#------------------------------------------------------------------------------
#$Date: 2017-09-30 06:02:35 +0300 (Sat, 30 Sep 2017) $
#$Revision: 201542 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/43/7044367.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_7044367
loop_
_publ_author_name
'Hau, Sam Chunkit'
'Mak, Thomas C. W.'
_publ_section_title
;
 Assembly of high-symmetry silver(I) alkyl-1,3-diynyl cluster complexes
 via core transformation
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03406G
_journal_year                    2017
_chemical_formula_moiety
'2(N O3), C204 H186 Ag8 P8, 8(C H4 O), 3(H2 O)'
_chemical_formula_sum            'C212 H224 Ag8 N2 O17 P8'
_chemical_formula_weight         4182.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2017-09-25
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-09-25 deposited with the CCDC.
2017-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.535(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.288(2)
_cell_length_b                   30.351(2)
_cell_length_c                   18.6689(12)
_cell_measurement_reflns_used    9677
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.40
_cell_volume                     19255(2)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1370
_diffrn_reflns_av_unetI/netI     0.0532
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            212944
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         1.777
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  27.94
_exptl_absorpt_correction_T_min  2.40
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_description       block
_exptl_crystal_F_000             8568
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.244
_refine_diff_density_min         -1.301
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1102
_refine_ls_number_reflns         17402
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0845P)²+59.6161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1433
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14287
_reflns_number_total             17402
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03406g2.cif
_cod_data_source_block           1
_cod_database_code               7044367
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.769
_shelx_estimated_absorpt_t_min   0.655
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O2-N1
 1.43 with sigma of 0.02
 O3-N1
 1.43 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C106) \\sim Ueq, Uanis(O4)
\\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O7) \\sim Ueq, :
with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O2W(0.5) H2WA(0.5) H2WB(0.5)
5.a Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
5.b Ternary CH refined with riding coordinates:
 C5(H5), C15(H15), C25(H25)
5.c Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C16(H16A,
 H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B),
 C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B)
5.d Aromatic/amide H refined with riding coordinates:
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
 C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48),
  C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57),
 C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66),
  C68(H68), C69(H69), C70(H70), C71(H71), C72(H72), C74(H74), C75(H75),
 C76(H76), C77(H77), C78(H78), C80(H80), C81(H81), C82(H82), C83(H83), C84(H84),
  C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C92(H92), C93(H93),
 C94(H94), C95(H95), C96(H96), C98(H98), C99(H99), C100(H100), C101(H101),
 C102(H102)
5.e Idealised Me refined as rotating group:
 C103(H10C,H10D,H10E), C104(H10F,H10G,H10H), C105(H10I,H10J,H10K), C106(H10L,
 H10M,H10N)
5.f Idealised tetrahedral OH refined as rotating group:
 O4(H4), O5(H5A), O6(H6), O7(H7)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
O1 O 0.8224(3) 0.5320(3) 0.5348(5) 0.143(3) Uiso 1 1 d . . . . .
Ag1 Ag 1.00883(2) 0.78372(2) 0.17545(2) 0.02421(9) Uani 1 1 d . . . . .
Ag2 Ag 1.0000 0.69354(2) 0.2500 0.02504(11) Uani 1 2 d S T P . .
Ag3 Ag 1.07645(2) 0.75380(2) 0.32719(2) 0.02462(10) Uani 1 1 d . . . . .
Ag4 Ag 1.0000 0.88240(2) 0.2500 0.02548(12) Uani 1 2 d S T P . .
Ag5 Ag 1.01941(2) 0.69245(2) 0.07481(2) 0.02575(10) Uani 1 1 d . . . . .
P1 P 0.99674(4) 0.92956(4) 0.13796(6) 0.0267(2) Uani 1 1 d . . . . .
P2 P 1.14878(3) 0.75311(3) 0.39821(6) 0.0219(2) Uani 1 1 d . . . . .
P3 P 1.00788(3) 0.61101(3) 0.05012(6) 0.0219(2) Uani 1 1 d . . . . .
P4 P 1.04203(3) 0.73259(4) -0.01916(6) 0.0272(2) Uani 1 1 d . . . . .
C1 C 1.05066(12) 0.82312(13) 0.2539(2) 0.0241(9) Uani 1 1 d . . . . .
C2 C 1.07474(13) 0.84428(14) 0.3040(3) 0.0268(9) Uani 1 1 d . . . . .
C3 C 1.10292(14) 0.86800(15) 0.3596(3) 0.0324(10) Uani 1 1 d . . . . .
C4 C 1.12915(16) 0.88609(17) 0.4088(3) 0.0415(12) Uani 1 1 d . . . . .
C5 C 1.16170(16) 0.90681(18) 0.4704(3) 0.0420(12) Uani 1 1 d . . . . .
H5 H 1.1830 0.8844 0.4908 0.050 Uiso 1 1 calc R . . . .
C6 C 1.14868(19) 0.9212(2) 0.5355(3) 0.0543(15) Uani 1 1 d . . . . .
H6A H 1.1391 0.8953 0.5562 0.065 Uiso 1 1 calc R . . . .
H6B H 1.1267 0.9425 0.5162 0.065 Uiso 1 1 calc R . . . .
C7 C 1.1832(2) 0.9429(2) 0.5997(3) 0.0579(16) Uani 1 1 d . . . . .
H7A H 1.1739 0.9532 0.6407 0.069 Uiso 1 1 calc R . . . .
H7B H 1.2041 0.9208 0.6220 0.069 Uiso 1 1 calc R . . . .
C8 C 1.1995(3) 0.9807(3) 0.5698(4) 0.074(2) Uani 1 1 d . . . . .
H8A H 1.2222 0.9932 0.6116 0.089 Uiso 1 1 calc R . . . .
H8B H 1.1792 1.0040 0.5518 0.089 Uiso 1 1 calc R . . . .
C9 C 1.2125(2) 0.9667(2) 0.5049(4) 0.0683(19) Uani 1 1 d . . . . .
H9A H 1.2343 0.9453 0.5241 0.082 Uiso 1 1 calc R . . . .
H9B H 1.2224 0.9927 0.4853 0.082 Uiso 1 1 calc R . . . .
C10 C 1.17876(17) 0.94576(19) 0.4395(3) 0.0488(14) Uani 1 1 d . . . . .
H10A H 1.1886 0.9353 0.3993 0.059 Uiso 1 1 calc R . . . .
H10B H 1.1579 0.9679 0.4166 0.059 Uiso 1 1 calc R . . . .
C11 C 0.96724(13) 0.74571(14) 0.0946(2) 0.0251(9) Uani 1 1 d . . . . .
C12 C 0.94264(12) 0.72140(14) 0.0501(2) 0.0253(9) Uani 1 1 d . . . . .
C13 C 0.91510(14) 0.69410(15) 0.0012(3) 0.0314(10) Uani 1 1 d . . . . .
C14 C 0.88990(15) 0.67052(16) -0.0397(3) 0.0389(11) Uani 1 1 d . . . . .
C15 C 0.85748(16) 0.64371(18) -0.0893(3) 0.0453(13) Uani 1 1 d . . . . .
H15 H 0.8324 0.6580 -0.0909 0.054 Uiso 1 1 calc R . . . .
C16 C 0.85801(18) 0.5974(2) -0.0579(4) 0.0536(15) Uani 1 1 d . . . . .
H16A H 0.8570 0.5990 -0.0056 0.064 Uiso 1 1 calc R . . . .
H16B H 0.8827 0.5824 -0.0549 0.064 Uiso 1 1 calc R . . . .
C17 C 0.82291(19) 0.5715(2) -0.1095(4) 0.0615(18) Uani 1 1 d . . . . .
H17A H 0.8242 0.5410 -0.0899 0.074 Uiso 1 1 calc R . . . .
H17B H 0.7984 0.5850 -0.1081 0.074 Uiso 1 1 calc R . . . .
C18 C 0.8216(2) 0.5700(3) -0.1900(5) 0.078(2) Uani 1 1 d . . . . .
H18A H 0.7971 0.5549 -0.2220 0.094 Uiso 1 1 calc R . . . .
H18B H 0.8442 0.5527 -0.1925 0.094 Uiso 1 1 calc R . . . .
C19 C 0.8227(2) 0.6153(3) -0.2217(4) 0.074(2) Uani 1 1 d . . . . .
H19A H 0.7980 0.6309 -0.2271 0.089 Uiso 1 1 calc R . . . .
H19B H 0.8244 0.6126 -0.2733 0.089 Uiso 1 1 calc R . . . .
C20 C 0.85755(17) 0.6428(2) -0.1712(3) 0.0529(15) Uani 1 1 d . . . . .
H20A H 0.8825 0.6298 -0.1717 0.063 Uiso 1 1 calc R . . . .
