#------------------------------------------------------------------------------
#$Date: 2025-04-05 06:20:34 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298936 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/75/7717565.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_7717565
loop_
_publ_author_name
'Jin, Jun-Ling'
'Zhang, Sheng-Fa'
'Fang, Jun-Jie'
'Shen, Yang-Lin'
'Xie, Yun-Peng'
'Lu, Xing'
_publ_section_title
;
 Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by
 phenylacetylene stabilizers.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1270
_journal_page_last               1275
_journal_paper_doi               10.1039/d4dt02753a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C82 H186 Ag21 Cu4 F24 N4 O4 P4 S20'
_chemical_formula_weight         5032.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-11-18 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                111.478(2)
_cell_angle_beta                 110.109(2)
_cell_angle_gamma                98.581(2)
_cell_formula_units_Z            1
_cell_length_a                   14.7623(9)
_cell_length_b                   17.4036(12)
_cell_length_c                   17.9645(11)
_cell_measurement_reflns_used    8400
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.4743
_cell_measurement_theta_min      2.9281
_cell_volume                     3828.0(4)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Apex3 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL XT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0764
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31005
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        22.722
_diffrn_reflns_theta_max         22.722
_diffrn_reflns_theta_min         2.791
_exptl_absorpt_coefficient_mu    3.539
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.183
_exptl_crystal_description       strip
_exptl_crystal_F_000             2437
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.760
_refine_diff_density_min         -2.327
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         10256
_refine_ls_number_restraints     59
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0801P)²+71.0018P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1562
_refine_ls_wR_factor_ref         0.1809
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6808
_reflns_number_total             10256
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02753a2.cif
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7717564--7717565.cif.
;
_cod_database_code               7717565
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1943(11) 0.7389(10) 0.3226(10) 0.035(4) Uani 1 1 d . . . . .
C2 C 0.1920(15) 0.7327(15) 0.2366(14) 0.074(7) Uani 1 1 d . . . . .
H2A H 0.1487 0.6747 0.1888 0.111 Uiso 1 1 calc R U . . .
H2B H 0.2611 0.7425 0.2409 0.111 Uiso 1 1 calc R U . . .
H2C H 0.1646 0.7767 0.2239 0.111 Uiso 1 1 calc R U . . .
C3 C 0.2416(18) 0.8329(13) 0.3947(15) 0.090(8) Uani 1 1 d . . . . .
H3A H 0.3088 0.8574 0.3994 0.135 Uiso 1 1 calc R U . . .
H3B H 0.2487 0.8346 0.4516 0.135 Uiso 1 1 calc R U . . .
H3C H 0.1978 0.8671 0.3794 0.135 Uiso 1 1 calc R U . . .
C4 C 0.0914(13) 0.7044(14) 0.3133(15) 0.071(7) Uani 1 1 d . . . . .
H4A H 0.0500 0.7399 0.2973 0.106 Uiso 1 1 calc R U . . .
H4B H 0.0958 0.7063 0.3696 0.106 Uiso 1 1 calc R U . . .
H4C H 0.0601 0.6442 0.2667 0.106 Uiso 1 1 calc R U . . .
C5 C 0.5558(14) 0.7858(11) 0.2552(11) 0.047(4) Uani 1 1 d . . . . .
C6 C 0.5393(16) 0.8740(13) 0.2940(13) 0.067(6) Uani 1 1 d . . . . .
H6A H 0.5339 0.9003 0.2535 0.101 Uiso 1 1 calc R U . . .
H6B H 0.5969 0.9124 0.3516 0.101 Uiso 1 1 calc R U . . .
H6C H 0.4765 0.8658 0.3017 0.101 Uiso 1 1 calc R U . . .
C7 C 0.6467(16) 0.7912(14) 0.2364(14) 0.072(6) Uani 1 1 d . . . . .
H7A H 0.6523 0.7329 0.2107 0.108 Uiso 1 1 calc R U . . .
H7B H 0.7078 0.8286 0.2917 0.108 Uiso 1 1 calc R U . . .
H7C H 0.6395 0.8159 0.1943 0.108 Uiso 1 1 calc R U . . .
C8 C 0.4609(14) 0.7213(12) 0.1721(10) 0.057(5) Uani 1 1 d . . . . .
H8A H 0.4525 0.7381 0.1243 0.085 Uiso 1 1 calc R U . . .
H8B H 0.4013 0.7214 0.1847 0.085 Uiso 1 1 calc R U . . .
H8C H 0.4676 0.6629 0.1539 0.085 Uiso 1 1 calc R U . . .
C9 C 0.1757(16) 0.4338(14) 0.0114(13) 0.067(3) Uani 1 1 d . . . . .
C10 C 0.2177(16) 0.5259(13) 0.0312(13) 0.067(3) Uani 1 1 d . . . . .
H10A H 0.1907 0.5322 -0.0236 0.100 Uiso 1 1 calc R U . . .
H10B H 0.2920 0.5423 0.0555 0.100 Uiso 1 1 calc R U . . .
H10C H 0.1982 0.5637 0.0746 0.100 Uiso 1 1 calc R U . . .
C11 C 0.2027(16) 0.3698(14) -0.0544(13) 0.067(3) Uani 1 1 d . . . . .
H11A H 0.1676 0.3104 -0.0686 0.100 Uiso 1 1 calc R U . . .
H11B H 0.2763 0.3805 -0.0286 0.100 Uiso 1 1 calc R U . . .
H11C H 0.1816 0.3772 -0.1088 0.100 Uiso 1 1 calc R U . . .
C12 C 0.0604(15) 0.4117(14) -0.0196(13) 0.067(3) Uani 1 1 d . . . . .
H12A H 0.0309 0.4257 -0.0689 0.100 Uiso 1 1 calc R U . . .
H12B H 0.0461 0.4458 0.0297 0.100 Uiso 1 1 calc R U . . .
H12C H 0.0306 0.3496 -0.0392 0.100 Uiso 1 1 calc R U . . .
C13 C 0.0209(11) 0.3980(10) 0.2542(10) 0.034(4) Uani 1 1 d . . . . .
C14 C -0.0076(11) 0.4235(12) 0.1785(11) 0.046(5) Uani 1 1 d . . . . .
H14A H -0.0080 0.3780 0.1263 0.070 Uiso 1 1 calc R U . . .
H14B H 0.0422 0.4786 0.1967 0.070 Uiso 1 1 calc R U . . .
H14C H -0.0753 0.4304 0.1640 0.070 Uiso 1 1 calc R U . . .
C15 C 0.0286(13) 0.4682(11) 0.3364(11) 0.046(4) Uani 1 1 d . . . . .
H15A H 0.0798 0.5219 0.3532 0.070 Uiso 1 1 calc R U . . .
H15B H 0.0484 0.4511 0.3844 0.070 Uiso 1 1 calc R U . . .
H15C H -0.0374 0.4781 0.3257 0.070 Uiso 1 1 calc R U . . .
C16 C -0.0568(12) 0.3129(11) 0.2279(12) 0.048(5) Uani 1 1 d . . . . .
H16A H -0.1247 0.3196 0.2119 0.072 Uiso 1 1 calc R U . . .
H16B H -0.0391 0.2987 0.2780 0.072 Uiso 1 1 calc R U . . .
H16C H -0.0564 0.2660 0.1771 0.072 Uiso 1 1 calc R U . . .
C17 C 0.1114(11) 0.2884(10) 0.5274(11) 0.034(4) Uani 1 1 d . . . . .
C18 C 0.0811(14) 0.3703(12) 0.5415(14) 0.062(6) Uani 1 1 d . . . . .
H18A H 0.0649 0.3788 0.4880 0.093 Uiso 1 1 calc R U . . .
H18B H 0.1374 0.4204 0.5919 0.093 Uiso 1 1 calc R U . . .
