# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1986441'
loop_
_audit_author_name
_audit_author_address
'Chen-Wei Liu'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2020-05-05 deposited with the CCDC.	2020-07-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H170 Ag7 Cu7 O24 P12 S24'
_chemical_formula_weight         3761.02

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'
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'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.0789(3)
_cell_length_b                   23.2720(6)
_cell_length_c                   22.9115(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.1810(5)
_cell_angle_gamma                90
_cell_volume                     6902.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9971
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      28.97

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_F_000             3780
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    2.578
_shelx_estimated_absorpt_T_min   0.730
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6606
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            76857
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.697
_diffrn_reflns_theta_max         28.983
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18305
_reflns_number_gt                16034
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0296P)²+11.4055P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18305
_refine_ls_number_parameters     736
_refine_ls_number_restraints     273
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_ref         0.0679
_refine_ls_wR_factor_gt          0.0640
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.15164(2) 0.22933(2) 0.77826(2) 0.02166(4) Uani 1 1 d . . . . .
Ag2 Ag 0.14408(2) 0.26333(2) 0.90510(2) 0.02192(4) Uani 1 1 d . . . . .
Ag3 Ag 0.06424(2) 0.34334(2) 0.80596(2) 0.02204(4) Uani 1 1 d . . . . .
Ag4 Ag -0.06989(2) 0.23808(2) 0.82670(2) 0.02083(5) Uani 0.5 1 d . . P D .
Cu4 Cu -0.06989(2) 0.23808(2) 0.82670(2) 0.02083(5) Uani 0.5 1 d . . P D .
Cu1 Cu -0.05221(2) 0.27301(2) 0.71392(2) 0.02007(6) Uani 1 1 d . . . . .
Cu2 Cu 0.06484(2) 0.15078(2) 0.86356(2) 0.01682(6) Uani 1 1 d . . . . .
Cu3 Cu -0.05193(2) 0.32770(2) 0.90483(2) 0.01884(6) Uani 1 1 d . . . . .
H1M H 0.064(3) 0.2632(17) 0.8316(16) 0.051(11) Uani 1 1 d . . . . .
C1 C -0.21616(19) 0.06210(11) 0.68621(10) 0.0222(5) Uani 1 1 d . U . . .
H1 H -0.1809 0.0350 0.7164 0.027 Uiso 1 1 calc R U . . .
C2 C -0.2379(2) 0.03214(12) 0.62740(11) 0.0305(6) Uani 1 1 d . U . . .
H2A H -0.2746 0.0584 0.5982 0.046 Uiso 1 1 calc R U . . .
H2B H -0.2806 -0.0019 0.6311 0.046 Uiso 1 1 calc R U . . .
H2C H -0.1726 0.0204 0.6147 0.046 Uiso 1 1 calc R U . . .
C3 C -0.3134(2) 0.08543(15) 0.70666(13) 0.0356(6) Uani 1 1 d . U . . .
H3A H -0.2958 0.1034 0.7455 0.053 Uiso 1 1 calc R U . . .
H3B H -0.3622 0.0539 0.7094 0.053 Uiso 1 1 calc R U . . .
H3C H -0.3451 0.1141 0.6783 0.053 Uiso 1 1 calc R U . . .
C4 C 0.0656(2) 0.04651(12) 0.67866(11) 0.0268(5) Uani 1 1 d . U . . .
H4 H 0.0295 0.0643 0.6416 0.032 Uiso 1 1 calc R U . . .
C5 C 0.0461(2) -0.01742(13) 0.67808(15) 0.0382(7) Uani 1 1 d . U . . .
H5A H 0.0843 -0.0348 0.7136 0.057 Uiso 1 1 calc R U . . .
H5B H 0.0693 -0.0344 0.6431 0.057 Uiso 1 1 calc R U . . .
H5C H -0.0280 -0.0246 0.6771 0.057 Uiso 1 1 calc R U . . .
C6 C 0.1793(2) 0.06091(13) 0.68592(13) 0.0343(6) Uani 1 1 d . U . . .
H6A H 0.1881 0.1027 0.6873 0.051 Uiso 1 1 calc R U . . .
H6B H 0.2096 0.0453 0.6525 0.051 Uiso 1 1 calc R U . . .
H6C H 0.2139 0.0440 0.7227 0.051 Uiso 1 1 calc R U . . .
C7 C -0.1613(2) 0.10111(11) 0.96062(11) 0.0257(5) Uani 1 1 d . U . . .
H7 H -0.1581 0.1122 0.9188 0.031 Uiso 1 1 calc R U . . .