H20B H 0.8555 0.6732 -0.1914 0.063 Uiso 1 1 calc R . . . .
C21 C 1.05144(13) 0.69491(14) 0.2252(2) 0.0267(9) Uani 1 1 d . . . . .
C22 C 1.08155(13) 0.69805(14) 0.2105(2) 0.0258(9) Uani 1 1 d . . . . .
C23 C 1.11641(14) 0.69949(15) 0.1964(3) 0.0300(10) Uani 1 1 d . . . . .
C24 C 1.14716(14) 0.70125(16) 0.1867(3) 0.0341(11) Uani 1 1 d . . . . .
C25 C 1.18462(15) 0.70244(18) 0.1732(3) 0.0388(11) Uani 1 1 d . . . . .
H25 H 1.2050 0.7138 0.2211 0.047 Uiso 1 1 calc R . . . .
C26 C 1.19722(16) 0.6556(2) 0.1596(4) 0.0477(13) Uani 1 1 d . . . . .
H26A H 1.2004 0.6371 0.2050 0.057 Uiso 1 1 calc R . . . .
H26B H 1.1765 0.6422 0.1152 0.057 Uiso 1 1 calc R . . . .
C27 C 1.23584(19) 0.6570(3) 0.1444(5) 0.069(2) Uani 1 1 d . . . . .
H27A H 1.2573 0.6663 0.1916 0.083 Uiso 1 1 calc R . . . .
H27B H 1.2421 0.6270 0.1311 0.083 Uiso 1 1 calc R . . . .
C28 C 1.2339(2) 0.6881(3) 0.0807(5) 0.078(2) Uani 1 1 d . . . . .
H28A H 1.2598 0.6890 0.0742 0.093 Uiso 1 1 calc R . . . .
H28B H 1.2142 0.6773 0.0323 0.093 Uiso 1 1 calc R . . . .
C29 C 1.22278(19) 0.7337(2) 0.0969(4) 0.0623(17) Uani 1 1 d . . . . .
H29A H 1.2210 0.7533 0.0534 0.075 Uiso 1 1 calc R . . . .
H29B H 1.2435 0.7454 0.1431 0.075 Uiso 1 1 calc R . . . .
C30 C 1.18334(17) 0.7338(2) 0.1096(3) 0.0508(14) Uani 1 1 d . . . . .
H30A H 1.1775 0.7639 0.1228 0.061 Uiso 1 1 calc R . . . .
H30B H 1.1621 0.7248 0.0618 0.061 Uiso 1 1 calc R . . . .
C31 C 0.97666(14) 0.98457(14) 0.1393(2) 0.0292(10) Uani 1 1 d . . . . .
C32 C 0.93696(16) 0.98807(17) 0.1311(3) 0.0411(12) Uani 1 1 d . . . . .
H32 H 0.9214 0.9622 0.1244 0.049 Uiso 1 1 calc R . . . .
C33 C 0.92005(19) 1.02913(18) 0.1328(3) 0.0478(13) Uani 1 1 d . . . . .
H33 H 0.8931 1.0312 0.1276 0.057 Uiso 1 1 calc R . . . .
C34 C 0.94266(19) 1.06660(17) 0.1422(3) 0.0499(14) Uani 1 1 d . . . . .
H34 H 0.9314 1.0947 0.1433 0.060 Uiso 1 1 calc R . . . .
C35 C 0.9816(2) 1.06323(17) 0.1499(3) 0.0502(14) Uani 1 1 d . . . . .
H35 H 0.9969 1.0893 0.1556 0.060 Uiso 1 1 calc R . . . .
C36 C 0.99902(17) 1.02253(16) 0.1494(3) 0.0390(11) Uani 1 1 d . . . . .
H36 H 1.0262 1.0208 0.1559 0.047 Uiso 1 1 calc R . . . .
C37 C 1.04611(14) 0.94017(14) 0.1374(3) 0.0295(10) Uani 1 1 d . . . . .
C38 C 1.05453(15) 0.94634(15) 0.0709(3) 0.0330(10) Uani 1 1 d . . . . .
H38 H 1.0341 0.9444 0.0224 0.040 Uiso 1 1 calc R . . . .
C39 C 1.09302(16) 0.95541(17) 0.0755(3) 0.0410(12) Uani 1 1 d . . . . .
H39 H 1.0987 0.9600 0.0301 0.049 Uiso 1 1 calc R . . . .
C40 C 1.12269(16) 0.95765(17) 0.1455(3) 0.0426(12) Uani 1 1 d . . . . .
H40 H 1.1489 0.9640 0.1486 0.051 Uiso 1 1 calc R . . . .
C41 C 1.11452(17) 0.95079(19) 0.2103(3) 0.0482(13) Uani 1 1 d . . . . .
H41 H 1.1352 0.9520 0.2586 0.058 Uiso 1 1 calc R . . . .
C42 C 1.07661(16) 0.94205(17) 0.2067(3) 0.0400(12) Uani 1 1 d . . . . .
H42 H 1.0715 0.9373 0.2526 0.048 Uiso 1 1 calc R . . . .
C43 C 0.96937(13) 0.91028(14) 0.0422(2) 0.0267(9) Uani 1 1 d . . . . .
C44 C 0.96553(15) 0.86498(15) 0.0283(3) 0.0358(11) Uani 1 1 d . . . . .
H44 H 0.9764 0.8449 0.0694 0.043 Uiso 1 1 calc R . . . .
C45 C 0.94624(16) 0.84920(17) -0.0437(3) 0.0413(12) Uani 1 1 d . . . . .
H45 H 0.9447 0.8183 -0.0525 0.050 Uiso 1 1 calc R . . . .
C46 C 0.92911(15) 0.87732(17) -0.1033(3) 0.0387(11) Uani 1 1 d . . . . .
H46 H 0.9154 0.8660 -0.1530 0.046 Uiso 1 1 calc R . . . .
C47 C 0.93182(15) 0.92226(17) -0.0911(3) 0.0367(11) Uani 1 1 d . . . . .
H47 H 0.9197 0.9420 -0.1321 0.044 Uiso 1 1 calc R . . . .
C48 C 0.95215(14) 0.93822(15) -0.0190(3) 0.0323(10) Uani 1 1 d . . . . .
H48 H 0.9544 0.9692 -0.0110 0.039 Uiso 1 1 calc R . . . .
C49 C 1.17698(12) 0.79485(14) 0.3690(3) 0.0243(9) Uani 1 1 d . . . . .
C50 C 1.16589(14) 0.80511(16) 0.2920(3) 0.0339(10) Uani 1 1 d . . . . .
H50 H 1.1438 0.7909 0.2559 0.041 Uiso 1 1 calc R . . . .
C51 C 1.18694(16) 0.83604(18) 0.2674(3) 0.0434(12) Uani 1 1 d . . . . .
H51 H 1.1799 0.8421 0.2143 0.052 Uiso 1 1 calc R . . . .
C52 C 1.21838(16) 0.85818(18) 0.3204(3) 0.0434(12) Uani 1 1 d . . . . .
H52 H 1.2324 0.8800 0.3038 0.052 Uiso 1 1 calc R . . . .
C53 C 1.22902(14) 0.84828(16) 0.3965(3) 0.0371(11) Uani 1 1 d . . . . .
H53 H 1.2506 0.8633 0.4326 0.045 Uiso 1 1 calc R . . . .
C54 C 1.20873(13) 0.81664(15) 0.4215(3) 0.0304(10) Uani 1 1 d . . . . .
H54 H 1.2165 0.8099 0.4745 0.037 Uiso 1 1 calc R . . . .
C55 C 1.16341(12) 0.76054(14) 0.5012(2) 0.0246(9) Uani 1 1 d . . . . .
C56 C 1.19478(13) 0.73765(15) 0.5526(3) 0.0298(10) Uani 1 1 d . . . . .
H56 H 1.2098 0.7180 0.5341 0.036 Uiso 1 1 calc R . . . .
C57 C 1.20438(15) 0.74323(17) 0.6309(3) 0.0370(11) Uani 1 1 d . . . . .
H57 H 1.2258 0.7273 0.6656 0.044 Uiso 1 1 calc R . . . .
C58 C 1.18298(16) 0.77177(19) 0.6583(3) 0.0435(12) Uani 1 1 d . . . . .
H58 H 1.1894 0.7756 0.7119 0.052 Uiso 1 1 calc R . . . .
C59 C 1.15217(17) 0.79481(19) 0.6074(3) 0.0449(13) Uani 1 1 d . . . . .
H59 H 1.1378 0.8151 0.6262 0.054 Uiso 1 1 calc R . . . .
C60 C 1.14180(15) 0.78884(16) 0.5293(3) 0.0348(11) Uani 1 1 d . . . . .
