31 121.4(11) . . ?
C33 C32 H32 119.3 . . ?
C32 C33 H33 120.7 . . ?
C32 C33 C34 118.5(10) . . ?
C34 C33 H33 120.7 . . ?
C29 C34 H34 118.7 . . ?
C33 C34 C29 122.7(10) . . ?
C33 C34 H34 118.7 . . ?
C27 C35 H35 118.3 . . ?
C36 C35 C27 123.5(11) . . ?
C36 C35 H35 118.3 . . ?
C35 C36 H36 120.7 . . ?
C35 C36 C37 118.5(10) . . ?
C37 C36 H36 120.7 . . ?
C36 C37 H37 120.3 . . ?
C38 C37 C36 119.4(11) . . ?
C38 C37 H37 120.3 . . ?
C26 C38 H38 118.5 . . ?
C37 C38 C26 123.0(11) . . ?
C37 C38 H38 118.5 . . ?
C2 C39 H39 118.9 . . ?
C40 C39 C2 122.2(11) . . ?
C40 C39 H39 118.9 . . ?
C39 C40 H40 120.5 . . ?
C41 C40 C39 119.0(10) . . ?
C41 C40 H40 120.5 . . ?
C40 C41 H41 119.6 . . ?
C42 C41 C40 120.9(11) . . ?
C42 C41 H41 119.6 . . ?
C1 C42 H42 119.1 . . ?
C41 C42 C1 121.8(11) . . ?
C41 C42 H42 119.1 . . ?
O10 C43 C44 123.3(9) . . ?
O10 C43 C84 119.5(9) . . ?
C84 C43 C44 117.2(9) . . ?
C43 C44 C45 126.1(9) . . ?
C81 C44 C43 117.6(9) . . ?
C81 C44 C45 116.3(9) . . ?
N7 C45 C44 127.4(9) . . ?
N7 C45 H45 116.3 . . ?
C44 C45 H45 116.3 . . ?
O11 C46 C72 119.4(8) . . ?
N8 C46 O11 123.0(9) . . ?
N8 C46 C72 117.4(8) . . ?
O14 C47 N9 124.6(10) . . ?
O14 C47 C55 118.9(9) . . ?
N9 C47 C55 116.4(9) . . ?
N10 C48 H48 116.4 . . ?
N10 C48 C49 127.1(10) . . ?
C49 C48 H48 116.4 . . ?
C50 C49 C48 126.5(10) . . ?
C50 C49 C54 118.3(10) . . ?
C54 C49 C48 115.1(9) . . ?
O15 C50 C49 122.8(9) . . ?
O15 C50 C51 118.4(8) . . ?
C49 C50 C51 118.7(9) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 C50 120.4(9) . . ?
C52 C51 H51 119.8 . . ?
C51 C52 H52 119.8 . . ?
C53 C52 C51 120.5(10) . . ?
C53 C52 H52 119.8 . . ?
C52 C53 H53 120.7 . . ?
C54 C53 C52 118.6(10) . . ?
C54 C53 H53 120.7 . . ?
C49 C54 H54 118.3 . . ?
C53 C54 C49 123.4(10) . . ?
C53 C54 H54 118.3 . . ?
C56 C55 C47 125.0(9) . . ?
C67 C55 C47 118.2(9) . . ?
C67 C55 C56 116.8(9) . . ?
N11 C56 C55 120.3(9) . . ?
C64 C56 N11 120.4(9) . . ?
C64 C56 C55 119.1(9) . . ?
N11 C57 H57 115.9 . . ?
N11 C57 C58 128.2(9) . . ?
C58 C57 H57 115.9 . . ?
C59 C58 C57 122.8(9) . . ?
C63 C58 C57 118.0(9) . . ?
C63 C58 C59 118.7(9) . . ?
O16 C59 C58 121.7(9) . . ?
O16 C59 C60 121.0(10) . . ?
C60 C59 C58 117.3(10) . . ?
C59 C60 H60 118.9 . . ?
C61 C60 C59 122.2(10) . . ?
C61 C60 H60 118.9 . . ?
C60 C61 H61 119.4 . . ?
C60 C61 C62 121.1(10) . . ?
C62 C61 H61 119.4 . . ?
C61 C62 H62 121.0 . . ?
C63 C62 C61 118.0(10) . . ?
C63 C62 H62 121.0 . . ?
C58 C63 H63 118.8 . . ?
C62 C63 C58 122.4(10) . . ?
C62 C63 H63 118.8 . . ?
C56 C64 H64 118.2 . . ?
C56 C64 C65 123.5(10) . . ?
C65 C64 H64 118.2 . . ?
C64 C65 H65 121.1 . . ?
C64 C65 C66 117.9(10) . . ?
C66 C65 H65 121.1 . . ?
C65 C66 H66 119.9 . . ?
C67 C66 C65 120.3(10) . . ?
C67 C66 H66 119.9 . . ?
C55 C67 H67 118.8 . . ?
C66 C67 C55 122.4(10) . . ?
C66 C67 H67 118.8 . . ?
O17 C68 C69 123.0(9) . . ?
O17 C68 C80 119.6(9) . . ?
C69 C68 C80 117.3(9) . . ?
C68 C69 C70 123.7(9) . . ?
C77 C69 C68 119.8(9) . . ?
C77 C69 C70 116.5(9) . . ?
N12 C70 C69 129.0(10) . . ?
N12 C70 H70 115.5 . . ?
C69 C70 H70 115.5 . . ?
C72 C71 N12 122.1(8) . . ?
C76 C71 N12 118.4(9) . . ?
C76 C71 C72 119.5(9) . . ?
C71 C72 C46 123.6(9) . . ?
C73 C72 C46 119.0(9) . . ?
C73 C72 C71 117.4(9) . . ?
C72 C73 H73 118.5 . . ?
C74 C73 C72 123.1(10) . . ?
C74 C73 H73 118.5 . . ?
C73 C74 H74 121.2 . . ?
C75 C74 C73 117.6(10) . . ?
C75 C74 H74 121.2 . . ?
C74 C75 H75 119.4 . . ?
C74 C75 C76 121.3(10) . . ?
C76 C75 H75 119.4 . . ?
C71 C76 C75 121.2(10) . . ?
C71 C76 H76 119.4 . . ?
C75 C76 H76 119.4 . . ?
C69 C77 H77 118.8 . . ?
C69 C77 C78 122.3(9) . . ?
C78 C77 H77 118.8 . . ?
C77 C78 H78 121.0 . . ?
C79 C78 C77 117.9(10) . . ?
C79 C78 H78 121.0 . . ?
C78 C79 H79 118.8 . . ?
C78 C79 C80 122.5(10) . . ?
C80 C79 H79 118.8 . . ?
C68 C80 H80 120.0 . . ?
C79 C80 C68 120.0(10) . . ?
C79 C80 H80 120.0 . . ?
C44 C81 H81 118.2 . . ?
C82 C81 C44 123.5(10) . . ?
C82 C81 H81 118.2 . . ?
C81 C82 H82 120.5 . . ?
C81 C82 C83 118.9(10) . . ?
C83 C82 H82 120.5 . . ?
C82 C83 H83 119.8 . . ?
C84 C83 C82 120.3(10) . . ?
C84 C83 H83 119.8 . . ?
C43 C84 H84 118.8 . . ?
C83 C84 C43 122.4(10) . . ?
C83 C84 H84 118.8 . . ?
O18 C85 H85A 109.5 . . ?
O18 C85 H85B 109.5 . . ?
O18 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
O19 C86 H86A 109.5 . . ?
O19 C86 H86B 109.5 . . ?
O19 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
O20 C87 H87A 108.0 . . ?
O20 C87 H87B 110.1 . . ?
O20 C87 H87C 110.5 . . ?
H87A C87 H87B 109.4 . . ?
H87A C87 H87C 109.4 . . ?
H87B C87 H87C 109.4 . . ?
O21 C88 H88A 109.5 . . ?
O21 C88 H88B 109.5 . . ?
O21 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O22 Dy7 O23 76.4(2) . . ?
O22 Dy7 O24 77.1(2) . . ?
O22 Dy7 O28 142.2(2) . . ?
O22 Dy7 O29 77.6(2) . . ?
O22 Dy7 O36 75.1(2) . . ?
O22 Dy7 O42 107.3(3) . . ?
O22 Dy7 N17 151.0(3) . . ?
O23 Dy7 O36 76.3(2) . . ?
O23 Dy7 N17 120.9(2) . . ?
O24 Dy7 O23 61.5(2) . . ?
O24 Dy7 O28 73.6(2) . . ?
O24 Dy7 O29 137.7(3) . . ?
O24 Dy7 O36 133.6(2) . . ?
O24 Dy7 O42 73.6(2) . . ?
O24 Dy7 N17 130.8(2) . . ?
O28 Dy7 O23 69.0(2) . . ?
O28 Dy7 O36 109.6(2) . . ?
O28 Dy7 O42 86.7(3) . . ?
O28 Dy7 N17 64.9(2) . . ?
O29 Dy7 O23 141.1(2) . . ?
O29 Dy7 O28 139.9(2) . . ?
O29 Dy7 O36 69.4(2) . . ?
O29 Dy7 O42 82.3(2) . . ?
O29 Dy7 N17 75.1(3) . . ?
O36 Dy7 N17 86.2(2) . . ?
O42 Dy7 O23 133.1(2) . . ?
O42 Dy7 O36 150.6(2) . . ?
O42 Dy7 N17 78.7(3) . . ?
O22 Dy8 O29 75.1(2) . . ?
O22 Dy8 O33 77.4(2) . . ?
O22 Dy8 O34 77.1(2) . . ?
O22 Dy8 O35 144.6(2) . . ?
O22 Dy8 O36 77.0(2) . . ?
O22 Dy8 O41 100.7(3) . . ?
O22 Dy8 N22 151.2(2) . . ?
O29 Dy8 N22 92.0(2) . . ?
O33 Dy8 O29 74.0(2) . . ?
O33 Dy8 O41 132.8(2) . . ?
O33 Dy8 N22 124.2(2) . . ?
O34 Dy8 O29 131.1(2) . . ?
O34 Dy8 O33 61.1(2) . . ?
O34 Dy8 O35 73.2(2) . . ?
O34 Dy8 O36 139.8(2) . . ?
O34 Dy8 O41 72.4(3) . . ?
O34 Dy8 N22 128.3(2) . . ?
O35 Dy8 O29 111.3(2) . . ?
O35 Dy8 O33 71.6(2) . . ?
O35 Dy8 O41 88.4(3) . . ?
O35 Dy8 N22 63.9(2) . . ?
O36 Dy8 O29 69.3(2) . . ?
O36 Dy8 O33 139.4(2) . . ?
O36 Dy8 O35 138.3(2) . . ?
O36 Dy8 O41 82.8(3) . . ?
O36 Dy8 N22 74.4(2) . . ?
O41 Dy8 O29 152.1(3) . . ?
O41 Dy8 N22 78.7(3) . . ?
O22 Dy9 O26 74.3(2) . . ?
O22 Dy9 O31 78.7(2) . . ?
O22 Dy9 O32 144.2(2) . . ?
O22 Dy9 O33 79.1(2) . . ?
O22 Dy9 O34 76.5(2) . . ?
O22 Dy9 O40 94.4(3) . . ?
O22 Dy9 N19 151.3(2) . . ?
O26 Dy9 N19 92.9(3) . . ?
O31 Dy9 O26 68.0(2) . . ?
O31 Dy9 O32 136.7(2) . . ?
O31 Dy9 O34 138.5(2) . . ?
O31 Dy9 O40 78.6(3) . . ?
O31 Dy9 N19 72.7(2) . . ?
O32 Dy9 O26 109.5(2) . . ?
O32 Dy9 O34 71.0(2) . . ?
O32 Dy9 O40 98.3(3) . . ?
O32 Dy9 N19 64.2(2) . . ?
O33 Dy9 O26 131.6(2) . . ?
O33 Dy9 O31 143.3(2) . . ?
O33 Dy9 O32 72.4(2) . . ?