C8 C -0.0908(3) 0.05070(12) 0.97740(15) 0.0390(7) Uani 1 1 d . U . . .
H8A H -0.0196 0.0614 0.9733 0.059 Uiso 1 1 calc R U . . .
H8B H -0.1124 0.0181 0.9514 0.059 Uiso 1 1 calc R U . . .
H8C H -0.0944 0.0398 1.0184 0.059 Uiso 1 1 calc R U . . .
C9 C -0.2719(2) 0.08971(13) 0.96879(13) 0.0351(6) Uani 1 1 d . U . . .
H9A H -0.2756 0.0823 1.0105 0.053 Uiso 1 1 calc R U . . .
H9B H -0.2977 0.0561 0.9454 0.053 Uiso 1 1 calc R U . . .
H9C H -0.3143 0.1233 0.9558 0.053 Uiso 1 1 calc R U . . .
C10 C 0.0403(2) 0.22975(12) 1.08671(11) 0.0267(5) Uani 1 1 d . U . . .
H10 H 0.1078 0.2267 1.0712 0.032 Uiso 0.85 1 calc R U P A 1
H10B H 0.0627 0.1898 1.0788 0.032 Uiso 0.15 1 calc R U P B 2
C11 C 0.0235(3) 0.17747(15) 1.12006(15) 0.0400(8) Uani 0.85 1 d . U P C 1
H11A H -0.0423 0.1805 1.1356 0.060 Uiso 0.85 1 calc R U P C 1
H11B H 0.0799 0.1731 1.1528 0.060 Uiso 0.85 1 calc R U P C 1
H11C H 0.0218 0.1440 1.0940 0.060 Uiso 0.85 1 calc R U P C 1
C12 C 0.0391(3) 0.28472(15) 1.12280(15) 0.0397(8) Uani 0.85 1 d . U P C 1
H12A H 0.0464 0.3180 1.0975 0.060 Uiso 0.85 1 calc R U P C 1
H12B H 0.0966 0.2840 1.1553 0.060 Uiso 0.85 1 calc R U P C 1
H12C H -0.0263 0.2874 1.1388 0.060 Uiso 0.85 1 calc R U P C 1
C11B C 0.1406(18) 0.2598(9) 1.0978(9) 0.0400(8) Uani 0.15 1 d . U P C 2
H11D H 0.1758 0.2566 1.0629 0.060 Uiso 0.15 1 calc R U P C 2
H11E H 0.1834 0.2423 1.1317 0.060 Uiso 0.15 1 calc R U P C 2
H11F H 0.1291 0.3004 1.1061 0.060 Uiso 0.15 1 calc R U P C 2
C12B C -0.0066(19) 0.2210(9) 1.1450(8) 0.0397(8) Uani 0.15 1 d . U P C 2
H12D H -0.0368 0.2573 1.1561 0.060 Uiso 0.15 1 calc R U P C 2
H12E H 0.0479 0.2090 1.1765 0.060 Uiso 0.15 1 calc R U P C 2
H12F H -0.0603 0.1914 1.1390 0.060 Uiso 0.15 1 calc R U P C 2
C19 C 0.19539(19) 0.26425(10) 0.57609(11) 0.0223(5) Uani 1 1 d . U . . .
H19 H 0.2572 0.2898 0.5781 0.027 Uiso 1 1 calc R U . . .
C20 C 0.2286(3) 0.20457(12) 0.59575(15) 0.0384(7) Uani 1 1 d . U . . .
H20A H 0.2627 0.2057 0.6367 0.058 Uiso 1 1 calc R U . . .
H20B H 0.2767 0.1896 0.5704 0.058 Uiso 1 1 calc R U . . .
H20C H 0.1678 0.1795 0.5930 0.058 Uiso 1 1 calc R U . . .
C21 C 0.1361(2) 0.26536(14) 0.51468(12) 0.0345(6) Uani 1 1 d . U . . .
H21A H 0.0755 0.2403 0.5130 0.052 Uiso 1 1 calc R U . . .
H21B H 0.1805 0.2518 0.4866 0.052 Uiso 1 1 calc R U . . .
H21C H 0.1136 0.3047 0.5046 0.052 Uiso 1 1 calc R U . . .
C22 C 0.2351(2) 0.43505(10) 0.66655(11) 0.0230(5) Uani 1 1 d . U . . .
H22 H 0.2298 0.4300 0.7094 0.028 Uiso 1 1 calc R U . . .
C23 C 0.3459(2) 0.44632(14) 0.65905(14) 0.0376(7) Uani 1 1 d . U . . .
H23A H 0.3897 0.4155 0.6780 0.056 Uiso 1 1 calc R U . . .