H18C H 0.0213 0.3646 0.5538 0.093 Uiso 1 1 calc R U . . .
C19 C 0.0256(13) 0.2117(11) 0.4450(13) 0.056(5) Uani 1 1 d . . . . .
H19A H 0.0040 0.2276 0.3961 0.084 Uiso 1 1 calc R U . . .
H19B H -0.0319 0.1968 0.4580 0.084 Uiso 1 1 calc R U . . .
H19C H 0.0499 0.1614 0.4279 0.084 Uiso 1 1 calc R U . . .
C20 C 0.1361(14) 0.2738(13) 0.6081(13) 0.062(6) Uani 1 1 d . . . . .
H20A H 0.0800 0.2760 0.6254 0.093 Uiso 1 1 calc R U . . .
H20B H 0.1985 0.3192 0.6568 0.093 Uiso 1 1 calc R U . . .
H20C H 0.1459 0.2167 0.5951 0.093 Uiso 1 1 calc R U . . .
C21 C 0.4169(11) 0.0909(10) 0.3826(9) 0.035(4) Uani 1 1 d . . . . .
C22 C 0.5055(18) 0.1163(16) 0.3626(17) 0.089(8) Uani 1 1 d . . . . .
H22A H 0.5212 0.0641 0.3326 0.133 Uiso 1 1 calc R U . . .
H22B H 0.5651 0.1564 0.4182 0.133 Uiso 1 1 calc R U . . .
H22C H 0.4875 0.1449 0.3241 0.133 Uiso 1 1 calc R U . . .
C23 C 0.3294(15) 0.0200(11) 0.2990(11) 0.064(6) Uani 1 1 d . . . . .
H23A H 0.3158 0.0373 0.2511 0.096 Uiso 1 1 calc R U . . .
H23B H 0.2687 0.0107 0.3095 0.096 Uiso 1 1 calc R U . . .
H23C H 0.3469 -0.0340 0.2821 0.096 Uiso 1 1 calc R U . . .
C24 C 0.4481(14) 0.0613(10) 0.4528(10) 0.050(5) Uani 1 1 d . . . . .
H24A H 0.4759 0.0135 0.4345 0.075 Uiso 1 1 calc R U . . .
H24B H 0.3889 0.0410 0.4618 0.075 Uiso 1 1 calc R U . . .
H24C H 0.5000 0.1097 0.5084 0.075 Uiso 1 1 calc R U . . .
C25 C 0.7284(11) 0.3357(9) 0.3856(9) 0.025(3) Uani 1 1 d . . . . .
C26 C 0.8160(12) 0.4032(11) 0.3949(12) 0.045(4) Uani 1 1 d . . . . .
H26A H 0.8581 0.3738 0.3703 0.068 Uiso 1 1 calc R U . . .
H26B H 0.8576 0.4437 0.4578 0.068 Uiso 1 1 calc R U . . .
H26C H 0.7887 0.4355 0.3626 0.068 Uiso 1 1 calc R U . . .
C27 C 0.6631(13) 0.2693(11) 0.2896(10) 0.048(5) Uani 1 1 d . . . . .
H27A H 0.6389 0.2993 0.2538 0.072 Uiso 1 1 calc R U . . .
H27B H 0.6047 0.2302 0.2859 0.072 Uiso 1 1 calc R U . . .
H27C H 0.7034 0.2353 0.2673 0.072 Uiso 1 1 calc R U . . .
C28 C 0.7672(12) 0.2903(11) 0.4413(11) 0.040(4) Uani 1 1 d . . . . .
H28A H 0.7095 0.2503 0.4374 0.060 Uiso 1 1 calc R U . . .
H28B H 0.8086 0.3336 0.5032 0.060 Uiso 1 1 calc R U . . .
H28C H 0.8087 0.2575 0.4194 0.060 Uiso 1 1 calc R U . . .
C29 C 0.3049(12) 0.1707(11) 0.0946(9) 0.041(4) Uani 1 1 d . . . . .
C30 C 0.2878(14) 0.1970(12) 0.0205(10) 0.054(5) Uani 1 1 d . . . . .
H30A H 0.2952 0.1530 -0.0281 0.081 Uiso 1 1 calc R U . . .
H30B H 0.3380 0.2533 0.0430 0.081 Uiso 1 1 calc R U . . .
H30C H 0.2192 0.2016 -0.0013 0.081 Uiso 1 1 calc R U . . .
C31 C 0.4066(14) 0.1566(12) 0.1258(11) 0.064(6) Uani 1 1 d . . . . .
H31A H 0.4093 0.1093 0.0767 0.095 Uiso 1 1 calc R U . . .
H31B H 0.4162 0.1411 0.1747 0.095 Uiso 1 1 calc R U . . .
H31C H 0.4604 0.2101 0.1465 0.095 Uiso 1 1 calc R U . . .
C32 C 0.2232(16) 0.0915(12) 0.0689(12) 0.068(6) Uani 1 1 d . . . . .
H32A H 0.2196 0.0431 0.0170 0.102 Uiso 1 1 calc R U . . .
H32B H 0.1579 0.1031 0.0544 0.102 Uiso 1 1 calc R U . . .
H32C H 0.2385 0.0764 0.1183 0.102 Uiso 1 1 calc R U . . .
C33 C 0.6169(12) 0.4389(12) 0.1380(11) 0.063(5) Uani 1 1 d D . . . .
C34 C 0.541(3) 0.355(2) 0.0553(18) 0.063(5) Uani 0.50(3) 1 d D . P A 1
H34A H 0.5650 0.3416 0.0089 0.094 Uiso 0.50(3) 1 calc R U P A 1
H34B H 0.4741 0.3626 0.0334 0.094 Uiso 0.50(3) 1 calc R U P A 1
H34C H 0.5356 0.3065 0.0710 0.094 Uiso 0.50(3) 1 calc R U P A 1
C35 C 0.723(2) 0.430(3) 0.164(3) 0.063(5) Uani 0.50(3) 1 d D . P A 1
H35A H 0.7390 0.4146 0.1129 0.094 Uiso 0.50(3) 1 calc R U P A 1
H35B H 0.7264 0.3851 0.1843 0.094 Uiso 0.50(3) 1 calc R U P A 1
H35C H 0.7729 0.4860 0.2124 0.094 Uiso 0.50(3) 1 calc R U P A 1
C36 C 0.594(4) 0.507(2) 0.106(3) 0.063(5) Uani 0.50(3) 1 d D . P A 1
H36A H 0.6073 0.4953 0.0530 0.094 Uiso 0.50(3) 1 calc R U P A 1
H36B H 0.6387 0.5651 0.1526 0.094 Uiso 0.50(3) 1 calc R U P A 1
H36C H 0.5232 0.5041 0.0902 0.094 Uiso 0.50(3) 1 calc R U P A 1
C34A C 0.607(4) 0.3460(16) 0.086(2) 0.088(12) Uani 0.50(3) 1 d D . P A 2
H34D H 0.5418 0.3081 0.0728 0.132 Uiso 0.50(3) 1 calc R U P A 2
H34E H 0.6626 0.3308 0.1202 0.132 Uiso 0.50(3) 1 calc R U P A 2
H34F H 0.6104 0.3381 0.0300 0.132 Uiso 0.50(3) 1 calc R U P A 2
C35A C 0.570(3) 0.465(3) 0.069(3) 0.088(12) Uani 0.50(3) 1 d D . P A 2
H35D H 0.5777 0.4305 0.0153 0.132 Uiso 0.50(3) 1 calc R U P A 2
H35E H 0.6039 0.5269 0.0899 0.132 Uiso 0.50(3) 1 calc R U P A 2
H35F H 0.4979 0.4553 0.0543 0.132 Uiso 0.50(3) 1 calc R U P A 2
C36A C 0.7286(17) 0.480(3) 0.172(2) 0.088(12) Uani 0.50(3) 1 d D . P A 2
H36D H 0.7495 0.4542 0.1245 0.132 Uiso 0.50(3) 1 calc R U P A 2
H36E H 0.7659 0.4702 0.2224 0.132 Uiso 0.50(3) 1 calc R U P A 2
H36F H 0.7435 0.5428 0.1904 0.132 Uiso 0.50(3) 1 calc R U P A 2
C37 C -0.0366(15) 0.1731(13) -0.0244(13) 0.056(5) Uani 1 1 d . . . . .