O33 Dy9 O34 61.4(2) . . ?
O33 Dy9 O40 74.5(2) . . ?
O33 Dy9 N19 126.3(3) . . ?
O34 Dy9 O26 73.5(2) . . ?
O34 Dy9 N19 125.1(2) . . ?
O40 Dy9 O26 146.2(3) . . ?
O40 Dy9 O34 135.8(2) . . ?
O40 Dy9 N19 82.0(3) . . ?
O22 Dy10 O23 78.4(2) . . ?
O22 Dy10 O24 75.0(2) . . ?
O22 Dy10 O25 142.7(2) . . ?
O22 Dy10 O26 76.8(2) . . ?
O22 Dy10 O31 77.4(2) . . ?
O22 Dy10 O39 106.7(3) . . ?
O22 Dy10 N14 149.5(3) . . ?
O23 Dy10 O24 61.7(2) . . ?
O23 Dy10 O25 74.5(2) . . ?
O23 Dy10 O31 133.7(2) . . ?
O23 Dy10 O39 74.3(3) . . ?
O23 Dy10 N14 131.5(3) . . ?
O24 Dy10 N14 121.1(3) . . ?
O25 Dy10 O24 69.8(2) . . ?
O25 Dy10 O31 103.8(2) . . ?
O25 Dy10 O39 90.2(3) . . ?
O25 Dy10 N14 64.5(3) . . ?
O26 Dy10 O23 139.8(2) . . ?
O26 Dy10 O24 137.9(2) . . ?
O26 Dy10 O25 139.3(2) . . ?
O26 Dy10 O31 69.5(2) . . ?
O26 Dy10 O39 83.2(3) . . ?
O26 Dy10 N14 74.8(3) . . ?
O31 Dy10 O24 74.2(2) . . ?
O31 Dy10 N14 82.5(3) . . ?
O39 Dy10 O24 134.9(3) . . ?
O39 Dy10 O31 150.9(3) . . ?
O39 Dy10 N14 80.7(3) . . ?
O23 Dy11 N15 125.9(2) . . ?
O23 Dy11 N18 134.0(2) . . ?
O24 Dy11 O23 61.3(2) . . ?
O24 Dy11 O25 71.0(2) . . ?
O24 Dy11 O28 73.3(2) . . ?
O24 Dy11 N15 133.7(2) . . ?
O24 Dy11 N18 124.8(2) . . ?
O25 Dy11 O23 73.0(2) . . ?
O25 Dy11 N15 69.6(2) . . ?
O25 Dy11 N18 151.8(2) . . ?
O27 Dy11 O23 77.8(2) . . ?
O27 Dy11 O24 139.1(2) . . ?
O27 Dy11 O25 101.2(3) . . ?
O27 Dy11 O28 90.6(3) . . ?
O27 Dy11 O30 145.2(2) . . ?
O27 Dy11 N15 72.8(3) . . ?
O27 Dy11 N18 81.2(3) . . ?
O28 Dy11 O23 69.5(2) . . ?
O28 Dy11 O25 137.2(2) . . ?
O28 Dy11 N15 152.0(2) . . ?
O28 Dy11 N18 70.3(2) . . ?
O30 Dy11 O23 136.9(2) . . ?
O30 Dy11 O24 75.7(2) . . ?
O30 Dy11 O25 90.7(2) . . ?
O30 Dy11 O28 102.7(2) . . ?
O30 Dy11 N15 81.2(3) . . ?
O30 Dy11 N18 73.6(3) . . ?
N18 Dy11 N15 84.7(3) . . ?
O32 Dy12 N23 151.4(3) . . ?
O32 Dy12 N24 69.2(3) . . ?
O33 Dy12 O32 71.1(2) . . ?
O33 Dy12 O34 60.9(2) . . ?
O33 Dy12 N23 137.3(2) . . ?
O33 Dy12 N24 117.5(3) . . ?
O34 Dy12 O32 70.4(2) . . ?
O34 Dy12 N23 121.6(3) . . ?
O34 Dy12 N24 136.8(2) . . ?
O35 Dy12 O32 136.3(2) . . ?
O35 Dy12 O33 71.8(2) . . ?
O35 Dy12 O34 72.0(2) . . ?
O35 Dy12 N23 70.0(3) . . ?
O35 Dy12 N24 151.2(3) . . ?
O37 Dy12 O32 86.1(3) . . ?
O37 Dy12 O33 136.2(2) . . ?
O37 Dy12 O34 76.5(2) . . ?
O37 Dy12 O35 105.8(3) . . ?
O37 Dy12 N23 73.4(3) . . ?
O37 Dy12 N24 86.1(3) . . ?
O38 Dy12 O32 111.3(3) . . ?
O38 Dy12 O33 79.6(3) . . ?
O38 Dy12 O34 138.1(3) . . ?
O38 Dy12 O35 83.4(3) . . ?
O38 Dy12 O37 144.3(3) . . ?
O38 Dy12 N23 77.9(3) . . ?
O38 Dy12 N24 72.5(3) . . ?
N23 Dy12 N24 89.3(3) . . ?
Dy7 O22 Dy8 95.7(2) . . ?
Dy7 O22 Dy10 97.5(2) . . ?
Dy9 O22 Dy7 139.4(3) . . ?
Dy9 O22 Dy8 96.6(2) . . ?
Dy9 O22 Dy10 95.6(2) . . ?
Dy10 O22 Dy8 143.0(3) . . ?
Dy7 O23 H23A 127.8 . . ?
Dy10 O23 Dy7 91.4(2) . . ?
Dy10 O23 Dy11 98.2(2) . . ?
Dy10 O23 H23A 113.1 . . ?
Dy11 O23 Dy7 95.8(2) . . ?
Dy11 O23 H23A 123.1 . . ?
Dy7 O24 Dy10 92.3(2) . . ?
Dy7 O24 Dy11 101.1(3) . . ?
Dy7 O24 H24A 108.7 . . ?
Dy10 O24 H24A 122.2 . . ?
Dy11 O24 Dy10 98.0(3) . . ?
Dy11 O24 H24A 127.5 . . ?
Dy11 O25 Dy10 98.8(2) . . ?
C89 O25 Dy10 120.3(6) . . ?
C89 O25 Dy11 138.5(6) . . ?
Dy10 O26 Dy9 88.8(2) . . ?
C92 O26 Dy9 112.5(7) . . ?
C92 O26 Dy10 138.1(7) . . ?
C101 O27 Dy11 134.0(7) . . ?
Dy11 O28 Dy7 99.5(2) . . ?
C110 O28 Dy7 120.2(6) . . ?
C110 O28 Dy11 139.4(6) . . ?
Dy7 O29 Dy8 90.2(2) . . ?
C113 O29 Dy7 138.5(7) . . ?
C113 O29 Dy8 119.0(6) . . ?
C122 O30 Dy11 131.3(6) . . ?
Dy9 O31 Dy10 89.5(2) . . ?
C131 O31 Dy9 139.9(6) . . ?
C131 O31 Dy10 126.9(6) . . ?
Dy9 O32 Dy12 99.0(2) . . ?
C134 O32 Dy9 121.9(6) . . ?
C134 O32 Dy12 138.5(6) . . ?
Dy8 O33 H33A 118.0 . . ?
Dy9 O33 Dy8 90.9(2) . . ?
Dy9 O33 Dy12 100.1(2) . . ?
Dy9 O33 H33A 122.8 . . ?
Dy12 O33 Dy8 97.2(2) . . ?
Dy12 O33 H33A 121.3 . . ?
Dy8 O34 Dy9 91.8(2) . . ?
Dy8 O34 Dy12 99.2(2) . . ?
Dy8 O34 H34A 127.6 . . ?
Dy9 O34 H34A 108.6 . . ?
Dy12 O34 Dy9 99.0(3) . . ?
Dy12 O34 H34A 123.1 . . ?
Dy8 O35 Dy12 98.9(2) . . ?
C135 O35 Dy8 121.4(6) . . ?
C135 O35 Dy12 137.6(7) . . ?
Dy8 O36 Dy7 89.2(2) . . ?
C138 O36 Dy7 128.1(6) . . ?
C138 O36 Dy8 138.4(6) . . ?
C147 O37 Dy12 133.7(7) . . ?
C156 O38 Dy12 142.5(7) . . ?
Dy10 O39 H39A 117.6 . . ?
C173 O39 Dy10 132.4(8) . . ?
C173 O39 H39A 109.8 . . ?
Dy9 O40 H40A 116.3 . . ?
C174 O40 Dy9 133.3(7) . . ?
C174 O40 H40A 108.2 . . ?
Dy8 O41 H41A 114.8 . . ?
C175 O41 Dy8 135.9(8) . . ?
C175 O41 H41A 102.0 . . ?
Dy7 O42 H42A 118.4 . . ?
C176 O42 Dy7 132.0(7) . . ?
C176 O42 H42A 108.7 . . ?
C89 N13 N14 113.6(8) . . ?
N13 N14 Dy10 116.8(6) . . ?
C90 N14 Dy10 130.0(8) . . ?
C90 N14 N13 112.2(8) . . ?
C98 N15 Dy11 118.3(6) . . ?
C99 N15 Dy11 126.9(7) . . ?
C99 N15 C98 114.4(8) . . ?
C110 N16 N17 111.8(8) . . ?
N16 N17 Dy7 118.1(6) . . ?
C111 N17 Dy7 129.7(7) . . ?
C111 N17 N16 112.1(8) . . ?
C119 N18 Dy11 119.4(6) . . ?
C120 N18 Dy11 126.3(7) . . ?
C120 N18 C119 114.0(8) . . ?
N20 N19 Dy9 117.0(6) . . ?
C133 N19 Dy9 131.9(7) . . ?
C133 N19 N20 111.1(8) . . ?
C134 N20 N19 113.2(8) . . ?
C135 N21 N22 111.2(8) . . ?
N21 N22 Dy8 117.6(6) . . ?
C136 N22 Dy8 129.3(7) . . ?
C136 N22 N21 113.0(8) . . ?
C144 N23 Dy12 117.6(6) . . ?
C145 N23 Dy12 126.1(7) . . ?
C145 N23 C144 115.9(9) . . ?
C158 N24 Dy12 127.8(8) . . ?
C158 N24 C159 115.5(10) . . ?
C159 N24 Dy12 116.7(7) . . ?
O25 C89 C97 120.2(8) . . ?
N13 C89 O25 123.0(9) . . ?
N13 C89 C97 116.5(9) . . ?
N14 C90 H90 116.3 . . ?
N14 C90 C91 127.4(10) . . ?
C91 C90 H90 116.3 . . ?
C92 C91 C90 128.0(10) . . ?
C92 C91 C96 117.0(10) . . ?
C96 C91 C90 114.8(10) . . ?
O26 C92 C91 120.9(10) . . ?
O26 C92 C93 120.1(10) . . ?
C93 C92 C91 119.0(10) . . ?
C92 C93 H93 119.1 . . ?
C94 C93 C92 121.9(10) . . ?
C94 C93 H93 119.1 . . ?
C93 C94 H94 119.0 . . ?
C93 C94 C95 121.9(11) . . ?
C95 C94 H94 119.0 . . ?
C94 C95 H95 121.2 . . ?
C94 C95 C96 117.6(11) . . ?
C96 C95 H95 121.2 . . ?
C91 C96 H96 118.7 . . ?
C95 C96 C91 122.6(11) . . ?
C95 C96 H96 118.7 . . ?
C98 C97 C89 122.7(9) . . ?
C109 C97 C89 118.1(9) . . ?
C109 C97 C98 118.9(9) . . ?
C97 C98 N15 121.4(9) . . ?
C106 C98 N15 119.1(9) . . ?
C106 C98 C97 119.6(10) . . ?
N15 C99 H99 116.7 . . ?
N15 C99 C100 126.7(9) . . ?
C100 C99 H99 116.7 . . ?
C101 C100 C99 123.7(9) . . ?
C101 C100 C105 119.7(9) . . ?
C105 C100 C99 116.4(9) . . ?
O27 C101 C100 122.8(9) . . ?