H23B H 0.3680 0.4832 0.6774 0.056 Uiso 1 1 calc R U . . .
H23C H 0.3521 0.4476 0.6169 0.056 Uiso 1 1 calc R U . . .
C24 C 0.1618(2) 0.48153(12) 0.64120(15) 0.0374(7) Uani 1 1 d . U . . .
H24A H 0.1681 0.4871 0.5995 0.056 Uiso 1 1 calc R U . . .
H24B H 0.1788 0.5175 0.6627 0.056 Uiso 1 1 calc R U . . .
H24C H 0.0908 0.4703 0.6450 0.056 Uiso 1 1 calc R U . . .
C25 C 0.3911(2) 0.13219(12) 0.99917(11) 0.0283(5) Uani 1 1 d . U . . .
H25 H 0.4400 0.1637 0.9923 0.034 Uiso 1 1 calc R U . . .
C26 C 0.3281(3) 0.1510(2) 1.04572(13) 0.0571(11) Uani 1 1 d . U . . .
H26A H 0.2893 0.1858 1.0326 0.086 Uiso 1 1 calc R U . . .
H26B H 0.3740 0.1590 1.0824 0.086 Uiso 1 1 calc R U . . .
H26C H 0.2797 0.1203 1.0525 0.086 Uiso 1 1 calc R U . . .
C27 C 0.4507(2) 0.07808(15) 1.01376(14) 0.0405(7) Uani 1 1 d . U . . .
H27A H 0.4030 0.0468 1.0196 0.061 Uiso 1 1 calc R U . . .
H27B H 0.4995 0.0837 1.0499 0.061 Uiso 1 1 calc R U . . .
H27C H 0.4889 0.0682 0.9813 0.061 Uiso 1 1 calc R U . . .
C28 C 0.47178(19) 0.16220(11) 0.81727(11) 0.0225(5) Uani 1 1 d . U . . .
H28 H 0.4345 0.1989 0.8056 0.027 Uiso 1 1 calc R U . . .
C29 C 0.5850(2) 0.17461(12) 0.83587(12) 0.0280(5) Uani 1 1 d . U . . .
H29A H 0.5930 0.2014 0.8692 0.042 Uiso 1 1 calc R U . . .
H29B H 0.6141 0.1918 0.8028 0.042 Uiso 1 1 calc R U . . .
H29C H 0.6214 0.1387 0.8476 0.042 Uiso 1 1 calc R U . . .
C30 C 0.4521(2) 0.11960(14) 0.76711(13) 0.0357(6) Uani 1 1 d . U . . .
H30A H 0.4872 0.0833 0.7789 0.054 Uiso 1 1 calc R U . . .
H30B H 0.4787 0.1351 0.7324 0.054 Uiso 1 1 calc R U . . .
H30C H 0.3777 0.1128 0.7575 0.054 Uiso 1 1 calc R U . . .
C31 C 0.3638(2) 0.38172(16) 0.98854(13) 0.0434(8) Uani 1 1 d . U . . .
H31 H 0.3635 0.3630 0.9492 0.052 Uiso 1 1 calc R U . . .
C32 C 0.3621(3) 0.33626(17) 1.03487(15) 0.0565(11) Uani 1 1 d . U . . .
H32A H 0.3603 0.3545 1.0732 0.085 Uiso 1 1 calc R U . . .
H32B H 0.4243 0.3125 1.0367 0.085 Uiso 1 1 calc R U . . .
H32C H 0.3008 0.3121 1.0249 0.085 Uiso 1 1 calc R U . . .
C33 C 0.4547(3) 0.4221(2) 1.00010(17) 0.0648(12) Uani 1 1 d . U . . .
H33A H 0.4487 0.4519 0.9695 0.097 Uiso 1 1 calc R U . . .
H33B H 0.5189 0.4006 0.9995 0.097 Uiso 1 1 calc R U . . .
H33C H 0.4556 0.4402 1.0388 0.097 Uiso 1 1 calc R U . . .
C34 C 0.1361(2) 0.52112(10) 0.93853(11) 0.0246(5) Uani 1 1 d . U . . .
H34 H 0.2005 0.5186 0.9198 0.029 Uiso 1 1 calc R U . . .
C35 C 0.1567(3) 0.55589(13) 0.99406(14) 0.0420(7) Uani 1 1 d . U . . .
H35A H 0.0948 0.5563 1.0136 0.063 Uiso 1 1 calc R U . . .
H35B H 0.1747 0.5953 0.9844 0.063 Uiso 1 1 calc R U . . .
H35C H 0.2142 0.5387 1.0204 0.063 Uiso 1 1 calc R U . . .