C38 C -0.1297(15) 0.1123(16) -0.1006(13) 0.091(8) Uani 1 1 d . . . . .
H38A H -0.1865 0.1346 -0.0989 0.137 Uiso 1 1 calc R U . . .
H38B H -0.1422 0.0559 -0.0996 0.137 Uiso 1 1 calc R U . . .
H38C H -0.1233 0.1054 -0.1551 0.137 Uiso 1 1 calc R U . . .
C39 C 0.1691(14) 0.0306(13) 0.5106(11) 0.050(5) Uani 1 1 d . . . . .
C40 C 0.1189(19) -0.0397(14) 0.5272(17) 0.091(8) Uani 1 1 d . . . . .
H40A H 0.0691 -0.0881 0.4705 0.137 Uiso 1 1 calc R U . . .
H40B H 0.0845 -0.0161 0.5641 0.137 Uiso 1 1 calc R U . . .
H40C H 0.1707 -0.0607 0.5579 0.137 Uiso 1 1 calc R U . . .
C110 C 0.0236(18) 0.105(2) 0.1688(16) 0.122(6) Uani 1 1 d D . . . .
Ag1 Ag 0.57812(10) 0.60159(9) 0.28868(9) 0.0441(4) Uani 1 1 d . . . . .
Ag2 Ag 0.42725(10) 0.70997(9) 0.35494(8) 0.0450(4) Uani 1 1 d . . . . .
Ag3 Ag 0.40300(9) 0.43897(9) 0.17314(8) 0.0397(3) Uani 1 1 d . . . . .
Ag4 Ag 0.47155(10) 0.36646(9) 0.31335(8) 0.0406(5) Uani 0.966(4) 1 d . . P B 1
Ag4A Ag 0.392(3) 0.390(3) 0.300(3) 0.046(15) Uiso 0.034(4) 1 d . . P B 2
Ag5 Ag 0.5000 0.5000 0.5000 0.0452(5) Uani 1 2 d S . P B .
Ag6 Ag 0.25134(10) 0.54852(8) 0.24153(8) 0.0406(3) Uani 1 1 d . . . . .
Ag7 Ag 0.31463(10) 0.22233(8) 0.30207(8) 0.0384(3) Uani 1 1 d . . . . .
Ag8 Ag 0.18399(9) 0.32358(8) 0.37785(8) 0.0353(3) Uani 1 1 d . . . . .
Ag9 Ag 0.33692(9) 0.45612(8) 0.56651(8) 0.0371(4) Uani 0.967(2) 1 d . . P B 1
Ag9A Ag 0.369(3) 0.390(2) 0.546(2) 0.0371(4) Uani 0.033(2) 1 d . . P B 2
Ag10 Ag 0.71136(11) 0.48950(12) 0.59387(12) 0.0358(7) Uani 0.805(6) 1 d . . P B
1
A10A Ag 0.6989(5) 0.5398(6) 0.6517(6) 0.047(4) Uani 0.195(6) 1 d . . P B 2
Ag11 Ag 0.52613(19) 0.32399(13) 0.47691(14) 0.0378(9) Uani 0.605(5) 1 d . . P B
1
A11A Ag 0.4639(3) 0.32656(19) 0.5029(2) 0.0389(16) Uani 0.395(5) 1 d . . P B 2
Cu1 Cu 0.15883(14) 0.30591(13) 0.13977(12) 0.0376(5) Uani 1 1 d . . . . .
Cu2 Cu 0.28866(15) 0.18511(13) 0.50739(13) 0.0394(5) Uani 1 1 d . . . . .
F7 F 0.5433(15) 0.1492(15) -0.0515(14) 0.184(3) Uani 1 1 d D . . . .
F8 F 0.7449(16) 0.1096(15) 0.0298(14) 0.184(3) Uani 1 1 d D . . . .
F9 F 0.6355(18) 0.0754(14) -0.1049(12) 0.184(3) Uani 1 1 d D . . . .
F10 F 0.6632(18) 0.1878(14) 0.0863(12) 0.184(3) Uani 1 1 d D . . . .
F11 F 0.7061(17) 0.2091(14) -0.0206(15) 0.184(3) Uani 1 1 d D . . . .
F12 F 0.5896(17) 0.0537(14) -0.0019(14) 0.184(3) Uani 1 1 d D . . . .
O2 O 0.1136(13) 0.1296(13) 0.2499(12) 0.122(6) Uani 1 1 d D . . . .
O1 O -0.309(4) 0.028(3) 0.167(4) 0.199(16) Uiso 0.56(3) 1 d . . P C 1
O1A O -0.294(5) 0.050(4) 0.270(5) 0.199(16) Uiso 0.44(3) 1 d . . P C 2
N1 N 0.2079(11) 0.0821(11) 0.4998(10) 0.050(4) Uani 1 1 d . . . . .
N2 N 0.0370(11) 0.2205(10) 0.0386(9) 0.049(4) Uani 1 1 d . . . . .
P1 P -0.0413(4) -0.0882(3) 0.2505(3) 0.0580(14) Uani 1 1 d D . . . .
F1 F -0.099(5) -0.1830(19) 0.217(4) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F2 F -0.143(3) -0.071(5) 0.224(4) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F3 F 0.018(5) 0.0074(18) 0.292(4) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F4 F 0.057(3) -0.109(5) 0.280(4) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F5 F -0.045(5) -0.104(4) 0.160(2) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F6 F -0.042(5) -0.070(4) 0.342(2) 0.184(3) Uani 0.242(16) 1 d D . P D 1
F1A F -0.066(2) -0.0073(14) 0.2947(16) 0.184(3) Uani 0.758(16) 1 d D . P D 2
F2A F 0.0692(14) -0.0295(18) 0.2896(16) 0.184(3) Uani 0.758(16) 1 d D . P D 2
F3A F -0.010(2) -0.1677(14) 0.2080(17) 0.184(3) Uani 0.758(16) 1 d D . P D 2
F4A F -0.1500(14) -0.1452(18) 0.2083(16) 0.184(3) Uani 0.758(16) 1 d D . P D 2
F5A F -0.018(2) -0.1017(18) 0.3347(13) 0.184(3) Uani 0.758(16) 1 d D . P D 2
F6A F -0.061(2) -0.0743(18) 0.1651(13) 0.184(3) Uani 0.758(16) 1 d D . P D 2
P2 P 0.6474(13) 0.1321(9) -0.0106(8) 0.200(7) Uani 1 1 d D . . . .
S1 S 0.5775(3) 0.7466(3) 0.3423(2) 0.0356(10) Uani 1 1 d . . . . .
S2 S 0.5805(3) 0.4564(3) 0.2275(3) 0.0359(10) Uani 1 1 d . . . . .
S3 S 0.2272(3) 0.4230(3) 0.1168(2) 0.0319(9) Uani 1 1 d . . . . .
S4 S 0.2739(3) 0.6770(3) 0.3642(3) 0.0379(10) Uani 1 1 d . . . . .
S5 S 0.1455(3) 0.3799(3) 0.2711(2) 0.0383(10) Uani 1 1 d . . . . .
S6 S 0.3023(3) 0.2663(3) 0.1892(2) 0.0330(9) Uani 1 1 d . . . . .
S7 S 0.6465(2) 0.3933(2) 0.4293(2) 0.0211(8) Uani 1 1 d . . . . .