O27 C101 C102 119.4(9) . . ?
C102 C101 C100 117.8(9) . . ?
C101 C102 H102 119.6 . . ?
C103 C102 C101 120.7(11) . . ?
C103 C102 H102 119.6 . . ?
C102 C103 H103 118.3 . . ?
C102 C103 C104 123.4(11) . . ?
C104 C103 H103 118.3 . . ?
C103 C104 H104 121.4 . . ?
C105 C104 C103 117.2(11) . . ?
C105 C104 H104 121.4 . . ?
C100 C105 H105 119.4 . . ?
C104 C105 C100 121.2(10) . . ?
C104 C105 H105 119.4 . . ?
C98 C106 H106 119.6 . . ?
C98 C106 C107 120.9(10) . . ?
C107 C106 H106 119.6 . . ?
C106 C107 H107 120.8 . . ?
C108 C107 C106 118.5(10) . . ?
C108 C107 H107 120.8 . . ?
C107 C108 H108 119.4 . . ?
C107 C108 C109 121.3(11) . . ?
C109 C108 H108 119.4 . . ?
C97 C109 H109 119.6 . . ?
C108 C109 C97 120.8(10) . . ?
C108 C109 H109 119.6 . . ?
O28 C110 N16 123.9(9) . . ?
O28 C110 C118 119.3(9) . . ?
N16 C110 C118 116.7(8) . . ?
N17 C111 H111 115.9 . . ?
N17 C111 C112 128.2(9) . . ?
C112 C111 H111 115.9 . . ?
C113 C112 C111 125.9(9) . . ?
C113 C112 C117 117.3(9) . . ?
C117 C112 C111 116.7(10) . . ?
O29 C113 C112 122.2(9) . . ?
O29 C113 C114 120.1(10) . . ?
C114 C113 C112 117.8(9) . . ?
C113 C114 H114 118.4 . . ?
C115 C114 C113 123.2(10) . . ?
C115 C114 H114 118.4 . . ?
C114 C115 H115 120.7 . . ?
C114 C115 C116 118.6(10) . . ?
C116 C115 H115 120.7 . . ?
C115 C116 H116 120.1 . . ?
C117 C116 C115 119.7(10) . . ?
C117 C116 H116 120.1 . . ?
C112 C117 H117 118.3 . . ?
C116 C117 C112 123.4(11) . . ?
C116 C117 H117 118.3 . . ?
C119 C118 C110 122.9(9) . . ?
C130 C118 C110 118.3(9) . . ?
C130 C118 C119 118.8(9) . . ?
C118 C119 N18 122.2(9) . . ?
C127 C119 N18 120.2(9) . . ?
C127 C119 C118 117.6(9) . . ?
N18 C120 H120 116.9 . . ?
N18 C120 C121 126.2(9) . . ?
C121 C120 H120 116.9 . . ?
C122 C121 C120 123.4(9) . . ?
C122 C121 C126 119.3(9) . . ?
C126 C121 C120 117.1(9) . . ?
O30 C122 C121 122.1(9) . . ?
O30 C122 C123 120.3(10) . . ?
C123 C122 C121 117.5(10) . . ?
C122 C123 H123 119.0 . . ?
C124 C123 C122 122.0(10) . . ?
C124 C123 H123 119.0 . . ?
C123 C124 H124 119.9 . . ?
C125 C124 C123 120.2(10) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.0 . . ?
C126 C125 C124 120.0(10) . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 119.6 . . ?
C125 C126 C121 120.9(10) . . ?
C125 C126 H126 119.6 . . ?
C119 C127 H127 118.3 . . ?
C128 C127 C119 123.4(10) . . ?
C128 C127 H127 118.3 . . ?
C127 C128 H128 120.9 . . ?
C127 C128 C129 118.3(10) . . ?
C129 C128 H128 120.9 . . ?
C128 C129 H129 120.2 . . ?
C130 C129 C128 119.5(11) . . ?
C130 C129 H129 120.2 . . ?
C118 C130 H130 118.8 . . ?
C129 C130 C118 122.4(11) . . ?
C129 C130 H130 118.8 . . ?
O31 C131 C132 122.9(9) . . ?
O31 C131 C172 120.6(9) . . ?
C132 C131 C172 116.5(9) . . ?
C131 C132 C133 123.9(9) . . ?
C169 C132 C131 121.0(10) . . ?
C169 C132 C133 115.1(10) . . ?
N19 C133 C132 127.8(9) . . ?
N19 C133 H133 116.1 . . ?
C132 C133 H133 116.1 . . ?
O32 C134 C160 118.0(9) . . ?
N20 C134 O32 122.8(9) . . ?
N20 C134 C160 119.1(9) . . ?
O35 C135 N21 123.9(10) . . ?
O35 C135 C143 120.9(9) . . ?
N21 C135 C143 115.1(9) . . ?
N22 C136 H136 116.4 . . ?
N22 C136 C137 127.2(10) . . ?
C137 C136 H136 116.4 . . ?
C138 C137 C136 125.5(10) . . ?
C142 C137 C136 115.6(10) . . ?
C142 C137 C138 118.8(10) . . ?
O36 C138 C137 122.9(9) . . ?
O36 C138 C139 119.4(9) . . ?
C139 C138 C137 117.7(9) . . ?
C138 C139 H139 119.6 . . ?
C140 C139 C138 120.7(10) . . ?
C140 C139 H139 119.6 . . ?
C139 C140 H140 118.7 . . ?
C139 C140 C141 122.6(11) . . ?
C141 C140 H140 118.7 . . ?
C140 C141 H141 121.8 . . ?
C142 C141 C140 116.4(11) . . ?
C142 C141 H141 121.8 . . ?
C137 C142 H142 118.1 . . ?
C141 C142 C137 123.7(11) . . ?
C141 C142 H142 118.1 . . ?
C144 C143 C135 122.1(9) . . ?
C155 C143 C135 119.8(9) . . ?
C155 C143 C144 118.0(10) . . ?
N23 C144 C143 122.5(9) . . ?
C152 C144 N23 118.8(9) . . ?
C152 C144 C143 118.7(9) . . ?
N23 C145 H145 116.7 . . ?
N23 C145 C146 126.5(10) . . ?
C146 C145 H145 116.7 . . ?
C147 C146 C145 125.4(10) . . ?
C147 C146 C151 119.5(10) . . ?
C151 C146 C145 115.1(10) . . ?
O37 C147 C146 121.6(10) . . ?
O37 C147 C148 120.2(10) . . ?
C146 C147 C148 118.1(11) . . ?
C147 C148 H148 119.0 . . ?
C149 C148 C147 122.0(11) . . ?
C149 C148 H148 119.0 . . ?
C148 C149 H149 120.3 . . ?
C148 C149 C150 119.4(11) . . ?
C150 C149 H149 120.3 . . ?
C149 C150 H150 120.1 . . ?
C151 C150 C149 119.9(11) . . ?
C151 C150 H150 120.1 . . ?
C146 C151 H151 119.5 . . ?
C150 C151 C146 121.0(11) . . ?
C150 C151 H151 119.5 . . ?
C144 C152 H152 119.5 . . ?
C153 C152 C144 121.0(10) . . ?
C153 C152 H152 119.5 . . ?
C152 C153 H153 119.7 . . ?
C152 C153 C154 120.7(11) . . ?
C154 C153 H153 119.7 . . ?
C153 C154 H154 120.5 . . ?
C155 C154 C153 119.1(11) . . ?
C155 C154 H154 120.5 . . ?
C143 C155 H155 118.8 . . ?
C154 C155 C143 122.5(11) . . ?
C154 C155 H155 118.8 . . ?
O38 C156 C157 122.2(10) . . ?
O38 C156 C168 119.7(11) . . ?
C168 C156 C157 118.1(10) . . ?
C158 C157 C156 122.6(10) . . ?
C165 C157 C156 118.1(10) . . ?
C165 C157 C158 119.3(10) . . ?
N24 C158 C157 129.5(11) . . ?
N24 C158 H158 115.2 . . ?
C157 C158 H158 115.2 . . ?
C160 C159 N24 121.7(10) . . ?
C160 C159 C164 120.2(10) . . ?
C164 C159 N24 118.2(10) . . ?
C159 C160 C134 124.7(10) . . ?
C159 C160 C161 119.0(10) . . ?
C161 C160 C134 116.2(10) . . ?
C160 C161 H161 119.5 . . ?
C162 C161 C160 120.9(11) . . ?
C162 C161 H161 119.5 . . ?
C161 C162 H162 119.7 . . ?
C161 C162 C163 120.6(11) . . ?
C163 C162 H162 119.7 . . ?
C162 C163 H163 120.5 . . ?
C162 C163 C164 119.0(11) . . ?
C164 C163 H163 120.5 . . ?
C159 C164 C163 120.3(11) . . ?
C159 C164 H164 119.9 . . ?
C163 C164 H164 119.9 . . ?
C157 C165 H165 118.5 . . ?
C166 C165 C157 123.0(11) . . ?
C166 C165 H165 118.5 . . ?
C165 C166 H166 121.1 . . ?
C165 C166 C167 117.8(12) . . ?
C167 C166 H166 121.1 . . ?
C166 C167 H167 119.3 . . ?
C168 C167 C166 121.4(12) . . ?
C168 C167 H167 119.3 . . ?
C156 C168 H168 119.2 . . ?
C167 C168 C156 121.5(13) . . ?
C167 C168 H168 119.2 . . ?
C132 C169 H169 119.5 . . ?
C170 C169 C132 120.9(11) . . ?
C170 C169 H169 119.5 . . ?
C169 C170 H170 120.5 . . ?
C171 C170 C169 118.9(11) . . ?
C171 C170 H170 120.5 . . ?
C170 C171 H171 119.6 . . ?
C172 C171 C170 120.8(10) . . ?
C172 C171 H171 119.6 . . ?
C131 C172 H172 119.1 . . ?
C171 C172 C131 121.8(10) . . ?
C171 C172 H172 119.1 . . ?
O39 C173 H17A 109.5 . . ?
O39 C173 H17B 109.5 . . ?
O39 C173 H17C 109.5 . . ?
H17A C173 H17B 109.5 . . ?
H17A C173 H17C 109.5 . . ?
H17B C173 H17C 109.5 . . ?
O40 C174 H17D 109.5 . . ?
O40 C174 H17E 109.5 . . ?
O40 C174 H17F 109.5 . . ?
H17D C174 H17E 109.5 . . ?
H17D C174 H17F 109.5 . . ?
H17E C174 H17F 109.5 . . ?
O41 C175 H17G 109.5 . . ?
O41 C175 H17H 109.5 . . ?
O41 C175 H17I 109.5 . . ?
H17G C175 H17H 109.5 . . ?
H17G C175 H17I 109.5 . . ?
H17H C175 H17I 109.5 . . ?
O42 C176 H17J 109.5 . . ?
O42 C176 H17K 109.5 . . ?
O42 C176 H17L 109.5 . . ?
H17J C176 H17K 109.5 . . ?
H17J C176 H17L 109.5 . . ?
H17K C176 H17L 109.5 . . ?
C177 O43 H43 104.9 . . ?
O43 C177 H17M 109.5 . . ?
O43 C177 H17N 109.5 . . ?
O43 C177 H17O 109.5 . . ?
H17M C177 H17N 109.5 . . ?
H17M C177 H17O 109.5 . . ?
H17N C177 H17O 109.5 . . ?
C178 O44 H44 109.4 . . ?
O44 C178 H17P 109.5 . . ?
O44 C178 H17Q 109.5 . . ?
O44 C178 H17R 109.5 . . ?
H17P C178 H17Q 109.5 . . ?
H17P C178 H17R 109.5 . . ?
H17Q C178 H17R 109.5 . . ?
C179 O45 H45A 100.8 . . ?
O45 C179 H17S 109.2 . . ?
O45 C179 H17T 109.1 . . ?
O45 C179 H17U 110.2 . . ?
H17S C179 H17T 109.4 . . ?
H17S C179 H17U 109.5 . . ?
H17T C179 H17U 109.5 . . ?