H60 H 1.1199 0.8042 0.4950 0.042 Uiso 1 1 calc R . . . .
C61 C 1.17265(13) 0.70182(14) 0.3887(2) 0.0248(9) Uani 1 1 d . . . . .
C62 C 1.15284(14) 0.66228(15) 0.3873(3) 0.0334(10) Uani 1 1 d . . . . .
H62 H 1.1275 0.6625 0.3917 0.040 Uiso 1 1 calc R . . . .
C63 C 1.16993(17) 0.62296(16) 0.3797(3) 0.0421(12) Uani 1 1 d . . . . .
H63 H 1.1564 0.5962 0.3795 0.051 Uiso 1 1 calc R . . . .
C64 C 1.20608(16) 0.62185(17) 0.3723(3) 0.0424(12) Uani 1 1 d . . . . .
H64 H 1.2173 0.5945 0.3662 0.051 Uiso 1 1 calc R . . . .
C65 C 1.22632(15) 0.66066(18) 0.3738(3) 0.0412(12) Uani 1 1 d . . . . .
H65 H 1.2515 0.6601 0.3689 0.049 Uiso 1 1 calc R . . . .
C66 C 1.20939(13) 0.70030(16) 0.3824(3) 0.0317(10) Uani 1 1 d . . . . .
H66 H 1.2234 0.7270 0.3840 0.038 Uiso 1 1 calc R . . . .
C67 C 0.98155(12) 0.59367(13) -0.0479(2) 0.0235(9) Uani 1 1 d . . . . .
C68 C 0.98925(15) 0.61527(16) -0.1066(3) 0.0364(11) Uani 1 1 d . . . . .
H68 H 1.0071 0.6394 -0.0949 0.044 Uiso 1 1 calc R . . . .
C69 C 0.97156(16) 0.60239(18) -0.1812(3) 0.0408(12) Uani 1 1 d . . . . .
H69 H 0.9779 0.6171 -0.2203 0.049 Uiso 1 1 calc R . . . .
C70 C 0.94473(15) 0.56848(17) -0.2002(3) 0.0354(11) Uani 1 1 d . . . . .
H70 H 0.9319 0.5604 -0.2522 0.043 Uiso 1 1 calc R . . . .
C71 C 0.93662(14) 0.54640(15) -0.1430(3) 0.0337(10) Uani 1 1 d . . . . .
H71 H 0.9185 0.5226 -0.1553 0.040 Uiso 1 1 calc R . . . .
C72 C 0.95493(13) 0.55898(14) -0.0673(2) 0.0264(9) Uani 1 1 d . . . . .
H72 H 0.9492 0.5436 -0.0281 0.032 Uiso 1 1 calc R . . . .
C73 C 0.98312(12) 0.58256(14) 0.1056(2) 0.0230(8) Uani 1 1 d . . . . .
C74 C 0.98726(14) 0.53749(14) 0.1203(3) 0.0309(10) Uani 1 1 d . . . . .
H74 H 1.0044 0.5207 0.1025 0.037 Uiso 1 1 calc R . . . .
C75 C 0.96671(16) 0.51729(16) 0.1604(3) 0.0379(11) Uani 1 1 d . . . . .
H75 H 0.9696 0.4865 0.1698 0.046 Uiso 1 1 calc R . . . .
C76 C 0.94183(15) 0.54118(17) 0.1871(3) 0.0374(11) Uani 1 1 d . . . . .
H76 H 0.9279 0.5270 0.2153 0.045 Uiso 1 1 calc R . . . .
C77 C 0.93729(14) 0.58574(17) 0.1725(3) 0.0350(11) Uani 1 1 d . . . . .
H77 H 0.9201 0.6023 0.1904 0.042 Uiso 1 1 calc R . . . .
C78 C 0.95766(13) 0.60637(14) 0.1319(2) 0.0265(9) Uani 1 1 d . . . . .
H78 H 0.9543 0.6371 0.1218 0.032 Uiso 1 1 calc R . . . .
C79 C 1.05475(13) 0.58244(14) 0.0738(3) 0.0255(9) Uani 1 1 d . . . . .
C80 C 1.08322(14) 0.59037(15) 0.1447(3) 0.0351(11) Uani 1 1 d . . . . .
H80 H 1.0772 0.6090 0.1800 0.042 Uiso 1 1 calc R . . . .
C81 C 1.12007(15) 0.57173(17) 0.1650(3) 0.0424(12) Uani 1 1 d . . . . .
H81 H 1.1390 0.5773 0.2142 0.051 Uiso 1 1 calc R . . . .
C82 C 1.12964(15) 0.54509(17) 0.1143(4) 0.0449(13) Uani 1 1 d . . . . .
H82 H 1.1552 0.5326 0.1281 0.054 Uiso 1 1 calc R . . . .
C83 C 1.10151(15) 0.53668(17) 0.0429(3) 0.0396(12) Uani 1 1 d . . . . .
H83 H 1.1079 0.5184 0.0076 0.048 Uiso 1 1 calc R . . . .
C84 C 1.06450(14) 0.55478(15) 0.0231(3) 0.0307(10) Uani 1 1 d . . . . .
H84 H 1.0453 0.5484 -0.0256 0.037 Uiso 1 1 calc R . . . .
C85 C 1.06726(13) 0.69637(15) -0.0653(3) 0.0289(10) Uani 1 1 d . . . . .
C86 C 1.09356(15) 0.66580(16) -0.0198(3) 0.0345(11) Uani 1 1 d . . . . .
H86 H 1.0971 0.6638 0.0329 0.041 Uiso 1 1 calc R . . . .
C87 C 1.11467(16) 0.63827(17) -0.0502(3) 0.0414(12) Uani 1 1 d . . . . .
H87 H 1.1327 0.6175 -0.0185 0.050 Uiso 1 1 calc R . . . .
C88 C 1.10928(18) 0.64132(18) -0.1274(3) 0.0460(13) Uani 1 1 d . . . . .
H88 H 1.1238 0.6227 -0.1487 0.055 Uiso 1 1 calc R . . . .
C89 C 1.08294(18) 0.67130(18) -0.1734(3) 0.0468(13) Uani 1 1 d . . . . .
H89 H 1.0793 0.6730 -0.2262 0.056 Uiso 1 1 calc R . . . .
C90 C 1.06189(17) 0.69886(17) -0.1434(3) 0.0389(11) Uani 1 1 d . . . . .
H90 H 1.0438 0.7195 -0.1754 0.047 Uiso 1 1 calc R . . . .
C91 C 1.00018(14) 0.75453(16) -0.0977(3) 0.0309(10) Uani 1 1 d . . . . .
C92 C 1.00212(16) 0.79186(18) -0.1391(3) 0.0404(12) Uani 1 1 d . . . . .
H92 H 1.0263 0.8072 -0.1273 0.048 Uiso 1 1 calc R . . . .
C93 C 0.96910(18) 0.8069(2) -0.1973(3) 0.0475(14) Uani 1 1 d . . . . .
H93 H 0.9708 0.8325 -0.2252 0.057 Uiso 1 1 calc R . . . .
C94 C 0.93399(18) 0.7853(2) -0.2152(3) 0.0506(15) Uani 1 1 d . . . . .
H94 H 0.9116 0.7954 -0.2560 0.061 Uiso 1 1 calc R . . . .
C95 C 0.93138(17) 0.74854(19) -0.1735(3) 0.0469(14) Uani 1 1 d . . . . .
H95 H 0.9069 0.7338 -0.1849 0.056 Uiso 1 1 calc R . . . .
C96 C 0.96411(15) 0.73313(18) -0.1155(3) 0.0377(11) Uani 1 1 d . . . . .
H96 H 0.9621 0.7077 -0.0874 0.045 Uiso 1 1 calc R . . . .
C97 C 1.07572(13) 0.77927(15) 0.0095(3) 0.0288(9) Uani 1 1 d . . . . .
C98 C 1.07704(14) 0.80311(16) 0.0740(3) 0.0336(10) Uani 1 1 d . . . . .
H98 H 1.0614 0.7942 0.1028 0.040 Uiso 1 1 calc R . . . .
C99 C 1.10096(16) 0.83961(17) 0.0963(3) 0.0399(12) Uani 1 1 d . . . . .
H99 H 1.1013 0.8561 0.1398 0.048 Uiso 1 1 calc R . . . .
C100 C 1.12421(16) 0.85200(17) 0.0555(3) 0.0425(12) Uani 1 1 d . . . . .
H100 H 1.1408 0.8771 0.0710 0.051 Uiso 1 1 calc R . . . .
C101 C 1.12359(16) 0.82821(17) -0.0077(3) 0.0417(12) Uani 1 1 d . . . . .