S8 S 0.5398(3) 0.4664(2) 0.6145(2) 0.0266(9) Uani 1 1 d . . . . .
S9 S 0.2276(3) 0.3015(2) 0.5075(2) 0.0288(9) Uani 1 1 d . . . . .
S10 S 0.3755(4) 0.1869(3) 0.4225(3) 0.0457(12) Uani 1 1 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
C4 C1 C2 111.4(15) . . ?
C4 C1 C3 108.8(17) . . ?
C2 C1 C3 111.0(17) . . ?
C4 C1 S4 108.0(11) . . ?
C2 C1 S4 111.3(11) . . ?
C3 C1 S4 106.1(11) . . ?
C7 C5 C6 113.3(16) . . ?
C7 C5 C8 110.6(15) . . ?
C6 C5 C8 110.2(15) . . ?
C7 C5 S1 107.8(13) . . ?
C6 C5 S1 105.9(11) . . ?
C8 C5 S1 108.8(12) . . ?
C10 C9 C11 113.7(17) . . ?
C10 C9 C12 108.5(16) . . ?
C11 C9 C12 111.8(18) . . ?
C10 C9 S3 108.9(14) . . ?
C11 C9 S3 107.4(13) . . ?
C12 C9 S3 106.1(13) . . ?
C15 C13 C16 110.4(13) . . ?
C15 C13 C14 110.9(14) . . ?
C16 C13 C14 110.4(13) . . ?
C15 C13 S5 110.6(10) . . ?
C16 C13 S5 108.6(11) . . ?
C14 C13 S5 105.8(10) . . ?
C20 C17 C19 112.0(13) . . ?
C20 C17 C18 110.4(15) . . ?
C19 C17 C18 108.9(14) . . ?
C20 C17 S9 108.0(11) . . ?
C19 C17 S9 108.3(11) . . ?
C18 C17 S9 109.0(10) . . ?
C24 C21 C23 110.4(14) . . ?
C24 C21 C22 110.5(15) . . ?
C23 C21 C22 109.7(16) . . ?
C24 C21 S10 108.8(11) . . ?
C23 C21 S10 108.7(11) . . ?
C22 C21 S10 108.7(13) . . ?
C28 C25 C27 110.0(13) . . ?
C28 C25 C26 111.1(12) . . ?
C27 C25 C26 111.9(13) . . ?
C28 C25 S7 106.6(9) . . ?
C27 C25 S7 108.5(10) . . ?
C26 C25 S7 108.6(10) . . ?
C32 C29 C31 109.7(16) . . ?
C32 C29 C30 112.6(14) . . ?
C31 C29 C30 111.3(15) . . ?
C32 C29 S6 108.5(12) . . ?
C31 C29 S6 109.2(10) . . ?
C30 C29 S6 105.4(11) . . ?
C35A C33 C36A 104(2) . . ?
C35A C33 C34A 103(2) . . ?
C36A C33 C34A 99.9(19) . . ?
C35 C33 C36 119(3) . . ?
C35 C33 C34 109(2) . . ?
C36 C33 C34 101(2) . . ?
C35A C33 S2 122.1(18) . . ?
C36A C33 S2 111.8(17) . . ?
C34A C33 S2 113.7(17) . . ?
C35 C33 S2 110.5(17) . . ?
C36 C33 S2 107.9(18) . . ?
C34 C33 S2 109.5(16) . . ?
N2 C37 C38 178(2) . . ?
N1 C39 C40 178(2) . . ?
S1 Ag1 S2 176.49(14) . . ?
S1 Ag1 Ag9A 91.0(8) . 2_666 ?
S2 Ag1 Ag9A 92.2(8) . 2_666 ?
S1 Ag1 Ag3 128.85(11) . . ?
S2 Ag1 Ag3 51.60(10) . . ?
Ag9A Ag1 Ag3 102.9(8) 2_666 . ?
S1 Ag1 Ag9 114.33(10) . 2_666 ?
S2 Ag1 Ag9 68.65(10) . 2_666 ?
Ag3 Ag1 Ag9 93.26(5) . 2_666 ?
S1 Ag1 Ag2 43.56(10) . . ?
S2 Ag1 Ag2 138.66(11) . . ?
Ag9A Ag1 Ag2 79.1(8) 2_666 . ?
Ag3 Ag1 Ag2 90.74(5) . . ?
Ag9 Ag1 Ag2 102.06(5) 2_666 . ?
S1 Ag2 S4 177.37(15) . . ?
S1 Ag2 A11A 88.58(13) . 2_666 ?
S4 Ag2 A11A 93.88(14) . 2_666 ?
S1 Ag2 Ag6 128.81(11) . . ?
S4 Ag2 Ag6 51.59(11) . . ?
A11A Ag2 Ag6 100.90(8) 2_666 . ?
S1 Ag2 Ag11 109.17(11) . 2_666 ?
S4 Ag2 Ag11 73.17(11) . 2_666 ?
Ag6 Ag2 Ag11 92.30(6) . 2_666 ?
S1 Ag2 Ag1 44.18(11) . . ?
S4 Ag2 Ag1 137.54(12) . . ?
A11A Ag2 Ag1 74.43(9) 2_666 . ?
Ag6 Ag2 Ag1 89.94(5) . . ?
Ag11 Ag2 Ag1 94.10(6) 2_666 . ?
S3 Ag3 S2 178.59(14) . . ?
S3 Ag3 Ag4A 91.0(9) . . ?
S2 Ag3 Ag4A 90.4(9) . . ?
S3 Ag3 Ag1 128.51(11) . . ?
S2 Ag3 Ag1 51.09(11) . . ?
Ag4A Ag3 Ag1 99.3(8) . . ?
S3 Ag3 Ag4 112.76(10) . . ?
S2 Ag3 Ag4 68.64(10) . . ?
Ag1 Ag3 Ag4 91.71(5) . . ?
S6 Ag4 S7 151.36(13) . . ?
S6 Ag4 S8 109.46(12) . 2_666 ?
S7 Ag4 S8 97.75(11) . 2_666 ?
S6 Ag4 Ag7 49.57(10) . . ?
S7 Ag4 Ag7 110.14(9) . . ?
S8 Ag4 Ag7 116.74(9) 2_666 . ?
S6 Ag4 Ag5 123.70(10) . . ?
S7 Ag4 Ag5 70.92(8) . . ?
S8 Ag4 Ag5 44.21(7) 2_666 . ?
Ag7 Ag4 Ag5 93.42(4) . . ?
S6 Ag4 Ag3 70.48(10) . . ?
S7 Ag4 Ag3 131.06(9) . . ?
S8 Ag4 Ag3 66.86(8) 2_666 . ?
Ag7 Ag4 Ag3 118.33(5) . . ?
Ag5 Ag4 Ag3 110.99(5) . . ?
S6 Ag4 Ag11 111.74(11) . . ?
S7 Ag4 Ag11 51.81(9) . . ?
S8 Ag4 Ag11 101.93(9) 2_666 . ?
Ag7 Ag4 Ag11 62.24(5) . . ?
Ag5 Ag4 Ag11 57.72(5) . . ?
Ag3 Ag4 Ag11 168.16(7) . . ?
S6 Ag4 Ag9 156.61(10) . 2_666 ?
S7 Ag4 Ag9 50.94(8) . 2_666 ?
S8 Ag4 Ag9 54.24(8) 2_666 2_666 ?
Ag7 Ag4 Ag9 149.24(5) . 2_666 ?
Ag5 Ag4 Ag9 59.08(3) . 2_666 ?
Ag3 Ag4 Ag9 86.72(5) . 2_666 ?
Ag11 Ag4 Ag9 89.52(5) . 2_666 ?
S6 Ag4A A10A 111.9(18) . 2_666 ?