C180 O46 H46 122.0 . . ?
O46 C180 H18H 109.5 . . ?
O46 C180 H18I 109.5 . . ?
O46 C180 H18J 109.5 . . ?
H18H C180 H18I 109.5 . . ?
H18H C180 H18J 109.5 . . ?
H18I C180 H18J 109.5 . . ?
C181 O47 H47 118.0 . . ?
C181 O47A H47A 100.0 . . ?
O47 C181 H18B 109.5 . . ?
O47 C181 H18C 109.5 . . ?
O47 C181 H18D 109.5 . . ?
O47A C181 H18E 109.5 . . ?
O47A C181 H18F 109.5 . . ?
O47A C181 H18G 109.5 . . ?
H18B C181 H18C 109.5 . . ?
H18B C181 H18D 109.5 . . ?
H18C C181 H18D 109.5 . . ?
H18E C181 H18F 109.5 . . ?
H18E C181 H18G 109.5 . . ?
H18F C181 H18G 109.5 . . ?
C182 O48 H48A 109.5 . . ?
O48 C182 H18K 109.5 . . ?
O48 C182 H18L 109.5 . . ?
O48 C182 H18M 109.5 . . ?
H18K C182 H18L 109.5 . . ?
H18K C182 H18M 109.5 . . ?
H18L C182 H18M 109.5 . . ?
C183 O49 H49 102.6 . . ?
O49 C183 H18N 109.5 . . ?
O49 C183 H18O 109.5 . . ?
O49 C183 H18P 109.5 . . ?
H18N C183 H18O 109.5 . . ?
H18N C183 H18P 109.5 . . ?
H18O C183 H18P 109.5 . . ?
C184 O50 H50 137.3 . . ?
O50 C184 H18Q 109.2 . . ?
O50 C184 H18R 109.8 . . ?
O50 C184 H18S 109.3 . . ?
H18Q C184 H18R 109.5 . . ?
H18Q C184 H18S 109.5 . . ?
H18R C184 H18S 109.4 . . ?
C185 O51 H51A 108.7 . . ?
O51 C185 H18T 109.5 . . ?
O51 C185 H18U 109.5 . . ?
O51 C185 H18V 109.5 . . ?
H18T C185 H18U 109.5 . . ?
H18T C185 H18V 109.5 . . ?
H18U C185 H18V 109.5 . . ?
C186 O52 H52A 109.5 . . ?
O52 C186 H18W 109.5 . . ?
O52 C186 H18X 109.5 . . ?
O52 C186 H18Y 109.5 . . ?
H18W C186 H18X 109.5 . . ?
H18W C186 H18Y 109.5 . . ?
H18X C186 H18Y 109.5 . . ?
C187 O53 H53A 109.5 . . ?
O53 C187 H18Z 109.5 . . ?
O53 C187 H 109.5 . . ?
O53 C187 HA 109.5 . . ?
H18Z C187 H 109.5 . . ?
H18Z C187 HA 109.5 . . ?
H C187 HA 109.5 . . ?
C188 O54 H54A 102.7 . . ?
O54 C188 H1 109.5 . . ?
O54 C188 HB 109.5 . . ?
O54 C188 HC 109.5 . . ?
H1 C188 HB 109.5 . . ?
H1 C188 HC 109.5 . . ?
HB C188 HC 109.5 . . ?
C189 O55 H55 112.0 . . ?
O55 C189 H2 109.5 . . ?
O55 C189 HD 109.5 . . ?
O55 C189 HE 109.5 . . ?
H2 C189 HD 109.5 . . ?
H2 C189 HE 109.5 . . ?
HD C189 HE 109.5 . . ?
C190 O56 H56 94.8 . . ?
O56 C190 H19B 109.5 . . ?
O56 C190 H19C 109.5 . . ?
O56 C190 H19D 109.5 . . ?
H19B C190 H19C 109.5 . . ?
H19B C190 H19D 109.5 . . ?
H19C C190 H19D 109.5 . . ?
C191 O57 H57A 123.3 . . ?
O57 C191 H19E 109.5 . . ?
O57 C191 H19F 109.5 . . ?
O57 C191 H19G 109.5 . . ?
H19E C191 H19F 109.5 . . ?
H19E C191 H19G 109.5 . . ?
H19F C191 H19G 109.5 . . ?
C192 O58 H58 110.2 . . ?
O58 C192 H19H 109.5 . . ?
O58 C192 H19I 109.5 . . ?
O58 C192 H19J 109.5 . . ?
H19H C192 H19I 109.5 . . ?
H19H C192 H19J 109.5 . . ?
H19I C192 H19J 109.5 . . ?
C193 O59 H59 115.8 . . ?
O59 C193 H19K 109.5 . . ?
O59 C193 H19L 109.5 . . ?
O59 C193 H19M 109.5 . . ?
H19K C193 H19L 109.5 . . ?
H19K C193 H19M 109.5 . . ?
H19L C193 H19M 109.5 . . ?
C194 O60 H60A 109.4 . . ?
O60 C194 H19N 109.5 . . ?
O60 C194 H19O 109.5 . . ?
O60 C194 H19P 109.5 . . ?
H19N C194 H19O 109.5 . . ?
H19N C194 H19P 109.5 . . ?
H19O C194 H19P 109.5 . . ?
C195 O61 H61A 120.9 . . ?
O61 C195 H19Q 109.5 . . ?
O61 C195 H19R 109.5 . . ?
O61 C195 H19S 109.5 . . ?
H19Q C195 H19R 109.5 . . ?
H19Q C195 H19S 109.5 . . ?
H19R C195 H19S 109.5 . . ?
H62A O62 H62B 128.8 . . ?
H63A O63 H63B 88.6 . . ?
C196 O64 H64A 109.8 . . ?
O64 C196 H19T 109.5 . . ?
O64 C196 H19U 109.5 . . ?
O64 C196 H19V 109.5 . . ?
H19T C196 H19U 109.5 . . ?
H19T C196 H19V 109.5 . . ?
H19U C196 H19V 109.5 . . ?
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
Dy1 O1 2.296(6) . ?
Dy1 O2 2.421(7) . ?
Dy1 O10 2.351(6) . ?
Dy1 O11 2.356(6) . ?
Dy1 O12 2.378(7) . ?
Dy1 O13 2.319(6) . ?
Dy1 O21 2.393(7) . ?
Dy1 N7 2.485(8) . ?
Dy2 O1 2.284(6) . ?
Dy2 O7 2.440(6) . ?
Dy2 O12 2.333(6) . ?
Dy2 O13 2.431(6) . ?
Dy2 O14 2.352(7) . ?
Dy2 O15 2.335(7) . ?
Dy2 O20 2.365(8) . ?
Dy2 N10 2.482(8) . ?
Dy3 O1 2.295(6) . ?
Dy3 O4 2.329(6) . ?
Dy3 O5 2.422(7) . ?
Dy3 O6 2.349(6) . ?
Dy3 O7 2.319(6) . ?
Dy3 O15 2.409(7) . ?
Dy3 O19 2.414(7) . ?
Dy3 N4 2.494(8) . ?
Dy4 O1 2.259(6) . ?
Dy4 O2 2.336(7) . ?
Dy4 O3 2.355(6) . ?
Dy4 O4 2.413(6) . ?
Dy4 O5 2.313(6) . ?
Dy4 O10 2.406(7) . ?
Dy4 O18 2.390(7) . ?
Dy4 N1 2.494(8) . ?
Dy5 O3 2.365(6) . ?
Dy5 O4 2.380(6) . ?
Dy5 O5 2.369(7) . ?
Dy5 O6 2.366(6) . ?
Dy5 O8 2.254(7) . ?
Dy5 O9 2.253(7) . ?
Dy5 N5 2.516(8) . ?
Dy5 N6 2.510(8) . ?
Dy6 O11 2.384(6) . ?
Dy6 O12 2.395(7) . ?
Dy6 O13 2.376(6) . ?
Dy6 O14 2.368(7) . ?
Dy6 O16 2.234(7) . ?
Dy6 O17 2.252(7) . ?
Dy6 N11 2.499(8) . ?
Dy6 N12 2.556(8) . ?
O2 C1 1.323(12) . ?
O3 C4 1.302(11) . ?
O4 H4 0.9759 . ?
O5 H5 0.9094 . ?
O6 C5 1.306(12) . ?
O7 C8 1.332(11) . ?
O8 C17 1.328(12) . ?
O9 C26 1.328(12) . ?
O10 C43 1.317(11) . ?
O11 C46 1.311(11) . ?
O12 H12 0.9657 . ?
O13 H13 0.9129 . ?
O14 C47 1.288(12) . ?
O15 C50 1.340(11) . ?
O16 C59 1.320(12) . ?
O17 C68 1.307(12) . ?
O18 H18 0.8744 . ?
O18 C85 1.421(13) . ?
O19 H19 0.8734 . ?
O19 C86 1.426(14) . ?
O20 H20 0.8763 . ?
O20 C87 1.389(8) . ?
O21 H21 0.8786 . ?
O21 C88 1.382(15) . ?
N1 N2 1.425(11) . ?
N1 C3 1.279(12) . ?
N2 C4 1.308(12) . ?
N3 N4 1.418(11) . ?
N3 C5 1.310(12) . ?
N4 C6 1.318(12) . ?
N5 C14 1.437(13) . ?
N5 C15 1.275(13) . ?
N6 C28 1.296(13) . ?
N6 C29 1.415(13) . ?
N7 N8 1.432(11) . ?
N7 C45 1.284(12) . ?
N8 C46 1.297(12) . ?
N9 N10 1.440(11) . ?
N9 C47 1.308(13) . ?
N10 C48 1.302(13) . ?
N11 C56 1.430(12) . ?
N11 C57 1.299(12) . ?
N12 C70 1.297(13) . ?
N12 C71 1.433(12) . ?
C1 C2 1.445(14) . ?
C1 C42 1.396(14) . ?
C2 C3 1.468(14) . ?
C2 C39 1.419(15) . ?
C3 H3 0.9500 . ?
C4 C30 1.509(13) . ?
C5 C13 1.483(15) . ?
C6 H6 0.9500 . ?
C6 C7 1.435(14) . ?
C7 C8 1.383(14) . ?
C7 C12 1.424(14) . ?
C8 C9 1.421(14) . ?
C9 H9 0.9500 . ?
C9 C10 1.377(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.394(15) . ?
C11 H11 0.9500 . ?
C11 C12 1.369(15) . ?
C12 H12A 0.9500 . ?
C13 C14 1.387(14) . ?
C13 C25 1.405(14) . ?
C14 C22 1.387(16) . ?
C15 H15 0.9500 . ?
C15 C16 1.457(14) . ?
C16 C17 1.413(15) . ?
C16 C21 1.398(14) . ?
C17 C18 1.416(15) . ?
C18 H18A 0.9500 . ?
C18 C19 1.386(15) . ?
C19 H19A 0.9500 . ?
C19 C20 1.402(16) . ?
C20 H20A 0.9500 . ?
C20 C21 1.389(16) . ?
C21 H21A 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.409(15) . ?
C23 H23 0.9500 . ?
C23 C24 1.407(16) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(15) . ?
C25 H25 0.9500 . ?
C26 C27 1.421(14) . ?
C26 C38 1.419(15) . ?
C27 C28 1.433(14) . ?
C27 C35 1.412(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.419(14) . ?
C29 C34 1.396(14) . ?
C30 C31 1.403(14) . ?
C31 H31 0.9500 . ?
C31 C32 1.371(15) . ?
C32 H32 0.9500 . ?
C32 C33 1.371(16) . ?
C33 H33 0.9500 . ?
C33 C34 1.381(15) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C35 C36 1.372(16) . ?
C36 H36 0.9500 . ?
C36 C37 1.408(17) . ?
C37 H37 0.9500 . ?
C37 C38 1.381(16) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C39 C40 1.390(16) . ?
C40 H40 0.9500 . ?
C40 C41 1.389(15) . ?
C41 H41 0.9500 . ?
C41 C42 1.369(15) . ?
C42 H42 0.9500 . ?