H101 H 1.1397 0.8369 -0.0358 0.050 Uiso 1 1 calc R . . . .
C102 C 1.09972(15) 0.79184(16) -0.0302(3) 0.0355(11) Uani 1 1 d . . . . .
H102 H 1.0997 0.7753 -0.0734 0.043 Uiso 1 1 calc R . . . .
C103 C 0.7347(3) 0.6460(4) 0.6043(7) 0.117(4) Uani 1 1 d . U . . .
H10C H 0.7374 0.6488 0.5541 0.176 Uiso 1 1 calc GR . . . .
H10D H 0.7599 0.6530 0.6444 0.176 Uiso 1 1 calc GR . . . .
H10E H 0.7145 0.6665 0.6076 0.176 Uiso 1 1 calc GR . . . .
C104 C 0.7285(3) 0.4955(4) 0.3077(7) 0.115(4) Uani 1 1 d . U . . .
H10F H 0.7256 0.4809 0.2592 0.172 Uiso 1 1 calc GR . . . .
H10G H 0.7040 0.5108 0.3031 0.172 Uiso 1 1 calc GR . . . .
H10H H 0.7344 0.4735 0.3485 0.172 Uiso 1 1 calc GR . . . .
C105 C 1.1707(3) 0.7477(4) 0.8727(6) 0.098(3) Uani 1 1 d . . . . .
H10I H 1.1732 0.7188 0.8515 0.148 Uiso 1 1 calc GR . . . .
H10J H 1.1494 0.7469 0.8935 0.148 Uiso 1 1 calc GR . . . .
H10K H 1.1954 0.7553 0.9135 0.148 Uiso 1 1 calc GR . . . .
C106 C 1.1602(3) 0.8915(4) -0.2185(7) 0.128(4) Uani 1 1 d . U . . .
H10L H 1.1590 0.8715 -0.2605 0.192 Uiso 1 1 calc GR . . . .
H10M H 1.1857 0.9066 -0.2007 0.192 Uiso 1 1 calc GR . . . .
H10N H 1.1390 0.9132 -0.2364 0.192 Uiso 1 1 calc GR . . . .
O4 O 0.7237(2) 0.6026(3) 0.6142(5) 0.117(2) Uani 1 1 d . U . . .
H4 H 0.7335 0.5851 0.5909 0.176 Uiso 1 1 calc GR . . . .
O5 O 0.7611(3) 0.5278(3) 0.3261(6) 0.138(3) Uani 1 1 d . U . . .
H5A H 0.7685 0.5342 0.3728 0.208 Uiso 1 1 calc GR . . . .
O6 O 1.1624(3) 0.7787(3) 0.8164(4) 0.127(3) Uani 1 1 d . U . . .
H6 H 1.1657 0.8039 0.8360 0.190 Uiso 1 1 calc GR . . . .
O7 O 1.1560(3) 0.8675(3) -0.1589(5) 0.136(3) Uani 1 1 d . U . . .
H7 H 1.1759 0.8711 -0.1193 0.204 Uiso 1 1 calc GR . . A 1
O1W O 0.6873(3) 0.5796(3) 0.4563(5) 0.133(3) Uiso 1 1 d . U . . .
H1WA H 0.6811 0.5749 0.4075 0.199 Uiso 1 1 d G . . . .
H1WB H 0.7109 0.5906 0.4708 0.199 Uiso 1 1 d G . . . .
O2W O 0.7945(3) 0.4730(3) 0.7057(5) 0.058(2) Uiso 0.5 1 d . . . . .
H2WA H 0.7855 0.4667 0.7419 0.087 Uiso 0.5 1 d G . . . .
H2WB H 0.8191 0.4798 0.7296 0.087 Uiso 0.5 1 d G . . . .
O2 O 0.7819(2) 0.5511(3) 0.5982(5) 0.119(2) Uiso 1 1 d D . . . .
O3 O 0.7638(2) 0.5612(3) 0.4661(5) 0.122(2) Uiso 1 1 d D . . . .
N1 N 0.7891(4) 0.5545(4) 0.5336(7) 0.155(4) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
Ag1 Ag1 Ag2 60.735(7) 2_755 .
Ag1 Ag1 Ag3 61.992(12) 2_755 .
Ag1 Ag1 Ag3 60.438(11) 2_755 2_755
Ag1 Ag1 Ag4 62.883(7) 2_755 .
Ag2 Ag1 Ag3 61.308(8) . .
Ag2 Ag1 Ag3 60.788(8) . 2_755
Ag2 Ag1 Ag4 123.618(12) . .
Ag3 Ag1 Ag3 111.946(12) . 2_755
Ag3 Ag1 Ag4 92.384(11) . .
Ag3 Ag1 Ag4 91.545(10) 2_755 .
C1 Ag1 Ag1 72.20(11) . 2_755
C1 Ag1 Ag2 110.65(11) . .
C1 Ag1 Ag3 52.30(11) . .
C1 Ag1 Ag3 129.49(11) . 2_755
C1 Ag1 Ag4 49.34(11) . .
C11 Ag1 Ag1 109.32(11) . 2_755
C11 Ag1 Ag2 71.09(11) . .
C11 Ag1 Ag3 51.61(11) . 2_755
C11 Ag1 Ag3 129.16(11) . .
C11 Ag1 Ag4 130.28(11) . .
C11 Ag1 C1 178.20(16) . .
Ag1 Ag2 Ag1 58.530(14) 2_755 .
Ag1 Ag2 Ag3 59.711(11) . .
Ag1 Ag2 Ag3 59.711(11) 2_755 2_755
Ag1 Ag2 Ag3 60.702(11) . 2_755
Ag1 Ag2 Ag3 60.701(11) 2_755 .
Ag3 Ag2 Ag3 110.562(18) 2_755 .
C21 Ag2 Ag1 69.14(12) 2_755 2_755
C21 Ag2 Ag1 108.73(12) 2_755 .
C21 Ag2 Ag1 108.73(12) . 2_755
C21 Ag2 Ag1 69.13(12) . .
C21 Ag2 Ag3 52.08(12) 2_755 2_755
C21 Ag2 Ag3 126.27(12) 2_755 .
C21 Ag2 Ag3 126.27(12) . 2_755
C21 Ag2 Ag3 52.08(12) . .
C21 Ag2 C21 177.7(2) 2_755 .
Ag1 Ag3 Ag1 57.568(12) . 2_755
Ag1 Ag3 Ag2 58.981(10) . .
Ag1 Ag3 Ag2 58.509(10) 2_755 .
P2 Ag3 Ag1 145.19(3) . .
P2 Ag3 Ag1 147.25(3) . 2_755
P2 Ag3 Ag2 144.79(3) . .
P2 Ag3 C1 114.82(10) . .
P2 Ag3 C11 116.81(10) . 2_755
P2 Ag3 C21 115.23(10) . .
C1 Ag3 Ag1 41.01(10) . .
C1 Ag3 Ag1 65.21(9) . 2_755
C1 Ag3 Ag2 97.75(10) . .
C1 Ag3 C11 102.04(14) . 2_755
C1 Ag3 C21 102.41(14) . .
C11 Ag3 Ag1 95.69(10) 2_755 .
C11 Ag3 Ag1 40.18(10) 2_755 2_755
C11 Ag3 Ag2 65.41(10) 2_755 .
C11 Ag3 C21 103.56(14) 2_755 .
C21 Ag3 Ag1 95.66(10) . 2_755
C21 Ag3 Ag1 64.46(10) . .
C21 Ag3 Ag2 40.21(10) . .
Ag1 Ag4 Ag1 54.231(13) 2_755 .
P1 Ag4 Ag1 150.60(3) . 2_755
P1 Ag4 Ag1 150.60(3) 2_755 .
P1 Ag4 Ag1 98.44(3) 2_755 2_755
P1 Ag4 Ag1 98.44(3) . .
P1 Ag4 P1 110.24(5) 2_755 .
P1 Ag4 C1 104.41(10) . .
P1 Ag4 C1 104.41(10) 2_755 2_755
P1 Ag4 C1 123.82(10) . 2_755
P1 Ag4 C1 123.82(10) 2_755 .
C1 Ag4 Ag1 62.20(9) 2_755 .
C1 Ag4 Ag1 38.09(10) 2_755 2_755
C1 Ag4 Ag1 62.19(9) . 2_755
C1 Ag4 Ag1 38.09(10) . .
C1 Ag4 C1 90.48(18) 2_755 .
P3 Ag5 C11 123.39(10) . .
P3 Ag5 C21 101.85(9) . .
P4 Ag5 P3 115.07(4) . .
P4 Ag5 C11 103.30(9) . .
P4 Ag5 C21 127.09(10) . .
C11 Ag5 C21 84.42(13) . .