S6 Ag4A S8 162(2) . 2_666 ?
A10A Ag4A S8 61.4(11) 2_666 2_666 ?
S6 Ag4A Ag3 84.0(12) . . ?
A10A Ag4A Ag3 103.2(15) 2_666 . ?
S8 Ag4A Ag3 81.4(12) 2_666 . ?
S6 Ag4A Ag7 52.2(9) . . ?
A10A Ag4A Ag7 99.9(14) 2_666 . ?
S8 Ag4A Ag7 142.9(16) 2_666 . ?
Ag3 Ag4A Ag7 135.6(14) . . ?
S6 Ag4A Ag5 148.9(17) . . ?
A10A Ag4A Ag5 68.5(10) 2_666 . ?
S8 Ag4A Ag5 47.7(7) 2_666 . ?
Ag3 Ag4A Ag5 126.9(14) . . ?
Ag7 Ag4A Ag5 96.8(11) . . ?
S8 Ag5 S8 180.00(17) 2_666 . ?
S8 Ag5 A10A 47.72(16) 2_666 2_666 ?
S8 Ag5 A10A 132.28(16) . 2_666 ?
S8 Ag5 A10A 132.28(16) 2_666 . ?
S8 Ag5 A10A 47.72(16) . . ?
A10A Ag5 A10A 180.0(4) 2_666 . ?
S8 Ag5 A11A 49.18(11) 2_666 2_666 ?
S8 Ag5 A11A 130.82(11) . 2_666 ?
A10A Ag5 A11A 81.68(15) 2_666 2_666 ?
A10A Ag5 A11A 98.32(15) . 2_666 ?
S8 Ag5 A11A 130.82(11) 2_666 . ?
S8 Ag5 A11A 49.18(11) . . ?
A10A Ag5 A11A 98.32(15) 2_666 . ?
A10A Ag5 A11A 81.68(15) . . ?
A11A Ag5 A11A 180.0 2_666 . ?
S8 Ag5 Ag4A 47.2(8) 2_666 . ?
S8 Ag5 Ag4A 132.8(8) . . ?
A10A Ag5 Ag4A 41.5(8) 2_666 . ?
A10A Ag5 Ag4A 138.5(8) . . ?
A11A Ag5 Ag4A 96.4(7) 2_666 . ?
A11A Ag5 Ag4A 83.6(8) . . ?
S8 Ag5 Ag4A 132.8(8) 2_666 2_666 ?
S8 Ag5 Ag4A 47.2(8) . 2_666 ?
A10A Ag5 Ag4A 138.5(8) 2_666 2_666 ?
A10A Ag5 Ag4A 41.5(8) . 2_666 ?
A11A Ag5 Ag4A 83.6(8) 2_666 2_666 ?
A11A Ag5 Ag4A 96.4(7) . 2_666 ?
Ag4A Ag5 Ag4A 180.0(15) . 2_666 ?
S8 Ag5 Ag9A 48.8(7) 2_666 2_666 ?
S8 Ag5 Ag9A 131.2(7) . 2_666 ?
A10A Ag5 Ag9A 96.4(7) 2_666 2_666 ?
A10A Ag5 Ag9A 83.6(7) . 2_666 ?
A11A Ag5 Ag9A 40.4(8) 2_666 2_666 ?
A11A Ag5 Ag9A 139.6(8) . 2_666 ?
Ag4A Ag5 Ag9A 83.1(10) . 2_666 ?
Ag4A Ag5 Ag9A 96.9(10) 2_666 2_666 ?
S8 Ag5 Ag9A 131.2(7) 2_666 . ?
S8 Ag5 Ag9A 48.8(7) . . ?
A10A Ag5 Ag9A 83.6(7) 2_666 . ?
A10A Ag5 Ag9A 96.4(7) . . ?
A11A Ag5 Ag9A 139.6(8) 2_666 . ?
A11A Ag5 Ag9A 40.4(8) . . ?
Ag4A Ag5 Ag9A 96.9(10) . . ?
Ag4A Ag5 Ag9A 83.1(10) 2_666 . ?
Ag9A Ag5 Ag9A 180.0(13) 2_666 . ?
S8 Ag5 Ag11 59.26(10) 2_666 2_666 ?
S8 Ag5 Ag11 120.74(10) . 2_666 ?
S8 Ag5 Ag11 120.74(10) 2_666 . ?
S8 Ag5 Ag11 59.26(10) . . ?
Ag11 Ag5 Ag11 180.0 2_666 . ?
S3 Ag6 S4 178.21(14) . . ?
S3 Ag6 A10A 89.8(2) . 2_666 ?
S4 Ag6 A10A 92.0(2) . 2_666 ?
S3 Ag6 Ag2 129.55(11) . . ?
S4 Ag6 Ag2 50.27(11) . . ?
A10A Ag6 Ag2 98.65(16) 2_666 . ?
S3 Ag6 Ag10 110.73(11) . 2_666 ?
S4 Ag6 Ag10 71.03(10) . 2_666 ?
Ag2 Ag6 Ag10 89.71(5) . 2_666 ?
S6 Ag7 S10 163.97(16) . . ?
S6 Ag7 Ag4A 45.1(7) . . ?
S10 Ag7 Ag4A 127.0(8) . . ?
S6 Ag7 Ag4 53.34(10) . . ?
S10 Ag7 Ag4 113.37(13) . . ?
S6 Ag7 A11A 126.75(13) . . ?
S10 Ag7 A11A 44.98(13) . . ?
Ag4A Ag7 A11A 82.6(7) . . ?
S6 Ag7 Ag8 98.73(10) . . ?
S10 Ag7 Ag8 92.79(11) . . ?
Ag4A Ag7 Ag8 81.2(8) . . ?
Ag4 Ag7 Ag8 102.09(5) . . ?
A11A Ag7 Ag8 78.57(8) . . ?
S6 Ag7 Ag11 113.88(11) . . ?
S10 Ag7 Ag11 53.20(13) . . ?
Ag4 Ag7 Ag11 60.61(5) . . ?
Ag8 Ag7 Ag11 97.04(6) . . ?
S9 Ag8 S5 166.53(15) . . ?
S9 Ag8 Ag9A 45.1(7) . . ?
S5 Ag8 Ag9A 128.2(7) . . ?
S9 Ag8 A10A 128.69(18) . 2_666 ?
S5 Ag8 A10A 44.43(16) . 2_666 ?
Ag9A Ag8 A10A 84.2(7) . 2_666 ?
S9 Ag8 Ag9 53.69(10) . . ?
S5 Ag8 Ag9 115.00(12) . . ?
S9 Ag8 Ag7 96.97(10) . . ?
S5 Ag8 Ag7 92.94(10) . . ?
Ag9A Ag8 Ag7 81.9(8) . . ?
A10A Ag8 Ag7 80.0(2) 2_666 . ?
Ag9 Ag8 Ag7 103.62(5) . . ?
S9 Ag8 Ag10 116.39(11) . 2_666 ?
S5 Ag8 Ag10 52.56(11) . 2_666 ?
Ag9 Ag8 Ag10 62.75(4) . 2_666 ?
Ag7 Ag8 Ag10 99.57(5) . 2_666 ?
S9 Ag9 S7 149.15(12) . 2_666 ?
S9 Ag9 S8 110.79(12) . . ?
S7 Ag9 S8 97.19(11) 2_666 . ?
S9 Ag9 Ag8 49.39(9) . . ?
S7 Ag9 Ag8 106.47(9) 2_666 . ?
S8 Ag9 Ag8 117.30(9) . . ?
S9 Ag9 Ag1 73.08(9) . 2_666 ?
S7 Ag9 Ag1 132.39(9) 2_666 2_666 ?
S8 Ag9 Ag1 66.95(8) . 2_666 ?
Ag8 Ag9 Ag1 120.83(5) . 2_666 ?