C43 C44 1.440(14) . ?
C43 C84 1.414(14) . ?
C44 C45 1.452(14) . ?
C44 C81 1.417(14) . ?
C45 H45 0.9500 . ?
C46 C72 1.486(13) . ?
C47 C55 1.467(14) . ?
C48 H48 0.9500 . ?
C48 C49 1.449(14) . ?
C49 C50 1.402(14) . ?
C49 C54 1.406(14) . ?
C50 C51 1.423(14) . ?
C51 H51 0.9500 . ?
C51 C52 1.396(14) . ?
C52 H52 0.9500 . ?
C52 C53 1.392(15) . ?
C53 H53 0.9500 . ?
C53 C54 1.364(15) . ?
C54 H54 0.9500 . ?
C55 C56 1.432(14) . ?
C55 C67 1.419(13) . ?
C56 C64 1.375(14) . ?
C57 H57 0.9500 . ?
C57 C58 1.440(14) . ?
C58 C59 1.431(14) . ?
C58 C63 1.412(14) . ?
C59 C60 1.399(15) . ?
C60 H60 0.9500 . ?
C60 C61 1.367(15) . ?
C61 H61 0.9500 . ?
C61 C62 1.401(15) . ?
C62 H62 0.9500 . ?
C62 C63 1.369(15) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C64 C65 1.387(15) . ?
C65 H65 0.9500 . ?
C65 C66 1.400(15) . ?
C66 H66 0.9500 . ?
C66 C67 1.373(15) . ?
C67 H67 0.9500 . ?
C68 C69 1.409(14) . ?
C68 C80 1.439(13) . ?
C69 C70 1.444(14) . ?
C69 C77 1.397(15) . ?
C70 H70 0.9500 . ?
C71 C72 1.411(14) . ?
C71 C76 1.378(13) . ?
C72 C73 1.406(14) . ?
C73 H73 0.9500 . ?
C73 C74 1.388(14) . ?
C74 H74 0.9500 . ?
C74 C75 1.375(15) . ?
C75 H75 0.9500 . ?
C75 C76 1.385(15) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C77 C78 1.399(15) . ?
C78 H78 0.9500 . ?
C78 C79 1.362(15) . ?
C79 H79 0.9500 . ?
C79 C80 1.393(15) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C81 C82 1.358(15) . ?
C82 H82 0.9500 . ?
C82 C83 1.392(16) . ?
C83 H83 0.9500 . ?
C83 C84 1.376(14) . ?
C84 H84 0.9500 . ?
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 0.9801 . ?
C87 H87B 0.9805 . ?
C87 H87C 0.9797 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
Dy7 O22 2.263(7) . ?
Dy7 O23 2.434(7) . ?
Dy7 O24 2.314(6) . ?
Dy7 O28 2.366(6) . ?
Dy7 O29 2.316(7) . ?
Dy7 O36 2.448(7) . ?
Dy7 O42 2.406(7) . ?
Dy7 N17 2.462(8) . ?
Dy8 O22 2.275(6) . ?
Dy8 O29 2.433(7) . ?
Dy8 O33 2.405(6) . ?
Dy8 O34 2.332(6) . ?
Dy8 O35 2.348(7) . ?
Dy8 O36 2.342(6) . ?
Dy8 O41 2.421(8) . ?
Dy8 N22 2.494(8) . ?
Dy9 O22 2.257(7) . ?
Dy9 O26 2.466(7) . ?
Dy9 O31 2.357(6) . ?
Dy9 O32 2.357(7) . ?
Dy9 O33 2.341(6) . ?
Dy9 O34 2.379(7) . ?
Dy9 O40 2.361(8) . ?
Dy9 N19 2.499(8) . ?
Dy10 O22 2.271(6) . ?
Dy10 O23 2.328(6) . ?
Dy10 O24 2.410(6) . ?
Dy10 O25 2.367(6) . ?
Dy10 O26 2.326(7) . ?
Dy10 O31 2.406(7) . ?
Dy10 O39 2.385(8) . ?
Dy10 N14 2.490(8) . ?
Dy11 O23 2.418(6) . ?
Dy11 O24 2.346(7) . ?
Dy11 O25 2.359(7) . ?
Dy11 O27 2.260(7) . ?
Dy11 O28 2.349(6) . ?
Dy11 O30 2.267(7) . ?
Dy11 N15 2.534(8) . ?
Dy11 N18 2.493(8) . ?
Dy12 O32 2.397(7) . ?
Dy12 O33 2.376(6) . ?
Dy12 O34 2.377(7) . ?
Dy12 O35 2.371(7) . ?
Dy12 O37 2.256(7) . ?
Dy12 O38 2.210(8) . ?
Dy12 N23 2.535(8) . ?
Dy12 N24 2.554(9) . ?
O23 H23A 0.9540 . ?
O24 H24A 0.8164 . ?
O25 C89 1.306(11) . ?
O26 C92 1.348(12) . ?
O27 C101 1.319(12) . ?
O28 C110 1.288(11) . ?
O29 C113 1.328(12) . ?
O30 C122 1.327(12) . ?
O31 C131 1.327(11) . ?
O32 C134 1.310(11) . ?
O33 H33A 0.9398 . ?
O34 H34A 0.8504 . ?
O35 C135 1.283(11) . ?
O36 C138 1.307(12) . ?
O37 C147 1.338(13) . ?
O38 C156 1.324(13) . ?
O39 H39A 0.8741 . ?
O39 C173 1.412(15) . ?
O40 H40A 0.8761 . ?
O40 C174 1.438(13) . ?
O41 H41A 0.9144 . ?
O41 C175 1.419(15) . ?
O42 H42A 0.8741 . ?
O42 C176 1.434(13) . ?
N13 N14 1.418(12) . ?
N13 C89 1.299(13) . ?
N14 C90 1.284(13) . ?
N15 C98 1.448(13) . ?
N15 C99 1.278(13) . ?
N16 N17 1.418(11) . ?
N16 C110 1.335(13) . ?
N17 C111 1.291(12) . ?
N18 C119 1.422(12) . ?
N18 C120 1.295(13) . ?
N19 N20 1.433(11) . ?
N19 C133 1.271(13) . ?
N20 C134 1.296(13) . ?
N21 N22 1.420(11) . ?
N21 C135 1.323(13) . ?
N22 C136 1.304(13) . ?
N23 C144 1.421(13) . ?
N23 C145 1.303(13) . ?
N24 C158 1.290(14) . ?
N24 C159 1.442(13) . ?
C89 C97 1.509(13) . ?
C90 H90 0.9500 . ?
C90 C91 1.428(15) . ?
C91 C92 1.415(15) . ?
C91 C96 1.426(14) . ?
C92 C93 1.393(15) . ?
C93 H93 0.9500 . ?
C93 C94 1.355(15) . ?
C94 H94 0.9500 . ?
C94 C95 1.377(17) . ?
C95 H95 0.9500 . ?
C95 C96 1.390(16) . ?
C96 H96 0.9500 . ?
C97 C98 1.403(14) . ?
C97 C109 1.380(15) . ?
C98 C106 1.373(14) . ?
C99 H99 0.9500 . ?
C99 C100 1.457(14) . ?
C100 C101 1.417(14) . ?
C100 C105 1.429(14) . ?
C101 C102 1.410(15) . ?
C102 H102 0.9500 . ?
C102 C103 1.348(16) . ?
C103 H103 0.9500 . ?
C103 C104 1.407(17) . ?
C104 H104 0.9500 . ?
C104 C105 1.377(16) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C106 C107 1.411(15) . ?
C107 H107 0.9500 . ?
C107 C108 1.358(15) . ?
C108 H108 0.9500 . ?
C108 C109 1.376(15) . ?
C109 H109 0.9500 . ?
C110 C118 1.490(14) . ?
C111 H111 0.9500 . ?
C111 C112 1.432(14) . ?
C112 C113 1.423(15) . ?
C112 C117 1.429(14) . ?
C113 C114 1.410(15) . ?
C114 H114 0.9500 . ?
C114 C115 1.382(15) . ?
C115 H115 0.9500 . ?
C115 C116 1.405(16) . ?
C116 H116 0.9500 . ?
C116 C117 1.349(16) . ?
C117 H117 0.9500 . ?
C118 C119 1.413(14) . ?
C118 C130 1.401(14) . ?
C119 C127 1.388(14) . ?
C120 H120 0.9500 . ?
C120 C121 1.477(14) . ?
C121 C122 1.416(14) . ?
C121 C126 1.425(14) . ?
C122 C123 1.396(14) . ?
C123 H123 0.9500 . ?
C123 C124 1.382(15) . ?
C124 H124 0.9500 . ?
C124 C125 1.382(16) . ?
C125 H125 0.9500 . ?
C125 C126 1.360(15) . ?
C126 H126 0.9500 . ?
C127 H127 0.9500 . ?
C127 C128 1.385(15) . ?
C128 H128 0.9500 . ?
C128 C129 1.402(16) . ?
C129 H129 0.9500 . ?
C129 C130 1.363(15) . ?
C130 H130 0.9500 . ?
C131 C132 1.402(14) . ?
C131 C172 1.427(14) . ?
C132 C133 1.486(14) . ?
C132 C169 1.393(15) . ?
C133 H133 0.9500 . ?
C134 C160 1.471(14) . ?
C135 C143 1.487(14) . ?
C136 H136 0.9500 . ?
C136 C137 1.456(15) . ?
C137 C138 1.425(14) . ?
C137 C142 1.417(15) . ?
C138 C139 1.423(15) . ?
C139 H139 0.9500 . ?
C139 C140 1.370(15) . ?
C140 H140 0.9500 . ?
C140 C141 1.421(16) . ?
C141 H141 0.9500 . ?
C141 C142 1.366(16) . ?
C142 H142 0.9500 . ?
C143 C144 1.438(14) . ?
C143 C155 1.387(14) . ?
C144 C152 1.400(14) . ?
C145 H145 0.9500 . ?
C145 C146 1.462(15) . ?
C146 C147 1.383(16) . ?
C146 C151 1.412(15) . ?
C147 C148 1.415(15) . ?
C148 H148 0.9500 . ?
C148 C149 1.367(16) . ?
C149 H149 0.9500 . ?
C149 C150 1.393(16) . ?
C150 H150 0.9500 . ?
C150 C151 1.369(16) . ?
C151 H151 0.9500 . ?
C152 H152 0.9500 . ?
C152 C153 1.373(15) . ?
C153 H153 0.9500 . ?
C153 C154 1.389(17) . ?
C154 H154 0.9500 . ?
C154 C155 1.379(16) . ?
C155 H155 0.9500 . ?
C156 C157 1.425(16) . ?
C156 C168 1.413(16) . ?
C157 C158 1.424(16) . ?
C157 C165 1.402(16) . ?
C158 H158 0.9500 . ?
C159 C160 1.384(15) . ?
C159 C164 1.384(15) . ?
C160 C161 1.401(15) . ?
C161 H161 0.9500 . ?
C161 C162 1.366(17) . ?
C162 H162 0.9500 . ?
C162 C163 1.381(18) . ?
C163 H163 0.9500 . ?
C163 C164 1.407(16) . ?
C164 H164 0.9500 . ?
C165 H165 0.9500 . ?
C165 C166 1.376(17) . ?
C166 H166 0.9500 . ?
C166 C167 1.402(19) . ?
C167 H167 0.9500 . ?
C167 C168 1.354(18) . ?
C168 H168 0.9500 . ?
C169 H169 0.9500 . ?
C169 C170 1.388(16) . ?
C170 H170 0.9500 . ?
C170 C171 1.385(16) . ?
C171 H171 0.9500 . ?
C171 C172 1.366(15) . ?
C172 H172 0.9500 . ?
C173 H17A 0.9800 . ?
C173 H17B 0.9800 . ?
C173 H17C 0.9800 . ?
C174 H17D 0.9800 . ?
C174 H17E 0.9800 . ?
C174 H17F 0.9800 . ?
C175 H17G 0.9800 . ?
C175 H17H 0.9800 . ?
C175 H17I 0.9800 . ?