C31 P1 Ag4 114.46(14) . .
C37 P1 Ag4 110.33(15) . .
C37 P1 C31 103.7(2) . .
C43 P1 Ag4 119.28(14) . .
C43 P1 C31 103.0(2) . .
C43 P1 C37 104.5(2) . .
C49 P2 Ag3 115.54(14) . .
C55 P2 Ag3 115.05(14) . .
C55 P2 C49 104.04(19) . .
C61 P2 Ag3 113.82(14) . .
C61 P2 C49 103.2(2) . .
C61 P2 C55 103.7(2) . .
C67 P3 Ag5 117.52(14) . .
C67 P3 C79 102.87(19) . .
C73 P3 Ag5 116.53(14) . .
C73 P3 C67 104.26(19) . .
C73 P3 C79 104.1(2) . .
C79 P3 Ag5 109.97(14) . .
C85 P4 Ag5 112.31(15) . .
C91 P4 Ag5 110.83(15) . .
C91 P4 C85 104.7(2) . .
C97 P4 Ag5 121.58(15) . .
C97 P4 C85 102.2(2) . .
C97 P4 C91 103.6(2) . .
Ag1 C1 Ag3 86.69(14) . .
Ag1 C1 Ag4 92.57(16) . .
Ag3 C1 Ag4 137.20(17) . .
C2 C1 Ag1 175.2(4) . .
C2 C1 Ag3 89.6(3) . .
C2 C1 Ag4 88.0(3) . .
C1 C2 C3 178.1(5) . .
C4 C3 C2 175.4(5) . .
C3 C4 C5 178.1(6) . .
C4 C5 H5 107.9 . .
C4 C5 C6 111.1(5) . .
C4 C5 C10 110.7(5) . .
C6 C5 H5 107.9 . .
C6 C5 C10 111.0(5) . .
C10 C5 H5 107.9 . .
C5 C6 H6A 109.6 . .
C5 C6 H6B 109.6 . .
C5 C6 C7 110.5(5) . .
H6A C6 H6B 108.1 . .
C7 C6 H6A 109.6 . .
C7 C6 H6B 109.6 . .
C6 C7 H7A 109.4 . .
C6 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
C8 C7 C6 111.1(5) . .
C8 C7 H7A 109.4 . .
C8 C7 H7B 109.4 . .
C7 C8 H8A 109.4 . .
C7 C8 H8B 109.4 . .
C7 C8 C9 111.2(6) . .
H8A C8 H8B 108.0 . .
C9 C8 H8A 109.4 . .
C9 C8 H8B 109.4 . .
C8 C9 H9A 109.3 . .
C8 C9 H9B 109.3 . .
C8 C9 C10 111.8(6) . .
H9A C9 H9B 107.9 . .
C10 C9 H9A 109.3 . .
C10 C9 H9B 109.3 . .
C5 C10 H10A 109.8 . .
C5 C10 H10B 109.8 . .
C9 C10 C5 109.5(5) . .
C9 C10 H10A 109.8 . .
C9 C10 H10B 109.8 . .
H10A C10 H10B 108.2 . .
Ag1 C11 Ag3 88.21(15) . 2_755
Ag1 C11 Ag5 93.94(16) . .
Ag3 C11 Ag5 141.05(17) 2_755 .
C12 C11 Ag1 176.1(4) . .
C12 C11 Ag3 89.7(3) . 2_755
C12 C11 Ag5 85.6(3) . .
C11 C12 C13 179.3(5) . .
C14 C13 C12 177.1(5) . .
C13 C14 C15 176.6(5) . .
C14 C15 H15 107.4 . .
C14 C15 C16 111.8(5) . .
C14 C15 C20 111.1(5) . .
C16 C15 H15 107.4 . .
C16 C15 C20 111.4(5) . .
C20 C15 H15 107.4 . .
C15 C16 H16A 109.7 . .
C15 C16 H16B 109.7 . .
C15 C16 C17 109.9(5) . .
H16A C16 H16B 108.2 . .
C17 C16 H16A 109.7 . .
C17 C16 H16B 109.7 . .
C16 C17 H17A 109.1 . .
C16 C17 H17B 109.1 . .
H17A C17 H17B 107.9 . .
C18 C17 C16 112.3(6) . .
C18 C17 H17A 109.1 . .
C18 C17 H17B 109.1 . .
C17 C18 H18A 109.2 . .
C17 C18 H18B 109.2 . .
C17 C18 C19 112.1(6) . .
H18A C18 H18B 107.9 . .
C19 C18 H18A 109.2 . .
C19 C18 H18B 109.2 . .
C18 C19 H19A 109.0 . .
C18 C19 H19B 109.0 . .
C18 C19 C20 112.7(6) . .
H19A C19 H19B 107.8 . .
C20 C19 H19A 109.0 . .
C20 C19 H19B 109.0 . .
C15 C20 C19 109.6(5) . .
C15 C20 H20A 109.8 . .
C15 C20 H20B 109.8 . .
C19 C20 H20A 109.8 . .
C19 C20 H20B 109.8 . .
H20A C20 H20B 108.2 . .
Ag2 C21 Ag3 87.71(15) . .
Ag2 C21 Ag5 98.15(17) . .
Ag3 C21 Ag5 136.67(17) . .
C22 C21 Ag2 176.7(4) . .
C22 C21 Ag3 90.1(3) . .
C22 C21 Ag5 81.8(3) . .
C21 C22 C23 176.7(5) . .
C24 C23 C22 177.8(5) . .
C23 C24 C25 178.4(5) . .
C24 C25 H25 107.2 . .
C24 C25 C26 110.6(4) . .
C24 C25 C30 112.1(5) . .
C26 C25 H25 107.2 . .
C30 C25 H25 107.2 . .
C30 C25 C26 112.3(5) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 108.1 . .
C27 C26 C25 110.6(5) . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
C26 C27 H27A 109.2 . .
C26 C27 H27B 109.2 . .
H27A C27 H27B 107.9 . .
C28 C27 C26 111.9(6) . .
C28 C27 H27A 109.2 . .
C28 C27 H27B 109.2 . .
C27 C28 H28A 109.4 . .
C27 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
C29 C28 C27 111.2(6) . .
C29 C28 H28A 109.4 . .
C29 C28 H28B 109.4 . .
C28 C29 H29A 109.4 . .
C28 C29 H29B 109.4 . .
C28 C29 C30 111.4(5) . .
H29A C29 H29B 108.0 . .
C30 C29 H29A 109.4 . .
C30 C29 H29B 109.4 . .
C25 C30 C29 110.4(5) . .
C25 C30 H30A 109.6 . .
C25 C30 H30B 109.6 . .
C29 C30 H30A 109.6 . .
C29 C30 H30B 109.6 . .
H30A C30 H30B 108.1 . .
C32 C31 P1 117.9(4) . .
C36 C31 P1 123.1(4) . .
C36 C31 C32 119.0(4) . .
C31 C32 H32 119.7 . .
C33 C32 C31 120.7(5) . .
C33 C32 H32 119.7 . .
C32 C33 H33 120.2 . .
C34 C33 C32 119.6(6) . .
C34 C33 H33 120.2 . .
C33 C34 H34 120.1 . .
C35 C34 C33 119.8(5) . .
C35 C34 H34 120.1 . .
C34 C35 H35 119.3 . .
C34 C35 C36 121.3(5) . .
C36 C35 H35 119.3 . .
C31 C36 C35 119.6(5) . .
C31 C36 H36 120.2 . .
C35 C36 H36 120.2 . .
C38 C37 P1 123.6(4) . .
C42 C37 P1 117.9(4) . .
C42 C37 C38 118.5(5) . .
C37 C38 H38 120.0 . .
C37 C38 C39 120.0(5) . .
C39 C38 H38 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 C38 120.1(5) . .
C40 C39 H39 120.0 . .
C39 C40 H40 120.1 . .
C41 C40 C39 119.8(5) . .
C41 C40 H40 120.1 . .
C40 C41 H41 119.6 . .
C40 C41 C42 120.8(5) . .
C42 C41 H41 119.6 . .
C37 C42 C41 120.8(5) . .
C37 C42 H42 119.6 . .
C41 C42 H42 119.6 . .
C44 C43 P1 119.1(3) . .
C48 C43 P1 123.3(3) . .
C48 C43 C44 117.6(4) . .
C43 C44 H44 119.6 . .
C45 C44 C43 120.7(4) . .
C45 C44 H44 119.6 . .
C44 C45 H45 119.6 . .
C46 C45 C44 120.8(5) . .
C46 C45 H45 119.6 . .
C45 C46 H46 120.1 . .
C45 C46 C47 119.8(5) . .
C47 C46 H46 120.1 . .
C46 C47 H47 120.3 . .