S9 Ag9 Ag5 121.73(9) . . ?
S7 Ag9 Ag5 70.49(8) 2_666 . ?
S8 Ag9 Ag5 44.13(7) . . ?
Ag8 Ag9 Ag5 91.46(4) . . ?
Ag1 Ag9 Ag5 110.91(4) 2_666 . ?
S9 Ag9 Ag10 109.47(10) . 2_666 ?
S7 Ag9 Ag10 50.09(8) 2_666 2_666 ?
S8 Ag9 Ag10 101.45(9) . 2_666 ?
Ag8 Ag9 Ag10 60.11(4) . 2_666 ?
Ag1 Ag9 Ag10 167.83(6) 2_666 2_666 ?
Ag5 Ag9 Ag10 57.33(4) . 2_666 ?
S9 Ag9 Ag4 160.36(10) . 2_666 ?
S7 Ag9 Ag4 50.25(8) 2_666 2_666 ?
S8 Ag9 Ag4 54.29(8) . 2_666 ?
Ag8 Ag9 Ag4 145.59(5) . 2_666 ?
Ag1 Ag9 Ag4 88.28(5) 2_666 2_666 ?
Ag5 Ag9 Ag4 58.84(3) . 2_666 ?
Ag10 Ag9 Ag4 87.50(5) 2_666 2_666 ?
A11A Ag9A S9 111.8(18) . . ?
A11A Ag9A S8 62.9(10) . . ?
S9 Ag9A S8 162.9(19) . . ?
A11A Ag9A Ag1 102.8(14) . 2_666 ?
S9 Ag9A Ag1 86.6(12) . 2_666 ?
S8 Ag9A Ag1 79.3(11) . 2_666 ?
A11A Ag9A Ag8 101.5(14) . . ?
S9 Ag9A Ag8 52.9(8) . . ?
S8 Ag9A Ag8 142.4(15) . . ?
Ag1 Ag9A Ag8 138.3(14) 2_666 . ?
A11A Ag9A Ag5 69.0(10) . . ?
S9 Ag9A Ag5 148.4(16) . . ?
S8 Ag9A Ag5 47.5(7) . . ?
Ag1 Ag9A Ag5 124.7(13) 2_666 . ?
Ag8 Ag9A Ag5 95.6(10) . . ?
S7 Ag10 S5 144.37(13) . 2_666 ?
S7 Ag10 S8 101.45(12) . . ?
S5 Ag10 S8 111.35(14) 2_666 . ?
S7 Ag10 Ag5 72.34(8) . . ?
S5 Ag10 Ag5 122.44(11) 2_666 . ?
S8 Ag10 Ag5 45.56(8) . . ?
S7 Ag10 Ag11 53.04(10) . . ?
S5 Ag10 Ag11 162.10(12) 2_666 . ?
S8 Ag10 Ag11 55.56(10) . . ?
Ag5 Ag10 Ag11 59.34(5) . . ?
S7 Ag10 Ag6 133.55(11) . 2_666 ?
S5 Ag10 Ag6 72.82(10) 2_666 2_666 ?
S8 Ag10 Ag6 70.74(9) . 2_666 ?
Ag5 Ag10 Ag6 116.23(6) . 2_666 ?
Ag11 Ag10 Ag6 90.34(6) . 2_666 ?
S7 Ag10 Ag8 104.52(10) . 2_666 ?
S5 Ag10 Ag8 48.24(10) 2_666 2_666 ?
S8 Ag10 Ag8 116.96(11) . 2_666 ?
Ag5 Ag10 Ag8 91.16(5) . 2_666 ?
Ag11 Ag10 Ag8 145.86(7) . 2_666 ?
Ag6 Ag10 Ag8 120.06(6) 2_666 2_666 ?
S7 Ag10 Ag9 51.01(9) . 2_666 ?
S5 Ag10 Ag9 105.11(11) 2_666 2_666 ?
S8 Ag10 Ag9 105.37(9) . 2_666 ?
Ag5 Ag10 Ag9 59.83(3) . 2_666 ?
Ag11 Ag10 Ag9 91.03(6) . 2_666 ?
Ag6 Ag10 Ag9 174.01(8) 2_666 2_666 ?
Ag8 Ag10 Ag9 57.13(4) 2_666 2_666 ?
Ag4A A10A S5 108.2(12) 2_666 2_666 ?
Ag4A A10A S8 61.4(11) 2_666 . ?
S5 A10A S8 161.6(5) 2_666 . ?
Ag4A A10A Ag6 102.9(11) 2_666 2_666 ?
S5 A10A Ag6 85.2(2) 2_666 2_666 ?
S8 A10A Ag6 82.8(2) . 2_666 ?
Ag4A A10A Ag5 70.0(11) 2_666 . ?
S5 A10A Ag5 146.2(3) 2_666 . ?
S8 A10A Ag5 48.17(15) . . ?
Ag6 A10A Ag5 128.6(2) 2_666 . ?
Ag4A A10A Ag8 98.8(11) 2_666 2_666 ?
S5 A10A Ag8 51.66(17) 2_666 2_666 ?
S8 A10A Ag8 141.0(3) . 2_666 ?
Ag6 A10A Ag8 136.1(2) 2_666 2_666 ?
Ag5 A10A Ag8 94.63(18) . 2_666 ?
S7 Ag11 S10 143.27(15) . . ?
S7 Ag11 S8 100.22(13) . . ?
S10 Ag11 S8 114.09(15) . . ?
S7 Ag11 Ag5 72.55(9) . . ?
S10 Ag11 Ag5 123.10(13) . . ?
S8 Ag11 Ag5 45.70(8) . . ?
S7 Ag11 Ag10 52.49(9) . . ?
S10 Ag11 Ag10 163.34(13) . . ?
S8 Ag11 Ag10 54.73(9) . . ?
Ag5 Ag11 Ag10 60.15(5) . . ?
S7 Ag11 Ag2 130.31(12) . 2_666 ?
S10 Ag11 Ag2 76.34(11) . 2_666 ?
S8 Ag11 Ag2 70.11(9) . 2_666 ?
Ag5 Ag11 Ag2 115.77(8) . 2_666 ?
Ag10 Ag11 Ag2 87.62(6) . 2_666 ?
S7 Ag11 Ag4 51.52(9) . . ?
S10 Ag11 Ag4 103.76(11) . . ?
S8 Ag11 Ag4 106.54(10) . . ?
Ag5 Ag11 Ag4 60.84(4) . . ?
Ag10 Ag11 Ag4 91.94(7) . . ?
Ag2 Ag11 Ag4 176.13(10) 2_666 . ?
S7 Ag11 Ag7 105.09(10) . . ?
S10 Ag11 Ag7 46.97(10) . . ?
S8 Ag11 Ag7 119.32(12) . . ?
Ag5 Ag11 Ag7 92.19(6) . . ?
Ag10 Ag11 Ag7 147.18(8) . . ?
Ag2 Ag11 Ag7 122.42(8) 2_666 . ?
Ag4 Ag11 Ag7 57.16(5) . . ?
Ag9A A11A S10 107.0(10) . . ?
Ag9A A11A S8 63.1(10) . . ?
S10 A11A S8 163.6(3) . . ?
Ag9A A11A Ag2 103.7(10) . 2_666 ?
S10 A11A Ag2 89.10(15) . 2_666 ?
S8 A11A Ag2 81.27(13) . 2_666 ?
Ag9A A11A Ag5 70.6(10) . . ?
S10 A11A Ag5 144.09(17) . . ?
S8 A11A Ag5 47.95(11) . . ?
Ag2 A11A Ag5 126.70(11) 2_666 . ?
Ag9A A11A Ag7 98.1(10) . . ?
S10 A11A Ag7 49.63(12) . . ?
S8 A11A Ag7 141.01(15) . . ?