C176 H17J 0.9800 . ?
C176 H17K 0.9800 . ?
C176 H17L 0.9800 . ?
O43 H43 1.0306 . ?
O43 C177 1.47(4) . ?
C177 H17M 0.9800 . ?
C177 H17N 0.9800 . ?
C177 H17O 0.9800 . ?
O44 H44 0.8403 . ?
O44 C178 1.38(4) . ?
C178 H17P 0.9800 . ?
C178 H17Q 0.9800 . ?
C178 H17R 0.9800 . ?
O45 H45A 0.8507 . ?
O45 C179 1.417(16) . ?
C179 H17S 0.9804 . ?
C179 H17T 0.9810 . ?
C179 H17U 0.9793 . ?
O46 H46 0.8403 . ?
O46 C180 1.383(17) . ?
C180 H18H 0.9800 . ?
C180 H18I 0.9800 . ?
C180 H18J 0.9800 . ?
O47 H47 0.8406 . ?
O47 C181 1.442(9) . ?
O47A H47A 0.8702 . ?
O47A C181 1.450(10) . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C181 H18G 0.9800 . ?
O48 H48A 0.8395 . ?
O48 C182 1.46(2) . ?
C182 H18K 0.9800 . ?
C182 H18L 0.9800 . ?
C182 H18M 0.9800 . ?
O49 H49 0.8515 . ?
O49 C183 1.376(16) . ?
C183 H18N 0.9800 . ?
C183 H18O 0.9800 . ?
C183 H18P 0.9800 . ?
O50 H50 0.8519 . ?
O50 C184 1.456(18) . ?
C184 H18Q 0.9802 . ?
C184 H18R 0.9803 . ?
C184 H18S 0.9800 . ?
O51 H51A 0.8505 . ?
O51 C185 1.469(9) . ?
C185 H18T 0.9800 . ?
C185 H18U 0.9800 . ?
C185 H18V 0.9800 . ?
O52 H52A 0.8397 . ?
O52 C186 1.433(13) . ?
C186 H18W 0.9800 . ?
C186 H18X 0.9800 . ?
C186 H18Y 0.9800 . ?
O53 H53A 0.8398 . ?
O53 C187 1.414(13) . ?
C187 H18Z 0.9800 . ?
C187 H 0.9800 . ?
C187 HA 0.9800 . ?
O54 H54A 0.8564 . ?
O54 C188 1.425(15) . ?
C188 H1 0.9800 . ?
C188 HB 0.9800 . ?
C188 HC 0.9800 . ?
O55 H55 0.9199 . ?
O55 C189 1.426(14) . ?
C189 H2 0.9800 . ?
C189 HD 0.9800 . ?
C189 HE 0.9800 . ?
O56 H56 0.8659 . ?
O56 C190 1.425(15) . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C190 H19D 0.9800 . ?
O57 H57A 0.8459 . ?
O57 C191 1.405(14) . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C191 H19G 0.9800 . ?
O58 H58 0.8931 . ?
O58 C192 1.47(2) . ?
C192 H19H 0.9800 . ?
C192 H19I 0.9800 . ?
C192 H19J 0.9800 . ?
O59 H59 0.8858 . ?
O59 C193 1.450(16) . ?
C193 H19K 0.9800 . ?
C193 H19L 0.9800 . ?
C193 H19M 0.9800 . ?
O60 H60A 0.8407 . ?
O60 C194 1.41(2) . ?
C194 H19N 0.9800 . ?
C194 H19O 0.9800 . ?
C194 H19P 0.9800 . ?
O61 H61A 0.8809 . ?
O61 C195 1.455(10) . ?
C195 H19Q 0.9800 . ?
C195 H19R 0.9800 . ?
C195 H19S 0.9800 . ?
O62 H62A 0.8313 . ?
O62 H62B 0.8484 . ?
O63 H63A 0.9941 . ?
O63 H63B 0.8522 . ?
O64 H64A 0.8395 . ?
O64 C196 1.474(10) . ?
C196 H19T 0.9800 . ?
C196 H19U 0.9800 . ?
C196 H19V 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C1 C2 141.4(8) . . . . ?
Dy1 O2 C1 C42 -40.4(13) . . . . ?
Dy1 O10 C43 C44 -7.1(16) . . . . ?
Dy1 O10 C43 C84 173.6(7) . . . . ?
Dy1 O11 C46 N8 -12.5(14) . . . . ?
Dy1 O11 C46 C72 163.3(7) . . . . ?
Dy1 N7 N8 C46 7.4(11) . . . . ?
Dy1 N7 C45 C44 4.4(17) . . . . ?
Dy2 O7 C8 C7 134.7(8) . . . . ?
Dy2 O7 C8 C9 -45.1(12) . . . . ?
Dy2 O14 C47 N9 -14.5(14) . . . . ?
Dy2 O14 C47 C55 161.0(7) . . . . ?
Dy2 O15 C50 C49 -9.9(16) . . . . ?
Dy2 O15 C50 C51 173.2(7) . . . . ?
Dy2 N10 C48 C49 -0.1(17) . . . . ?
Dy3 O6 C5 N3 -17.4(13) . . . . ?
Dy3 O6 C5 C13 161.2(7) . . . . ?
Dy3 O7 C8 C7 -8.2(16) . . . . ?
Dy3 O7 C8 C9 172.0(7) . . . . ?
Dy3 O15 C50 C49 123.6(9) . . . . ?
Dy3 O15 C50 C51 -53.3(12) . . . . ?
Dy3 N4 C6 C7 6.6(16) . . . . ?
Dy4 O2 C1 C2 -10.5(16) . . . . ?
Dy4 O2 C1 C42 167.7(8) . . . . ?
Dy4 O3 C4 N2 -17.1(14) . . . . ?
Dy4 O3 C4 C30 158.4(7) . . . . ?
Dy4 O10 C43 C44 126.4(9) . . . . ?
Dy4 O10 C43 C84 -52.9(12) . . . . ?
Dy4 N1 N2 C4 5.8(10) . . . . ?
Dy4 N1 C3 C2 9.1(17) . . . . ?
Dy5 O3 C4 N2 177.8(7) . . . . ?
Dy5 O3 C4 C30 -6.7(15) . . . . ?
Dy5 O6 C5 N3 -177.0(7) . . . . ?
Dy5 O6 C5 C13 1.6(15) . . . . ?
Dy5 O8 C17 C16 -40.9(14) . . . . ?
Dy5 O8 C17 C18 140.4(8) . . . . ?
Dy5 O9 C26 C27 -36.0(14) . . . . ?
Dy5 O9 C26 C38 144.3(8) . . . . ?
Dy5 N5 C14 C13 -51.9(13) . . . . ?
Dy5 N5 C14 C22 126.1(9) . . . . ?
Dy5 N5 C15 C16 4.0(15) . . . . ?
Dy5 N6 C28 C27 13.0(15) . . . . ?
Dy5 N6 C29 C30 -55.4(11) . . . . ?
Dy5 N6 C29 C34 126.3(9) . . . . ?
Dy6 O11 C46 N8 -166.2(7) . . . . ?
Dy6 O11 C46 C72 9.6(15) . . . . ?
Dy6 O14 C47 N9 -171.5(7) . . . . ?
Dy6 O14 C47 C55 3.9(16) . . . . ?
Dy6 O16 C59 C58 -38.0(14) . . . . ?
Dy6 O16 C59 C60 141.9(9) . . . . ?
Dy6 O17 C68 C69 -28.0(16) . . . . ?
Dy6 O17 C68 C80 154.2(8) . . . . ?
Dy6 N11 C56 C55 -49.1(11) . . . . ?
Dy6 N11 C56 C64 125.7(9) . . . . ?
Dy6 N11 C57 C58 4.1(16) . . . . ?
Dy6 N12 C70 C69 -0.8(15) . . . . ?
Dy6 N12 C71 C72 -51.4(11) . . . . ?
Dy6 N12 C71 C76 129.4(8) . . . . ?
O2 C1 C2 C3 -11.2(17) . . . . ?
O2 C1 C2 C39 175.9(10) . . . . ?
O2 C1 C42 C41 -174.3(10) . . . . ?
O3 C4 C30 C29 29.3(14) . . . . ?
O3 C4 C30 C31 -147.9(10) . . . . ?
O6 C5 C13 C14 27.3(16) . . . . ?
O6 C5 C13 C25 -148.6(10) . . . . ?
O7 C8 C9 C10 -177.4(10) . . . . ?
O8 C17 C18 C19 -179.7(10) . . . . ?
O9 C26 C27 C28 -6.0(16) . . . . ?
O9 C26 C27 C35 179.0(9) . . . . ?
O9 C26 C38 C37 -179.2(10) . . . . ?
O10 C43 C44 C45 2.3(17) . . . . ?
O10 C43 C44 C81 -179.2(10) . . . . ?
O10 C43 C84 C83 -179.5(10) . . . . ?
O11 C46 C72 C71 26.1(15) . . . . ?
O11 C46 C72 C73 -154.5(10) . . . . ?
O14 C47 C55 C56 28.8(16) . . . . ?
O14 C47 C55 C67 -149.9(10) . . . . ?
O15 C50 C51 C52 179.1(10) . . . . ?
O16 C59 C60 C61 -178.0(10) . . . . ?
O17 C68 C69 C70 4.6(16) . . . . ?
O17 C68 C69 C77 -173.5(10) . . . . ?
O17 C68 C80 C79 173.8(10) . . . . ?
N1 N2 C4 O3 6.6(14) . . . . ?
N1 N2 C4 C30 -169.0(8) . . . . ?
N2 N1 C3 C2 -177.2(10) . . . . ?
N2 C4 C30 C29 -154.9(10) . . . . ?
N2 C4 C30 C31 28.0(15) . . . . ?
N3 N4 C6 C7 -175.8(10) . . . . ?
N3 C5 C13 C14 -154.0(11) . . . . ?
N3 C5 C13 C25 30.1(14) . . . . ?
N4 N3 C5 O6 6.5(14) . . . . ?
N4 N3 C5 C13 -172.1(8) . . . . ?
N4 C6 C7 C8 5.6(18) . . . . ?
N4 C6 C7 C12 -176.1(10) . . . . ?
N5 C14 C22 C23 -179.0(10) . . . . ?
N5 C15 C16 C17 19.8(17) . . . . ?
N5 C15 C16 C21 -164.5(10) . . . . ?
N6 C29 C30 C4 5.3(15) . . . . ?
N6 C29 C30 C31 -177.5(10) . . . . ?
N6 C29 C34 C33 178.3(11) . . . . ?
N7 N8 C46 O11 2.7(14) . . . . ?
N7 N8 C46 C72 -173.2(8) . . . . ?
N8 N7 C45 C44 -178.8(10) . . . . ?
N8 C46 C72 C71 -157.9(10) . . . . ?
N8 C46 C72 C73 21.5(15) . . . . ?
N9 N10 C48 C49 -177.6(10) . . . . ?
N9 C47 C55 C56 -155.4(10) . . . . ?
N9 C47 C55 C67 25.9(14) . . . . ?
N10 N9 C47 O14 5.6(15) . . . . ?
N10 N9 C47 C55 -170.0(8) . . . . ?
N10 C48 C49 C50 0.3(19) . . . . ?
N10 C48 C49 C54 -175.8(11) . . . . ?
N11 C56 C64 C65 -175.5(10) . . . . ?
N11 C57 C58 C59 21.5(17) . . . . ?
N11 C57 C58 C63 -166.6(10) . . . . ?
N12 C71 C72 C46 0.3(15) . . . . ?
N12 C71 C72 C73 -179.1(9) . . . . ?
N12 C71 C76 C75 178.2(10) . . . . ?
C1 C2 C3 N1 10.8(18) . . . . ?
C1 C2 C39 C40 -0.4(16) . . . . ?
C2 C1 C42 C41 3.9(17) . . . . ?
C2 C39 C40 C41 1.5(18) . . . . ?
C3 N1 N2 C4 -168.7(9) . . . . ?
C3 C2 C39 C40 -174.0(11) . . . . ?