C48 C47 C46 119.5(5) . .
C48 C47 H47 120.3 . .
C43 C48 H48 119.2 . .
C47 C48 C43 121.6(4) . .
C47 C48 H48 119.2 . .
C50 C49 P2 118.4(3) . .
C50 C49 C54 119.5(4) . .
C54 C49 P2 122.1(3) . .
C49 C50 H50 119.9 . .
C51 C50 C49 120.2(4) . .
C51 C50 H50 119.9 . .
C50 C51 H51 120.0 . .
C50 C51 C52 120.0(5) . .
C52 C51 H51 120.0 . .
C51 C52 H52 120.2 . .
C53 C52 C51 119.6(5) . .
C53 C52 H52 120.2 . .
C52 C53 H53 119.6 . .
C52 C53 C54 120.8(5) . .
C54 C53 H53 119.6 . .
C49 C54 H54 120.1 . .
C53 C54 C49 119.9(4) . .
C53 C54 H54 120.1 . .
C56 C55 P2 122.1(3) . .
C60 C55 P2 118.9(3) . .
C60 C55 C56 119.0(4) . .
C55 C56 H56 119.7 . .
C57 C56 C55 120.5(4) . .
C57 C56 H56 119.7 . .
C56 C57 H57 119.9 . .
C58 C57 C56 120.1(5) . .
C58 C57 H57 119.9 . .
C57 C58 H58 120.3 . .
C59 C58 C57 119.4(5) . .
C59 C58 H58 120.3 . .
C58 C59 H59 119.5 . .
C58 C59 C60 121.0(5) . .
C60 C59 H59 119.5 . .
C55 C60 C59 120.0(5) . .
C55 C60 H60 120.0 . .
C59 C60 H60 120.0 . .
C62 C61 P2 118.5(3) . .
C66 C61 P2 123.0(3) . .
C66 C61 C62 118.5(4) . .
C61 C62 H62 120.0 . .
C63 C62 C61 120.0(4) . .
C63 C62 H62 120.0 . .
C62 C63 H63 119.5 . .
C64 C63 C62 121.0(5) . .
C64 C63 H63 119.5 . .
C63 C64 H64 120.0 . .
C63 C64 C65 119.9(5) . .
C65 C64 H64 120.0 . .
C64 C65 H65 120.4 . .
C64 C65 C66 119.2(5) . .
C66 C65 H65 120.4 . .
C61 C66 C65 121.3(5) . .
C61 C66 H66 119.3 . .
C65 C66 H66 119.3 . .
C68 C67 P3 118.5(3) . .
C68 C67 C72 117.9(4) . .
C72 C67 P3 123.6(3) . .
C67 C68 H68 119.5 . .
C69 C68 C67 121.0(5) . .
C69 C68 H68 119.5 . .
C68 C69 H69 119.6 . .
C68 C69 C70 120.9(5) . .
C70 C69 H69 119.6 . .
C69 C70 H70 120.4 . .
C69 C70 C71 119.2(4) . .
C71 C70 H70 120.4 . .
C70 C71 H71 120.0 . .
C70 C71 C72 120.0(5) . .
C72 C71 H71 120.0 . .
C67 C72 H72 119.5 . .
C71 C72 C67 121.0(4) . .
C71 C72 H72 119.5 . .
C74 C73 P3 122.7(3) . .
C78 C73 P3 118.6(3) . .
C78 C73 C74 118.7(4) . .
C73 C74 H74 119.8 . .
C75 C74 C73 120.3(4) . .
C75 C74 H74 119.8 . .
C74 C75 H75 119.6 . .
C74 C75 C76 120.8(4) . .
C76 C75 H75 119.6 . .
C75 C76 H76 120.3 . .
C77 C76 C75 119.4(4) . .
C77 C76 H76 120.3 . .
C76 C77 H77 119.9 . .
C76 C77 C78 120.3(4) . .
C78 C77 H77 119.9 . .
C73 C78 H78 119.7 . .
C77 C78 C73 120.5(4) . .
C77 C78 H78 119.7 . .
C80 C79 P3 118.0(3) . .
C80 C79 C84 118.0(4) . .
C84 C79 P3 123.9(3) . .
C79 C80 H80 119.4 . .
C81 C80 C79 121.2(5) . .
C81 C80 H80 119.4 . .
C80 C81 H81 119.8 . .
C80 C81 C82 120.5(5) . .
C82 C81 H81 119.8 . .
C81 C82 H82 120.3 . .
C81 C82 C83 119.3(5) . .
C83 C82 H82 120.3 . .
C82 C83 H83 119.9 . .
C84 C83 C82 120.2(5) . .
C84 C83 H83 119.9 . .
C79 C84 H84 119.6 . .
C83 C84 C79 120.8(5) . .
C83 C84 H84 119.6 . .
C86 C85 P4 117.7(3) . .
C86 C85 C90 119.1(4) . .
C90 C85 P4 123.2(4) . .
C85 C86 H86 119.5 . .
C87 C86 C85 121.0(5) . .
C87 C86 H86 119.5 . .
C86 C87 H87 120.4 . .
C86 C87 C88 119.2(5) . .
C88 C87 H87 120.4 . .
C87 C88 H88 119.9 . .
C89 C88 C87 120.3(5) . .
C89 C88 H88 119.9 . .
C88 C89 H89 119.6 . .
C90 C89 C88 120.7(5) . .
C90 C89 H89 119.6 . .
C85 C90 H90 120.2 . .
C89 C90 C85 119.6(5) . .
C89 C90 H90 120.2 . .
C92 C91 P4 123.7(4) . .
C92 C91 C96 118.3(5) . .
C96 C91 P4 117.9(4) . .
C91 C92 H92 119.7 . .
C93 C92 C91 120.5(5) . .
C93 C92 H92 119.7 . .
C92 C93 H93 119.6 . .
C94 C93 C92 120.8(6) . .
C94 C93 H93 119.6 . .
C93 C94 H94 120.3 . .
C93 C94 C95 119.4(5) . .
C95 C94 H94 120.3 . .
C94 C95 H95 119.8 . .
C96 C95 C94 120.4(5) . .
C96 C95 H95 119.8 . .
C91 C96 H96 119.7 . .
C95 C96 C91 120.5(5) . .
C95 C96 H96 119.7 . .
C98 C97 P4 118.3(3) . .
C102 C97 P4 122.7(4) . .
C102 C97 C98 119.0(4) . .
C97 C98 H98 119.8 . .
C99 C98 C97 120.5(4) . .
C99 C98 H98 119.8 . .
C98 C99 H99 120.1 . .
C100 C99 C98 119.8(5) . .
C100 C99 H99 120.1 . .
C99 C100 H100 119.9 . .
C99 C100 C101 120.2(5) . .
C101 C100 H100 119.9 . .
C100 C101 H101 119.9 . .
C102 C101 C100 120.1(5) . .
C102 C101 H101 119.9 . .
C97 C102 H102 119.8 . .
C101 C102 C97 120.4(5) . .
C101 C102 H102 119.8 . .
H10C C103 H10D 109.5 . .
H10C C103 H10E 109.5 . .
H10D C103 H10E 109.5 . .
O4 C103 H10C 109.5 . .
O4 C103 H10D 109.5 . .
O4 C103 H10E 109.5 . .
H10F C104 H10G 109.5 . .
H10F C104 H10H 109.5 . .
H10G C104 H10H 109.5 . .
O5 C104 H10F 109.5 . .
O5 C104 H10G 109.5 . .
O5 C104 H10H 109.5 . .
H10I C105 H10J 109.5 . .
H10I C105 H10K 109.5 . .
H10J C105 H10K 109.5 . .
O6 C105 H10I 109.5 . .
O6 C105 H10J 109.5 . .
O6 C105 H10K 109.5 . .
H10L C106 H10M 109.5 . .
H10L C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
O7 C106 H10L 109.5 . .
O7 C106 H10M 109.5 . .
O7 C106 H10N 109.5 . .
C103 O4 H4 109.5 . .
C104 O5 H5A 109.5 . .
C105 O6 H6 109.5 . .
C106 O7 H7 109.5 . .
H1WA O1W H1WB 104.5 . .
H2WA O2W H2WB 104.5 . .
O2 N1 O1 113.4(11) . .
O3 N1 O1 114.6(11) . .
O3 N1 O2 126.8(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 N1 1.381(13) .
Ag1 Ag1 3.0675(6) 2_755
Ag1 Ag2 3.1375(5) .
Ag1 Ag3 3.1613(5) .
Ag1 Ag3 3.2087(5) 2_755
Ag1 Ag4 3.3652(5) .
Ag1 C1 2.078(4) .
Ag1 C11 2.071(5) .