Ag2 A11A Ag7 137.69(11) 2_666 . ?
Ag5 A11A Ag7 94.61(9) . . ?
N2 Cu1 S6 119.8(4) . . ?
N2 Cu1 S5 117.4(4) . . ?
S6 Cu1 S5 101.97(14) . . ?
N2 Cu1 S3 113.4(4) . . ?
S6 Cu1 S3 99.97(15) . . ?
S5 Cu1 S3 101.42(16) . . ?
N1 Cu2 S10 125.6(5) . . ?
N1 Cu2 S9 121.8(5) . . ?
S10 Cu2 S9 98.75(15) . . ?
N1 Cu2 S1 103.4(5) . 2_666 ?
S10 Cu2 S1 103.46(17) . 2_666 ?
S9 Cu2 S1 99.87(15) . 2_666 ?
C39 N1 Cu2 168.2(16) . . ?
C37 N2 Cu1 175.5(15) . . ?
F5 P1 F3 92.7(19) . . ?
F5 P1 F4 93.5(19) . . ?
F3 P1 F4 89.9(19) . . ?
F1A P1 F4A 92.9(13) . . ?
F1A P1 F3A 176.8(14) . . ?
F4A P1 F3A 90.2(13) . . ?
F1A P1 F5A 88.9(12) . . ?
F4A P1 F5A 91.6(13) . . ?
F3A P1 F5A 90.7(12) . . ?
F1A P1 F2A 87.4(13) . . ?
F4A P1 F2A 177.3(13) . . ?
F3A P1 F2A 89.4(13) . . ?
F5A P1 F2A 91.1(12) . . ?
F5 P1 F2 90.0(19) . . ?
F3 P1 F2 92(2) . . ?
F4 P1 F2 176(2) . . ?
F5 P1 F1 92.9(19) . . ?
F3 P1 F1 174(2) . . ?
F4 P1 F1 89.1(19) . . ?
F2 P1 F1 88.3(19) . . ?
F1A P1 F6A 92.2(12) . . ?
F4A P1 F6A 90.2(13) . . ?
F3A P1 F6A 88.1(12) . . ?
F5A P1 F6A 177.9(14) . . ?
F2A P1 F6A 87.2(12) . . ?
F5 P1 F6 177(2) . . ?
F3 P1 F6 86.8(18) . . ?
F4 P1 F6 89.7(19) . . ?
F2 P1 F6 86.8(18) . . ?
F1 P1 F6 87.6(19) . . ?
F9 P2 F10 177.5(16) . . ?
F9 P2 F8 89.8(13) . . ?
F10 P2 F8 87.7(14) . . ?
F9 P2 F7 90.5(14) . . ?
F10 P2 F7 92.0(13) . . ?
F8 P2 F7 175.8(17) . . ?
F9 P2 F11 84.1(13) . . ?
F10 P2 F11 96.4(14) . . ?
F8 P2 F11 93.6(16) . . ?
F7 P2 F11 90.6(13) . . ?
F9 P2 F12 94.8(14) . . ?
F10 P2 F12 84.6(13) . . ?
F8 P2 F12 85.7(13) . . ?
F7 P2 F12 90.1(15) . . ?
F11 P2 F12 178.8(15) . . ?
C5 S1 Ag2 109.7(6) . . ?
C5 S1 Ag1 111.9(5) . . ?
Ag2 S1 Ag1 92.26(15) . . ?
C5 S1 Cu2 128.4(6) . 2_666 ?
Ag2 S1 Cu2 105.54(15) . 2_666 ?
Ag1 S1 Cu2 102.97(15) . 2_666 ?
C33 S2 Ag1 108.7(6) . . ?
C33 S2 Ag3 108.9(5) . . ?
Ag1 S2 Ag3 77.31(12) . . ?
C9 S3 Ag6 112.5(7) . . ?
C9 S3 Ag3 114.0(7) . . ?
Ag6 S3 Ag3 92.27(14) . . ?
C9 S3 Cu1 125.6(7) . . ?
Ag6 S3 Cu1 104.27(15) . . ?
Ag3 S3 Cu1 102.73(15) . . ?
C1 S4 Ag2 109.4(5) . . ?
C1 S4 Ag6 108.9(5) . . ?
Ag2 S4 Ag6 78.14(13) . . ?
C13 S5 A10A 135.2(6) . 2_666 ?
C13 S5 Cu1 114.0(5) . . ?
A10A S5 Cu1 96.8(3) 2_666 . ?
C13 S5 Ag8 106.8(5) . . ?
A10A S5 Ag8 83.9(2) 2_666 . ?
Cu1 S5 Ag8 118.01(19) . . ?
C13 S5 Ag10 110.4(5) . 2_666 ?
Cu1 S5 Ag10 122.98(17) . 2_666 ?
Ag8 S5 Ag10 79.19(12) . 2_666 ?
C29 S6 Ag4A 143.9(12) . . ?
C29 S6 Cu1 111.1(5) . . ?
Ag4A S6 Cu1 95.9(11) . . ?
C29 S6 Ag7 106.3(5) . . ?
Ag4A S6 Ag7 82.7(10) . . ?
Cu1 S6 Ag7 113.63(17) . . ?
C29 S6 Ag4 116.2(5) . . ?
Cu1 S6 Ag4 125.77(17) . . ?
Ag7 S6 Ag4 77.09(11) . . ?
C25 S7 Ag10 120.4(4) . . ?
C25 S7 Ag4 115.5(4) . . ?
Ag10 S7 Ag4 124.15(13) . . ?
C25 S7 Ag11 121.8(5) . . ?
Ag10 S7 Ag11 74.47(11) . . ?
Ag4 S7 Ag11 76.67(11) . . ?
C25 S7 Ag9 114.7(5) . 2_666 ?
Ag10 S7 Ag9 78.90(11) . 2_666 ?
Ag4 S7 Ag9 78.82(10) . 2_666 ?
Ag11 S7 Ag9 123.47(14) . 2_666 ?
A10A S8 Ag4A 57.2(11) . 2_666 ?
A10A S8 Ag5 84.1(2) . . ?
Ag4A S8 Ag5 85.1(10) 2_666 . ?
A10A S8 A11A 120.5(3) . . ?
Ag4A S8 A11A 168.0(10) 2_666 . ?
Ag5 S8 A11A 82.87(15) . . ?
A10A S8 Ag9A 167.3(10) . . ?
Ag4A S8 Ag9A 125.2(15) 2_666 . ?
Ag5 S8 Ag9A 83.8(9) . . ?
A11A S8 Ag9A 54.1(10) . . ?
Ag5 S8 Ag10 76.36(10) . . ?
Ag5 S8 Ag11 75.04(11) . . ?
Ag10 S8 Ag11 69.71(11) . . ?
Ag5 S8 Ag9 76.76(10) . . ?
Ag10 S8 Ag9 153.06(15) . . ?
Ag11 S8 Ag9 101.42(13) . . ?
Ag5 S8 Ag4 76.49(11) . 2_666 ?
Ag10 S8 Ag4 103.78(13) . 2_666 ?
Ag11 S8 Ag4 151.53(15) . 2_666 ?
Ag9 S8 Ag4 71.47(9) . 2_666 ?
C17 S9 Ag9A 144.4(12) . . ?
C17 S9 Cu2 109.0(5) . . ?
Ag9A S9 Cu2 95.9(11) . . ?
C17 S9 Ag8 106.7(5) . . ?
Ag9A S9 Ag8 82.0(10) . . ?
Cu2 S9 Ag8 117.88(16) . . ?
C17 S9 Ag9 116.3(5) . . ?
Cu2 S9 Ag9 125.25(16) . . ?
Ag8 S9 Ag9 76.92(11) . . ?
C21 S10 A11A 130.6(6) . . ?
C21 S10 Cu2 115.7(5) . . ?