C4 C30 C31 C32 175.5(11) . . . . ?
C5 N3 N4 Dy3 6.3(10) . . . . ?
C5 N3 N4 C6 -171.7(9) . . . . ?
C5 C13 C14 N5 2.3(17) . . . . ?
C5 C13 C14 C22 -175.7(10) . . . . ?
C5 C13 C25 C24 177.2(10) . . . . ?
C6 C7 C8 O7 -5.7(17) . . . . ?
C6 C7 C8 C9 174.1(10) . . . . ?
C6 C7 C12 C11 -175.9(11) . . . . ?
C7 C8 C9 C10 2.8(16) . . . . ?
C8 C7 C12 C11 2.6(17) . . . . ?
C8 C9 C10 C11 0.4(17) . . . . ?
C9 C10 C11 C12 -2.1(18) . . . . ?
C10 C11 C12 C7 0.6(18) . . . . ?
C12 C7 C8 O7 176.0(9) . . . . ?
C12 C7 C8 C9 -4.2(15) . . . . ?
C13 C14 C22 C23 -0.9(18) . . . . ?
C14 N5 C15 C16 178.3(10) . . . . ?
C14 C13 C25 C24 1.1(17) . . . . ?
C14 C22 C23 C24 0.5(18) . . . . ?
C15 N5 C14 C13 133.4(11) . . . . ?
C15 N5 C14 C22 -48.6(14) . . . . ?
C15 C16 C17 O8 -2.8(16) . . . . ?
C15 C16 C17 C18 175.9(10) . . . . ?
C15 C16 C21 C20 -178.2(10) . . . . ?
C16 C17 C18 C19 1.6(16) . . . . ?
C17 C16 C21 C20 -2.5(16) . . . . ?
C17 C18 C19 C20 -1.3(17) . . . . ?
C18 C19 C20 C21 -0.8(17) . . . . ?
C19 C20 C21 C16 2.7(17) . . . . ?
C21 C16 C17 O8 -178.4(10) . . . . ?
C21 C16 C17 C18 0.3(15) . . . . ?
C22 C23 C24 C25 0.7(18) . . . . ?
C23 C24 C25 C13 -1.5(18) . . . . ?
C25 C13 C14 N5 178.1(10) . . . . ?
C25 C13 C14 C22 0.1(17) . . . . ?
C26 C27 C28 N6 14.7(17) . . . . ?
C26 C27 C35 C36 0.6(16) . . . . ?
C27 C26 C38 C37 1.2(16) . . . . ?
C27 C35 C36 C37 0.4(17) . . . . ?
C28 N6 C29 C30 133.9(10) . . . . ?
C28 N6 C29 C34 -44.4(14) . . . . ?
C28 C27 C35 C36 -174.7(11) . . . . ?
C29 N6 C28 C27 -176.9(10) . . . . ?
C29 C30 C31 C32 -1.8(17) . . . . ?
C30 C29 C34 C33 -0.1(16) . . . . ?
C30 C31 C32 C33 2(2) . . . . ?
C31 C32 C33 C34 -1(2) . . . . ?
C32 C33 C34 C29 0.3(19) . . . . ?
C34 C29 C30 C4 -176.4(10) . . . . ?
C34 C29 C30 C31 0.8(15) . . . . ?
C35 C27 C28 N6 -170.3(10) . . . . ?
C35 C36 C37 C38 -0.7(17) . . . . ?
C36 C37 C38 C26 -0.1(18) . . . . ?
C38 C26 C27 C28 173.7(10) . . . . ?
C38 C26 C27 C35 -1.3(15) . . . . ?
C39 C2 C3 N1 -176.2(11) . . . . ?
C39 C40 C41 C42 0.1(18) . . . . ?
C40 C41 C42 C1 -2.8(18) . . . . ?
C42 C1 C2 C3 170.6(11) . . . . ?
C42 C1 C2 C39 -2.3(15) . . . . ?
C43 C44 C45 N7 -1.5(18) . . . . ?
C43 C44 C81 C82 -1.0(17) . . . . ?
C44 C43 C84 C83 1.1(16) . . . . ?
C44 C81 C82 C83 0.6(19) . . . . ?
C45 N7 N8 C46 -169.8(9) . . . . ?
C45 C44 C81 C82 177.6(11) . . . . ?
C46 C72 C73 C74 -178.7(10) . . . . ?
C47 N9 N10 Dy2 5.1(10) . . . . ?
C47 N9 N10 C48 -177.1(9) . . . . ?
C47 C55 C56 N11 -1.9(15) . . . . ?
C47 C55 C56 C64 -176.7(10) . . . . ?
C47 C55 C67 C66 176.8(10) . . . . ?
C48 C49 C50 O15 4.2(17) . . . . ?
C48 C49 C50 C51 -178.9(10) . . . . ?
C48 C49 C54 C53 177.3(11) . . . . ?
C49 C50 C51 C52 2.1(16) . . . . ?
C50 C49 C54 C53 0.8(18) . . . . ?
C50 C51 C52 C53 0.8(18) . . . . ?
C51 C52 C53 C54 -2.9(18) . . . . ?
C52 C53 C54 C49 2.1(19) . . . . ?
C54 C49 C50 O15 -179.8(10) . . . . ?
C54 C49 C50 C51 -2.9(16) . . . . ?
C55 C56 C64 C65 -0.6(17) . . . . ?
C56 N11 C57 C58 173.7(10) . . . . ?
C56 C55 C67 C66 -2.1(15) . . . . ?
C56 C64 C65 C66 -0.8(18) . . . . ?
C57 N11 C56 C55 140.7(10) . . . . ?
C57 N11 C56 C64 -44.5(14) . . . . ?
C57 C58 C59 O16 -6.9(16) . . . . ?
C57 C58 C59 C60 173.2(10) . . . . ?
C57 C58 C63 C62 -177.2(10) . . . . ?
C58 C59 C60 C61 1.9(17) . . . . ?
C59 C58 C63 C62 -5.0(16) . . . . ?
C59 C60 C61 C62 -1.7(18) . . . . ?
C60 C61 C62 C63 -1.9(17) . . . . ?
C61 C62 C63 C58 5.3(16) . . . . ?
C63 C58 C59 O16 -178.8(9) . . . . ?
C63 C58 C59 C60 1.3(15) . . . . ?
C64 C65 C66 C67 0.8(17) . . . . ?
C65 C66 C67 C55 0.6(17) . . . . ?
C67 C55 C56 N11 176.9(9) . . . . ?
C67 C55 C56 C64 2.0(15) . . . . ?
C68 C69 C70 N12 7.4(17) . . . . ?
C68 C69 C77 C78 -3.4(16) . . . . ?
C69 C68 C80 C79 -4.2(15) . . . . ?
C69 C77 C78 C79 1.8(16) . . . . ?
C70 N12 C71 C72 131.1(10) . . . . ?
C70 N12 C71 C76 -48.1(13) . . . . ?
C70 C69 C77 C78 178.4(10) . . . . ?
C71 N12 C70 C69 176.5(10) . . . . ?
C71 C72 C73 C74 0.7(16) . . . . ?
C72 C71 C76 C75 -1.0(16) . . . . ?
C72 C73 C74 C75 -0.5(17) . . . . ?
C73 C74 C75 C76 -0.4(17) . . . . ?
C74 C75 C76 C71 1.2(18) . . . . ?
C76 C71 C72 C46 179.5(10) . . . . ?
C76 C71 C72 C73 0.1(15) . . . . ?
C77 C69 C70 N12 -174.4(10) . . . . ?
C77 C78 C79 C80 -1.5(17) . . . . ?
C78 C79 C80 C68 2.8(17) . . . . ?
C80 C68 C69 C70 -177.5(9) . . . . ?
C80 C68 C69 C77 4.4(15) . . . . ?
C81 C44 C45 N7 -180.0(11) . . . . ?
C81 C82 C83 C84 0.7(18) . . . . ?
C82 C83 C84 C43 -1.6(17) . . . . ?
C84 C43 C44 C45 -178.3(10) . . . . ?
C84 C43 C44 C81 0.1(15) . . . . ?
Dy7 O28 C110 N16 -11.7(14) . . . . ?
Dy7 O28 C110 C118 164.4(7) . . . . ?
Dy7 O29 C113 C112 3.3(16) . . . . ?
Dy7 O29 C113 C114 -178.1(7) . . . . ?
Dy7 O36 C138 C137 144.0(8) . . . . ?
Dy7 O36 C138 C139 -37.7(13) . . . . ?
Dy7 N17 C111 C112 8.7(16) . . . . ?
Dy8 O29 C113 C112 132.4(9) . . . . ?
Dy8 O29 C113 C114 -48.9(12) . . . . ?
Dy8 O35 C135 N21 -16.1(15) . . . . ?
Dy8 O35 C135 C143 161.3(7) . . . . ?
Dy8 O36 C138 C137 -4.9(16) . . . . ?
Dy8 O36 C138 C139 173.5(7) . . . . ?
Dy8 N22 C136 C137 8.2(16) . . . . ?
Dy9 O26 C92 C91 127.0(10) . . . . ?
Dy9 O26 C92 C93 -53.7(12) . . . . ?
Dy9 O31 C131 C132 -7.5(16) . . . . ?
Dy9 O31 C131 C172 168.8(7) . . . . ?
Dy9 O32 C134 N20 -12.4(15) . . . . ?
Dy9 O32 C134 C160 163.7(8) . . . . ?
Dy9 N19 N20 C134 0.2(12) . . . . ?
Dy9 N19 C133 C132 1.1(18) . . . . ?
Dy10 O25 C89 N13 -16.5(14) . . . . ?
Dy10 O25 C89 C97 157.2(7) . . . . ?
Dy10 O26 C92 C91 11.8(17) . . . . ?
Dy10 O26 C92 C93 -169.0(8) . . . . ?
Dy10 O31 C131 C132 143.8(8) . . . . ?
Dy10 O31 C131 C172 -39.9(13) . . . . ?
Dy10 N14 C90 C91 -4.7(19) . . . . ?
Dy11 O25 C89 N13 -174.5(7) . . . . ?
Dy11 O25 C89 C97 -0.8(16) . . . . ?
Dy11 O27 C101 C100 -35.1(15) . . . . ?
Dy11 O27 C101 C102 146.7(8) . . . . ?
Dy11 O28 C110 N16 -178.7(7) . . . . ?
Dy11 O28 C110 C118 -2.7(16) . . . . ?
Dy11 O30 C122 C121 -39.2(14) . . . . ?
Dy11 O30 C122 C123 143.1(8) . . . . ?
Dy11 N15 C98 C97 -54.7(11) . . . . ?
Dy11 N15 C98 C106 124.9(9) . . . . ?
Dy11 N15 C99 C100 8.9(15) . . . . ?
Dy11 N18 C119 C118 -52.0(12) . . . . ?
Dy11 N18 C119 C127 128.2(9) . . . . ?
Dy11 N18 C120 C121 6.0(14) . . . . ?
Dy12 O32 C134 N20 178.0(8) . . . . ?
Dy12 O32 C134 C160 -5.9(17) . . . . ?
Dy12 O35 C135 N21 -175.8(7) . . . . ?
Dy12 O35 C135 C143 1.7(16) . . . . ?
Dy12 O37 C147 C146 -39.5(16) . . . . ?
Dy12 O37 C147 C148 142.2(9) . . . . ?
Dy12 O38 C156 C157 -22.8(18) . . . . ?
Dy12 O38 C156 C168 159.2(9) . . . . ?
Dy12 N23 C144 C143 -52.3(12) . . . . ?
Dy12 N23 C144 C152 127.8(9) . . . . ?
Dy12 N23 C145 C146 2.7(16) . . . . ?
Dy12 N24 C158 C157 0.2(18) . . . . ?
Dy12 N24 C159 C160 -55.2(13) . . . . ?
Dy12 N24 C159 C164 124.4(10) . . . . ?
O25 C89 C97 C98 26.5(15) . . . . ?
O25 C89 C97 C109 -146.9(10) . . . . ?
O26 C92 C93 C94 177.3(11) . . . . ?