Ag2 Ag1 3.1375(5) 2_755
Ag2 Ag3 3.2114(4) 2_755
Ag2 Ag3 3.2115(4) .
Ag2 C21 2.075(4) .
Ag2 C21 2.075(4) 2_755
Ag3 Ag1 3.2087(5) 2_755
Ag3 P2 2.4913(11) .
Ag3 C1 2.505(4) .
Ag3 C11 2.516(4) 2_755
Ag3 C21 2.536(4) .
Ag4 Ag1 3.3651(5) 2_755
Ag4 P1 2.5027(11) 2_755
Ag4 P1 2.5028(11) .
Ag4 C1 2.556(4) 2_755
Ag4 C1 2.556(4) .
Ag5 P3 2.5221(11) .
Ag5 P4 2.4994(11) .
Ag5 C11 2.612(4) .
Ag5 C21 2.637(4) .
P1 C31 1.825(5) .
P1 C37 1.824(5) .
P1 C43 1.811(5) .
P2 C49 1.828(4) .
P2 C55 1.821(4) .
P2 C61 1.820(4) .
P3 C67 1.820(4) .
P3 C73 1.810(4) .
P3 C79 1.820(4) .
P4 C85 1.828(5) .
P4 C91 1.826(5) .
P4 C97 1.824(5) .
C1 C2 1.215(6) .
C2 C3 1.378(7) .
C3 C4 1.199(7) .
C4 C5 1.470(7) .
C5 H5 1.0000 .
C5 C6 1.514(8) .
C5 C10 1.538(8) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.543(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.488(10) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C9 1.507(10) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.531(8) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 Ag3 2.516(4) 2_755
C11 C12 1.229(6) .
C12 C13 1.370(6) .
C13 C14 1.201(7) .
C14 C15 1.463(7) .
C15 H15 1.0000 .
C15 C16 1.520(8) .
C15 C20 1.530(9) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C16 C17 1.520(8) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C17 C18 1.486(11) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C18 C19 1.503(11) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C19 C20 1.531(8) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.220(6) .
C22 C23 1.380(6) .
C23 C24 1.193(7) .
C24 C25 1.467(7) .
C25 H25 1.0000 .
C25 C26 1.542(8) .
C25 C30 1.510(8) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C26 C27 1.524(8) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C27 C28 1.502(12) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C28 C29 1.502(11) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C29 C30 1.530(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.399(7) .
C31 C36 1.383(7) .
C32 H32 0.9500 .
C32 C33 1.395(7) .
C33 H33 0.9500 .
C33 C34 1.377(8) .
C34 H34 0.9500 .
C34 C35 1.372(9) .
C35 H35 0.9500 .
C35 C36 1.390(7) .
C36 H36 0.9500 .
C37 C38 1.390(6) .
C37 C42 1.378(7) .
C38 H38 0.9500 .
C38 C39 1.397(7) .
C39 H39 0.9500 .
C39 C40 1.373(8) .
C40 H40 0.9500 .
C40 C41 1.358(8) .
C41 H41 0.9500 .
C41 C42 1.380(8) .
C42 H42 0.9500 .
C43 C44 1.397(6) .
C43 C48 1.384(6) .
C44 H44 0.9500 .
C44 C45 1.366(7) .
C45 H45 0.9500 .
C45 C46 1.366(7) .
C46 H46 0.9500 .
C46 C47 1.381(7) .
C47 H47 0.9500 .
C47 C48 1.376(7) .
C48 H48 0.9500 .
C49 C50 1.387(7) .
C49 C54 1.390(6) .
C50 H50 0.9500 .
C50 C51 1.386(7) .
C51 H51 0.9500 .
C51 C52 1.393(8) .
C52 H52 0.9500 .
C52 C53 1.368(8) .
C53 H53 0.9500 .
C53 C54 1.387(7) .
C54 H54 0.9500 .
C55 C56 1.390(6) .
C55 C60 1.384(7) .
C56 H56 0.9500 .
C56 C57 1.389(7) .
C57 H57 0.9500 .
C57 C58 1.376(8) .
C58 H58 0.9500 .
C58 C59 1.377(8) .
C59 H59 0.9500 .
C59 C60 1.385(7) .
C60 H60 0.9500 .
C61 C62 1.395(6) .
C61 C66 1.380(6) .
C62 H62 0.9500 .
C62 C63 1.375(7) .
C63 H63 0.9500 .
C63 C64 1.366(8) .
C64 H64 0.9500 .
C64 C65 1.383(8) .
C65 H65 0.9500 .
C65 C66 1.385(7) .
C66 H66 0.9500 .
C67 C68 1.387(6) .
C67 C72 1.388(6) .
C68 H68 0.9500 .
C68 C69 1.369(7) .
C69 H69 0.9500 .
C69 C70 1.375(7) .
C70 H70 0.9500 .
C70 C71 1.378(7) .
C71 H71 0.9500 .
C71 C72 1.387(6) .
C72 H72 0.9500 .
C73 C74 1.393(6) .
C73 C78 1.391(6) .
C74 H74 0.9500 .
C74 C75 1.372(7) .
C75 H75 0.9500 .
C75 C76 1.381(7) .
C76 H76 0.9500 .
C76 C77 1.378(7) .
C77 H77 0.9500 .
C77 C78 1.381(6) .
C78 H78 0.9500 .
C79 C80 1.385(7) .
C79 C84 1.401(6) .
C80 H80 0.9500 .
C80 C81 1.377(7) .
C81 H81 0.9500 .
C81 C82 1.378(8) .
C82 H82 0.9500 .
C82 C83 1.390(8) .
C83 H83 0.9500 .
C83 C84 1.376(7) .
C84 H84 0.9500 .
C85 C86 1.387(7) .
C85 C90 1.404(7) .
C86 H86 0.9500 .
C86 C87 1.382(7) .
C87 H87 0.9500 .
C87 C88 1.389(8) .
C88 H88 0.9500 .
C88 C89 1.379(8) .
C89 H89 0.9500 .
C89 C90 1.376(8) .
C90 H90 0.9500 .
C91 C92 1.388(7) .
C91 C96 1.393(7) .
C92 H92 0.9500 .
C92 C93 1.382(8) .
C93 H93 0.9500 .
C93 C94 1.366(9) .
C94 H94 0.9500 .
C94 C95 1.382(9) .
C95 H95 0.9500 .
C95 C96 1.379(8) .
C96 H96 0.9500 .
C97 C98 1.390(7) .
C97 C102 1.382(6) .
C98 H98 0.9500 .
C98 C99 1.378(7) .
C99 H99 0.9500 .
C99 C100 1.373(7) .
C100 H100 0.9500 .
C100 C101 1.377(8) .
C101 H101 0.9500 .
C101 C102 1.375(7) .
C102 H102 0.9500 .
C103 H10C 0.9800 .
C103 H10D 0.9800 .
C103 H10E 0.9800 .
C103 O4 1.407(12) .
C104 H10F 0.9800 .
C104 H10G 0.9800 .
C104 H10H 0.9800 .
C104 O5 1.480(13) .
C105 H10I 0.9800 .
C105 H10J 0.9800 .
C105 H10K 0.9800 .
C105 O6 1.363(12) .
C106 H10L 0.9800 .
C106 H10M 0.9800 .
C106 H10N 0.9800 .
C106 O7 1.383(13) .
O4 H4 0.8400 .
O5 H5A 0.8400 .
O6 H6 0.8400 .
O7 H7 0.8400 .
O1W H1WA 0.8702 .
O1W H1WB 0.8695 .
O2W H2WA 0.8696 .
O2W H2WB 0.8699 .
O2 N1 1.326(11) .
O3 N1 1.289(11) .