A11A S10 Cu2 95.2(2) . . ?
C21 S10 Ag7 106.3(5) . . ?
A11A S10 Ag7 85.39(16) . . ?
Cu2 S10 Ag7 121.9(2) . . ?
C21 S10 Ag11 107.2(5) . . ?
Cu2 S10 Ag11 120.12(19) . . ?
Ag7 S10 Ag11 79.82(13) . . ?
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
C1 C4 1.47(2) . ?
C1 C2 1.50(2) . ?
C1 C3 1.53(2) . ?
C1 S4 1.861(14) . ?
C5 C7 1.49(2) . ?
C5 C6 1.53(2) . ?
C5 C8 1.52(2) . ?
C5 S1 1.875(16) . ?
C9 C10 1.49(3) . ?
C9 C11 1.51(3) . ?
C9 C12 1.53(3) . ?
C9 S3 1.873(18) . ?
C13 C15 1.49(2) . ?
C13 C16 1.53(2) . ?
C13 C14 1.53(2) . ?
C13 S5 1.854(14) . ?
C17 C20 1.49(2) . ?
C17 C19 1.53(2) . ?
C17 C18 1.52(2) . ?
C17 S9 1.867(14) . ?
C21 C24 1.49(2) . ?
C21 C23 1.51(2) . ?
C21 C22 1.52(2) . ?
C21 S10 1.846(15) . ?
C25 C28 1.51(2) . ?
C25 C27 1.52(2) . ?
C25 C26 1.53(2) . ?
C25 S7 1.877(14) . ?
C29 C32 1.49(3) . ?
C29 C31 1.50(2) . ?
C29 C30 1.52(2) . ?
C29 S6 1.910(15) . ?
C33 C35A 1.468(18) . ?
C33 C36A 1.498(18) . ?
C33 C34A 1.498(18) . ?
C33 C35 1.524(19) . ?
C33 C36 1.531(19) . ?
C33 C34 1.543(19) . ?
C33 S2 1.802(16) . ?
C37 N2 1.16(2) . ?
C37 C38 1.45(3) . ?
C39 N1 1.10(2) . ?
C39 C40 1.51(3) . ?
C110 O2 1.454(17) . ?
Ag1 S1 2.352(4) . ?
Ag1 S2 2.370(4) . ?
Ag1 Ag9A 2.74(4) 2_666 ?
Ag1 Ag3 2.9709(19) . ?
Ag1 Ag9 3.0651(17) 2_666 ?
Ag1 Ag2 3.3716(18) . ?
Ag2 S1 2.325(4) . ?
Ag2 S4 2.329(4) . ?
Ag2 A11A 2.861(3) 2_666 ?
Ag2 Ag6 2.9634(19) . ?
Ag2 Ag11 3.154(2) 2_666 ?
Ag3 S3 2.368(4) . ?
Ag3 S2 2.387(4) . ?
Ag3 Ag4A 2.76(4) . ?
Ag3 Ag4 3.1492(18) . ?
Ag4 S6 2.506(4) . ?
Ag4 S7 2.540(4) . ?
Ag4 S8 2.776(4) 2_666 ?
Ag4 Ag7 3.0446(19) . ?
Ag4 Ag5 3.1392(13) . ?
Ag4 Ag11 3.157(2) . ?
Ag4 Ag9 3.2413(18) 2_666 ?
Ag4A S6 2.13(4) . ?
Ag4A A10A 2.14(4) 2_666 ?
Ag4A S8 2.24(4) 2_666 ?
Ag4A Ag7 2.99(4) . ?
Ag4A Ag5 3.03(4) . ?
Ag5 S8 2.251(4) 2_666 ?
Ag5 S8 2.251(4) . ?
Ag5 A10A 3.006(6) 2_666 ?
Ag5 A10A 3.006(6) . ?
Ag5 A11A 3.008(3) 2_666 ?
Ag5 A11A 3.008(3) . ?
Ag5 Ag4A 3.03(4) 2_666 ?
Ag5 Ag9A 3.04(4) 2_666 ?
Ag5 Ag9A 3.04(4) . ?
Ag5 Ag11 3.039(2) 2_666 ?
Ag5 Ag11 3.039(2) . ?
Ag6 S3 2.357(4) . ?
Ag6 S4 2.373(4) . ?
Ag6 A10A 2.848(6) 2_666 ?
Ag6 Ag10 3.148(2) 2_666 ?
Ag7 S6 2.378(4) . ?
Ag7 S10 2.382(4) . ?
Ag7 A11A 3.116(3) . ?
Ag7 Ag8 3.1211(16) . ?
Ag7 Ag11 3.207(3) . ?
Ag8 S9 2.385(4) . ?
Ag8 S5 2.399(4) . ?
Ag8 Ag9A 2.96(4) . ?
Ag8 A10A 3.041(6) 2_666 ?
Ag8 Ag9 3.0600(17) . ?
Ag8 Ag10 3.159(2) 2_666 ?
Ag9 S9 2.531(4) . ?
Ag9 S7 2.565(4) 2_666 ?
Ag9 S8 2.774(4) . ?
Ag9 Ag1 3.0650(17) 2_666 ?
Ag9 Ag10 3.239(2) 2_666 ?
Ag9 Ag4 3.2413(18) 2_666 ?
Ag9A A11A 2.09(4) . ?
Ag9A S9 2.12(4) . ?
Ag9A S8 2.30(4) . ?
Ag9A Ag1 2.74(4) 2_666 ?
Ag10 S7 2.532(4) . ?
Ag10 S5 2.553(5) 2_666 ?
Ag10 S8 2.677(4) . ?
Ag10 Ag11 3.075(3) . ?
Ag10 Ag6 3.148(2) 2_666 ?
Ag10 Ag8 3.159(2) 2_666 ?
Ag10 Ag9 3.239(2) 2_666 ?
A10A Ag4A 2.14(4) 2_666 ?
A10A S5 2.141(7) 2_666 ?
A10A S8 2.235(7) . ?
A10A Ag6 2.848(6) 2_666 ?
A10A Ag8 3.041(6) 2_666 ?
Ag11 S7 2.550(4) . ?
Ag11 S10 2.609(5) . ?
Ag11 S8 2.704(4) . ?
Ag11 Ag2 3.154(2) 2_666 ?
A11A S10 2.210(5) . ?
A11A S8 2.295(5) . ?
A11A Ag2 2.861(3) 2_666 ?
Cu1 N2 1.930(15) . ?
Cu1 S6 2.311(4) . ?
Cu1 S5 2.330(4) . ?
Cu1 S3 2.374(4) . ?
Cu2 N1 1.930(16) . ?
Cu2 S10 2.310(5) . ?
Cu2 S9 2.336(4) . ?
Cu2 S1 2.426(4) 2_666 ?
F7 P2 1.584(16) . ?
F8 P2 1.552(16) . ?
F9 P2 1.547(16) . ?
F10 P2 1.563(16) . ?
F11 P2 1.586(16) . ?
F12 P2 1.586(16) . ?
P1 F5 1.532(17) . ?
P1 F3 1.514(17) . ?
P1 F1A 1.506(15) . ?
P1 F4 1.513(17) . ?
P1 F4A 1.508(15) . ?
P1 F3A 1.537(15) . ?
P1 F5A 1.546(14) . ?
P1 F2A 1.545(15) . ?
P1 F2 1.521(17) . ?
P1 F1 1.524(17) . ?
P1 F6A 1.575(14) . ?
P1 F6 1.567(17) . ?
S1 Cu2 2.426(4) 2_666 ?
S5 A10A 2.141(7) 2_666 ?
S5 Ag10 2.553(4) 2_666 ?
S7 Ag9 2.565(4) 2_666 ?
S8 Ag4A 2.24(4) 2_666 ?
S8 Ag4 2.776(4) 2_666 ?