O27 C101 C102 C103 179.3(11) . . . . ?
O28 C110 C118 C119 26.8(15) . . . . ?
O28 C110 C118 C130 -150.6(10) . . . . ?
O29 C113 C114 C115 178.9(10) . . . . ?
O30 C122 C123 C124 -179.6(10) . . . . ?
O31 C131 C132 C133 -4.3(17) . . . . ?
O31 C131 C132 C169 179.3(10) . . . . ?
O31 C131 C172 C171 -179.3(10) . . . . ?
O32 C134 C160 C159 31.5(17) . . . . ?
O32 C134 C160 C161 -145.9(11) . . . . ?
O35 C135 C143 C144 27.2(16) . . . . ?
O35 C135 C143 C155 -147.7(11) . . . . ?
O36 C138 C139 C140 -175.3(10) . . . . ?
O37 C147 C148 C149 -179.8(12) . . . . ?
O38 C156 C157 C158 3.5(17) . . . . ?
O38 C156 C157 C165 -176.1(10) . . . . ?
O38 C156 C168 C167 177.7(12) . . . . ?
N13 N14 C90 C91 -172.2(11) . . . . ?
N13 C89 C97 C98 -159.4(10) . . . . ?
N13 C89 C97 C109 27.2(15) . . . . ?
N14 N13 C89 O25 9.4(15) . . . . ?
N14 N13 C89 C97 -164.5(9) . . . . ?
N14 C90 C91 C92 2(2) . . . . ?
N14 C90 C91 C96 176.1(12) . . . . ?
N15 C98 C106 C107 179.7(10) . . . . ?
N15 C99 C100 C101 14.4(18) . . . . ?
N15 C99 C100 C105 -171.0(10) . . . . ?
N16 N17 C111 C112 -174.2(10) . . . . ?
N16 C110 C118 C119 -156.9(10) . . . . ?
N16 C110 C118 C130 25.8(14) . . . . ?
N17 N16 C110 O28 4.9(15) . . . . ?
N17 N16 C110 C118 -171.2(8) . . . . ?
N17 C111 C112 C113 -3.4(19) . . . . ?
N17 C111 C112 C117 173.2(10) . . . . ?
N18 C119 C127 C128 176.5(10) . . . . ?
N18 C120 C121 C122 19.7(16) . . . . ?
N18 C120 C121 C126 -166.5(10) . . . . ?
N19 N20 C134 O32 7.5(16) . . . . ?
N19 N20 C134 C160 -168.6(10) . . . . ?
N20 N19 C133 C132 -177.7(10) . . . . ?
N20 C134 C160 C159 -152.2(12) . . . . ?
N20 C134 C160 C161 30.3(17) . . . . ?
N21 N22 C136 C137 -176.3(10) . . . . ?
N21 C135 C143 C144 -155.2(10) . . . . ?
N21 C135 C143 C155 29.9(15) . . . . ?
N22 N21 C135 O35 5.8(15) . . . . ?
N22 N21 C135 C143 -171.7(8) . . . . ?
N22 C136 C137 C138 7.5(18) . . . . ?
N22 C136 C137 C142 -176.9(11) . . . . ?
N23 C144 C152 C153 179.1(10) . . . . ?
N23 C145 C146 C147 16.4(18) . . . . ?
N23 C145 C146 C151 -166.2(10) . . . . ?
N24 C159 C160 C134 3.7(18) . . . . ?
N24 C159 C160 C161 -178.9(11) . . . . ?
N24 C159 C164 C163 179.8(12) . . . . ?
C89 N13 N14 Dy10 1.4(11) . . . . ?
C89 N13 N14 C90 170.7(10) . . . . ?
C89 C97 C98 N15 5.8(15) . . . . ?
C89 C97 C98 C106 -173.8(10) . . . . ?
C89 C97 C109 C108 175.4(10) . . . . ?
C90 C91 C92 O26 -4.2(19) . . . . ?
C90 C91 C92 C93 176.5(12) . . . . ?
C90 C91 C96 C95 -175.2(12) . . . . ?
C91 C92 C93 C94 -3.4(18) . . . . ?
C92 C91 C96 C95 0.0(19) . . . . ?
C92 C93 C94 C95 3(2) . . . . ?
C93 C94 C95 C96 -1(2) . . . . ?
C94 C95 C96 C91 -1(2) . . . . ?
C96 C91 C92 O26 -178.7(11) . . . . ?
C96 C91 C92 C93 2.0(17) . . . . ?
C97 C98 C106 C107 -0.7(16) . . . . ?
C98 N15 C99 C100 -178.4(10) . . . . ?
C98 C97 C109 C108 1.7(16) . . . . ?
C98 C106 C107 C108 0.6(17) . . . . ?
C99 N15 C98 C97 131.9(10) . . . . ?
C99 N15 C98 C106 -48.5(13) . . . . ?
C99 C100 C101 O27 -4.1(17) . . . . ?
C99 C100 C101 C102 174.1(10) . . . . ?
C99 C100 C105 C104 -175.5(10) . . . . ?
C100 C101 C102 C103 0.9(17) . . . . ?
C101 C100 C105 C104 -0.7(16) . . . . ?
C101 C102 C103 C104 -0.6(19) . . . . ?
C102 C103 C104 C105 -0.4(19) . . . . ?
C103 C104 C105 C100 1.0(17) . . . . ?
C105 C100 C101 O27 -178.6(10) . . . . ?
C105 C100 C101 C102 -0.3(16) . . . . ?
C106 C107 C108 C109 0.6(17) . . . . ?
C107 C108 C109 C97 -1.8(18) . . . . ?
C109 C97 C98 N15 179.1(9) . . . . ?
C109 C97 C98 C106 -0.5(15) . . . . ?
C110 N16 N17 Dy7 3.7(11) . . . . ?
C110 N16 N17 C111 -173.8(9) . . . . ?
C110 C118 C119 N18 4.4(16) . . . . ?
C110 C118 C119 C127 -175.8(10) . . . . ?
C110 C118 C130 C129 178.1(11) . . . . ?
C111 C112 C113 O29 -2.9(17) . . . . ?
C111 C112 C113 C114 178.5(10) . . . . ?
C111 C112 C117 C116 -177.5(11) . . . . ?
C112 C113 C114 C115 -2.4(17) . . . . ?
C113 C112 C117 C116 -0.6(17) . . . . ?
C113 C114 C115 C116 1.6(18) . . . . ?
C114 C115 C116 C117 -0.2(18) . . . . ?
C115 C116 C117 C112 -0.3(19) . . . . ?
C117 C112 C113 O29 -179.5(10) . . . . ?
C117 C112 C113 C114 1.8(15) . . . . ?
C118 C119 C127 C128 -3.3(17) . . . . ?
C119 N18 C120 C121 179.1(9) . . . . ?
C119 C118 C130 C129 0.7(17) . . . . ?
C119 C127 C128 C129 2.7(18) . . . . ?
C120 N18 C119 C118 134.4(10) . . . . ?
C120 N18 C119 C127 -45.4(14) . . . . ?
C120 C121 C122 O30 -5.2(16) . . . . ?
C120 C121 C122 C123 172.6(10) . . . . ?
C120 C121 C126 C125 -176.7(10) . . . . ?
C121 C122 C123 C124 2.6(16) . . . . ?
C122 C121 C126 C125 -2.7(16) . . . . ?
C122 C123 C124 C125 -0.4(17) . . . . ?
C123 C124 C125 C126 -3.4(17) . . . . ?
C124 C125 C126 C121 4.9(17) . . . . ?
C126 C121 C122 O30 -178.9(9) . . . . ?
C126 C121 C122 C123 -1.1(15) . . . . ?
C127 C128 C129 C130 -0.4(19) . . . . ?
C128 C129 C130 C118 -1.3(19) . . . . ?
C130 C118 C119 N18 -178.3(10) . . . . ?
C130 C118 C119 C127 1.5(15) . . . . ?
C131 C132 C133 N19 6.9(19) . . . . ?
C131 C132 C169 C170 -1.3(17) . . . . ?
C132 C131 C172 C171 -2.8(16) . . . . ?
C132 C169 C170 C171 -0.5(18) . . . . ?
C133 N19 N20 C134 179.2(10) . . . . ?
C133 C132 C169 C170 -178.0(11) . . . . ?
C134 C160 C161 C162 176.1(13) . . . . ?
C135 N21 N22 Dy8 6.0(11) . . . . ?
C135 N21 N22 C136 -170.0(9) . . . . ?
C135 C143 C144 N23 3.3(16) . . . . ?
C135 C143 C144 C152 -176.7(10) . . . . ?
C135 C143 C155 C154 178.5(11) . . . . ?
C136 C137 C138 O36 -10.0(17) . . . . ?
C136 C137 C138 C139 171.6(10) . . . . ?
C136 C137 C142 C141 -173.9(11) . . . . ?
C137 C138 C139 C140 3.2(16) . . . . ?
C138 C137 C142 C141 2.0(18) . . . . ?
C138 C139 C140 C141 -0.5(18) . . . . ?
C139 C140 C141 C142 -1.5(19) . . . . ?
C140 C141 C142 C137 0.7(19) . . . . ?
C142 C137 C138 O36 174.5(10) . . . . ?
C142 C137 C138 C139 -3.9(16) . . . . ?
C143 C144 C152 C153 -0.8(16) . . . . ?
C144 N23 C145 C146 175.2(10) . . . . ?
C144 C143 C155 C154 3.3(18) . . . . ?
C144 C152 C153 C154 2.0(18) . . . . ?
C145 N23 C144 C143 134.5(11) . . . . ?
C145 N23 C144 C152 -45.5(14) . . . . ?
C145 C146 C147 O37 -0.6(18) . . . . ?
C145 C146 C147 C148 177.8(11) . . . . ?
C145 C146 C151 C150 179.5(10) . . . . ?
C146 C147 C148 C149 1.8(19) . . . . ?
C147 C146 C151 C150 -2.9(17) . . . . ?
C147 C148 C149 C150 -2(2) . . . . ?
C148 C149 C150 C151 -0.7(19) . . . . ?
C149 C150 C151 C146 3.0(18) . . . . ?
C151 C146 C147 O37 -177.9(10) . . . . ?
C151 C146 C147 C148 0.5(17) . . . . ?
C152 C153 C154 C155 -0.5(19) . . . . ?
C153 C154 C155 C143 -2.3(19) . . . . ?
C155 C143 C144 N23 178.3(10) . . . . ?
C155 C143 C144 C152 -1.8(16) . . . . ?
C156 C157 C158 N24 5.2(19) . . . . ?
C156 C157 C165 C166 -1.6(17) . . . . ?
C157 C156 C168 C167 -0.4(18) . . . . ?
C157 C165 C166 C167 -0.3(19) . . . . ?
C158 N24 C159 C160 126.3(12) . . . . ?
C158 N24 C159 C164 -54.1(15) . . . . ?
C158 C157 C165 C166 178.8(11) . . . . ?
C159 N24 C158 C157 178.5(11) . . . . ?
C159 C160 C161 C162 -1(2) . . . . ?
C160 C159 C164 C163 -1(2) . . . . ?
C160 C161 C162 C163 0(2) . . . . ?
C161 C162 C163 C164 0(2) . . . . ?
C162 C163 C164 C159 0(2) . . . . ?
C164 C159 C160 C134 -175.9(11) . . . . ?
C164 C159 C160 C161 1.5(19) . . . . ?
C165 C157 C158 N24 -175.2(12) . . . . ?
C165 C166 C167 C168 2(2) . . . . ?
C166 C167 C168 C156 -2(2) . . . . ?
C168 C156 C157 C158 -178.5(11) . . . . ?
C168 C156 C157 C165 2.0(16) . . . . ?
C169 C132 C133 N19 -176.4(11) . . . . ?
C169 C170 C171 C172 0.5(18) . . . . ?
C170 C171 C172 C131 1.1(17) . . . . ?
C172 C131 C132 C133 179.3(10) . . . . ?
C172 C131 C132 C169 2.8(15) . . . . ?