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
Ag3 P2 C49 C50 -37.8(4)
Ag3 P2 C49 C54 141.7(3)
Ag3 P2 C55 C56 141.6(3)
Ag3 P2 C55 C60 -36.3(4)
Ag3 P2 C61 C62 -37.8(4)
Ag3 P2 C61 C66 142.0(4)
Ag4 P1 C31 C32 -66.9(4)
Ag4 P1 C31 C36 111.8(4)
Ag4 P1 C37 C38 149.0(3)
Ag4 P1 C37 C42 -30.9(4)
Ag4 P1 C43 C44 -28.1(4)
Ag4 P1 C43 C48 152.6(3)
Ag5 P3 C67 C68 39.0(4)
Ag5 P3 C67 C72 -143.1(3)
Ag5 P3 C73 C74 -155.6(3)
Ag5 P3 C73 C78 27.2(4)
Ag5 P3 C79 C80 50.7(4)
Ag5 P3 C79 C84 -125.7(4)
Ag5 P4 C85 C86 -42.2(4)
Ag5 P4 C85 C90 139.4(4)
Ag5 P4 C91 C92 151.8(4)
Ag5 P4 C91 C96 -26.5(4)
Ag5 P4 C97 C98 -24.6(5)
Ag5 P4 C97 C102 155.6(4)
P1 C31 C32 C33 179.0(4)
P1 C31 C36 C35 -179.8(4)
P1 C37 C38 C39 178.4(4)
P1 C37 C42 C41 -178.8(4)
P1 C43 C44 C45 -177.8(4)
P1 C43 C48 C47 179.5(4)
P2 C49 C50 C51 -178.9(4)
P2 C49 C54 C53 -179.6(4)
P2 C55 C56 C57 -178.1(4)
P2 C55 C60 C59 179.5(4)
P2 C61 C62 C63 179.6(4)
P2 C61 C66 C65 -178.8(4)
P3 C67 C68 C69 177.2(4)
P3 C67 C72 C71 -178.0(3)
P3 C73 C74 C75 -177.6(4)
P3 C73 C78 C77 178.1(4)
P3 C79 C80 C81 -176.6(4)
P3 C79 C84 C83 175.4(4)
P4 C85 C86 C87 -177.9(4)
P4 C85 C90 C89 177.9(4)
P4 C91 C92 C93 -179.3(4)
P4 C91 C96 C95 179.2(4)
P4 C97 C98 C99 -177.6(4)
P4 C97 C102 C101 177.7(4)
C4 C5 C6 C7 180.0(5)
C4 C5 C10 C9 179.9(5)
C5 C6 C7 C8 56.6(8)
C6 C5 C10 C9 55.9(7)
C6 C7 C8 C9 -56.7(9)
C7 C8 C9 C10 57.3(9)
C8 C9 C10 C5 -56.0(8)
C10 C5 C6 C7 -56.3(7)
C14 C15 C16 C17 177.7(5)
C14 C15 C20 C19 -178.7(5)
C15 C16 C17 C18 56.2(7)
C16 C15 C20 C19 55.9(7)
C16 C17 C18 C19 -54.3(8)
C17 C18 C19 C20 53.2(9)
C18 C19 C20 C15 -53.5(8)
C20 C15 C16 C17 -57.3(6)
C24 C25 C26 C27 179.2(5)
C24 C25 C30 C29 -179.5(5)
C25 C26 C27 C28 -53.7(7)
C26 C25 C30 C29 -54.2(6)
C26 C27 C28 C29 56.6(8)
C27 C28 C29 C30 -57.5(8)
C28 C29 C30 C25 56.3(7)
C30 C25 C26 C27 53.1(7)
C31 P1 C37 C38 -88.0(4)
C31 P1 C37 C42 92.1(4)
C31 P1 C43 C44 -156.2(4)
C31 P1 C43 C48 24.5(4)
C31 C32 C33 C34 0.4(8)
C32 C31 C36 C35 -1.1(7)
C32 C33 C34 C35 -0.1(9)
C33 C34 C35 C36 -0.8(9)
C34 C35 C36 C31 1.4(8)
C36 C31 C32 C33 0.2(7)
C37 P1 C31 C32 172.8(4)
C37 P1 C31 C36 -8.5(4)
C37 P1 C43 C44 95.8(4)
C37 P1 C43 C48 -83.6(4)
C37 C38 C39 C40 0.9(7)
C38 C37 C42 C41 1.3(8)
C38 C39 C40 C41 0.3(8)
C39 C40 C41 C42 -0.7(9)
C40 C41 C42 C37 -0.1(9)
C42 C37 C38 C39 -1.7(7)
C43 P1 C31 C32 64.1(4)
C43 P1 C31 C36 -117.2(4)
C43 P1 C37 C38 19.6(4)
C43 P1 C37 C42 -160.3(4)
C43 C44 C45 C46 -2.2(8)
C44 C43 C48 C47 0.2(7)
C44 C45 C46 C47 1.1(8)
C45 C46 C47 C48 0.7(8)
C46 C47 C48 C43 -1.3(8)
C48 C43 C44 C45 1.6(7)
C49 P2 C55 C56 -91.0(4)
C49 P2 C55 C60 91.1(4)
C49 P2 C61 C62 -163.8(4)
C49 P2 C61 C66 16.0(4)
C49 C50 C51 C52 -2.5(8)
C50 C49 C54 C53 -0.1(7)
C50 C51 C52 C53 1.9(9)
C51 C52 C53 C54 -0.4(8)
C52 C53 C54 C49 -0.5(7)
C54 C49 C50 C51 1.6(7)
C55 P2 C49 C50 -164.9(4)
C55 P2 C49 C54 14.6(4)
C55 P2 C61 C62 88.0(4)
C55 P2 C61 C66 -92.3(4)
C55 C56 C57 C58 -0.4(7)
C56 C55 C60 C59 1.6(7)
C56 C57 C58 C59 -0.3(8)
C57 C58 C59 C60 1.7(9)
C58 C59 C60 C55 -2.3(8)
C60 C55 C56 C57 -0.3(7)
C61 P2 C49 C50 87.1(4)
C61 P2 C49 C54 -93.4(4)
C61 P2 C55 C56 16.6(4)
C61 P2 C55 C60 -161.3(4)
C61 C62 C63 C64 -0.8(8)
C62 C61 C66 C65 1.0(7)
C62 C63 C64 C65 1.0(8)
C63 C64 C65 C66 -0.3(8)
C64 C65 C66 C61 -0.7(8)
C66 C61 C62 C63 -0.2(7)
C67 P3 C73 C74 73.2(4)
C67 P3 C73 C78 -104.1(3)
C67 P3 C79 C80 176.7(4)
C67 P3 C79 C84 0.2(4)
C67 C68 C69 C70 1.9(8)
C68 C67 C72 C71 -0.1(6)
C68 C69 C70 C71 -2.1(8)
C69 C70 C71 C72 1.1(7)
C70 C71 C72 C67 -0.1(7)
C72 C67 C68 C69 -0.8(7)
C73 P3 C67 C68 169.7(4)
C73 P3 C67 C72 -12.4(4)
C73 P3 C79 C80 -74.8(4)
C73 P3 C79 C84 108.8(4)
C73 C74 C75 C76 -0.4(8)
C74 C73 C78 C77 0.7(6)
C74 C75 C76 C77 0.8(8)
C75 C76 C77 C78 -0.4(8)
C76 C77 C78 C73 -0.3(7)
C78 C73 C74 C75 -0.4(7)
C79 P3 C67 C68 -82.0(4)
C79 P3 C67 C72 95.9(4)
C79 P3 C73 C74 -34.3(4)
C79 P3 C73 C78 148.4(3)
C79 C80 C81 C82 0.9(8)
C80 C79 C84 C83 -1.1(7)
C80 C81 C82 C83 -0.9(8)
C81 C82 C83 C84 -0.1(8)
C82 C83 C84 C79 1.1(7)
C84 C79 C80 C81 0.1(7)
C85 P4 C91 C92 -86.9(4)
C85 P4 C91 C96 94.8(4)
C85 P4 C97 C98 -150.6(4)
C85 P4 C97 C102 29.6(5)
C85 C86 C87 C88 -0.2(7)
C86 C85 C90 C89 -0.5(7)
C86 C87 C88 C89 -0.5(8)
C87 C88 C89 C90 0.6(8)
C88 C89 C90 C85 -0.1(8)
C90 C85 C86 C87 0.6(7)
C91 P4 C85 C86 -162.5(4)
C91 P4 C85 C90 19.0(4)
C91 P4 C97 C98 100.7(4)
C91 P4 C97 C102 -79.0(4)
C91 C92 C93 C94 0.0(8)
C92 C91 C96 C95 0.8(7)
C92 C93 C94 C95 1.3(8)
C93 C94 C95 C96 -1.5(8)
C94 C95 C96 C91 0.5(8)
C96 C91 C92 C93 -1.0(7)
C97 P4 C85 C86 89.7(4)
C97 P4 C85 C90 -88.8(4)
C97 P4 C91 C92 19.9(5)
C97 P4 C91 C96 -158.4(4)
C97 C98 C99 C100 -1.3(8)
C98 C97 C102 C101 -2.0(8)
C98 C99 C100 C101 0.2(8)
C99 C100 C101 C102 -0.1(9)
C100 C101 C102 C97 1.0(8)
C102 C97 C98 C99 2.1(7)
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 0.134 0.466 0.303 17.0 4.5
2 0.134 0.534 0.803 17.0 4.5
3 0.366 0.034 0.697 17.0 4.5
4 0.366 0.966 0.197 17.0 4.5
5 0.634 0.034 0.803 17.0 4.5
6 0.634 0.966 0.303 17.0 4.5
7 0.866 0.466 0.197 17.0 4.5
8 0.866 0.534 0.697 17.0 4.5