C36 C 0.0499(3) 0.54466(15) 0.89499(19) 0.0610(12) Uani 1 1 d . U . . .
H36A H 0.0387 0.5196 0.8603 0.092 Uiso 1 1 calc R U . . .
H36B H 0.0681 0.5833 0.8830 0.092 Uiso 1 1 calc R U . . .
H36C H -0.0134 0.5465 0.9132 0.092 Uiso 1 1 calc R U . . .
O1 O -0.14794(14) 0.11056(8) 0.67901(7) 0.0230(3) Uani 1 1 d . U . . .
O2 O 0.02244(13) 0.06923(7) 0.72998(7) 0.0206(3) Uani 1 1 d . U . . .
O3 O -0.12664(14) 0.14946(7) 0.99979(7) 0.0210(3) Uani 1 1 d . U . . .
O4 O -0.04293(14) 0.23871(7) 1.03724(7) 0.0225(3) Uani 1 1 d . U . . .
O7 O 0.12346(13) 0.28698(7) 0.61435(7) 0.0192(3) Uani 1 1 d . U . . .
O8 O 0.20432(13) 0.38146(7) 0.63471(7) 0.0198(3) Uani 1 1 d . U . . .
O9 O 0.31971(13) 0.12190(7) 0.94431(7) 0.0203(3) Uani 1 1 d . U . . .
O10 O 0.43272(12) 0.13779(7) 0.86897(7) 0.0197(3) Uani 1 1 d . U . . .
O11 O 0.27238(14) 0.41844(8) 0.98684(8) 0.0271(4) Uani 1 1 d . U . . .
O12 O 0.10519(13) 0.46338(7) 0.95482(8) 0.0231(3) Uani 1 1 d . U . . .
P1 P -0.04908(5) 0.12440(3) 0.72481(2) 0.01708(11) Uani 1 1 d . . . . .
P2 P -0.05961(5) 0.20067(2) 0.97996(2) 0.01614(11) Uani 1 1 d . . . . .
P4 P 0.15814(4) 0.32919(2) 0.66713(2) 0.01600(11) Uani 1 1 d . . . . .
P5 P 0.32640(4) 0.15917(2) 0.88762(2) 0.01511(10) Uani 1 1 d . . . . .
P6 P 0.16957(5) 0.40862(3) 0.94214(3) 0.01921(11) Uani 1 1 d . . . . .
S1 S 0.01746(5) 0.18920(3) 0.68707(2) 0.02174(12) Uani 1 1 d . . . . .
S2 S -0.08851(4) 0.13289(2) 0.80638(2) 0.01816(10) Uani 1 1 d . . . . .
S3 S 0.07611(4) 0.17148(2) 0.96088(2) 0.01683(10) Uani 1 1 d . . . . .
S4 S -0.14979(5) 0.24673(3) 0.91815(3) 0.02248(12) Uani 1 1 d . . . . .
S7 S 0.02452(4) 0.35642(3) 0.69268(2) 0.01870(11) Uani 1 1 d . . . . .
S8 S 0.26444(5) 0.29779(3) 0.72896(3) 0.02248(12) Uani 1 1 d . . . . .
S9 S 0.21133(4) 0.13047(2) 0.82646(2) 0.01606(10) Uani 1 1 d . . . . .
S10 S 0.33331(5) 0.24292(2) 0.90312(3) 0.02114(11) Uani 1 1 d . . . . .
S11 S 0.20457(5) 0.40463(3) 0.86109(3) 0.02470(12) Uani 1 1 d . . . . .
S12 S 0.09018(5) 0.34330(3) 0.97284(3) 0.02353(12) Uani 1 1 d . . . . .
S5 S -0.20439(6) 0.27332(3) 0.75034(4) 0.01708(15) Uani 0.8 1 d . . P D 1
S6 S -0.10900(9) 0.39282(5) 0.83098(4) 0.01775(18) Uani 0.8 1 d . . P D 1
P3 P -0.21784(6) 0.35682(3) 0.77091(3) 0.01413(14) Uani 0.8 1 d . . P D 1
O5 O -0.3283(2) 0.36769(10) 0.78924(10) 0.0173(5) Uani 0.8 1 d . U P D 1
O6 O -0.22488(16) 0.39032(9) 0.71090(9) 0.0188(4) Uani 0.8 1 d . U P D 1
C13 C -0.3714(4) 0.3328(2) 0.83296(15) 0.0186(8) Uani 0.8 1 d . U P D 1
H13 H -0.3345 0.2951 0.8377 0.022 Uiso 0.8 1 calc R U P D 1
C14 C -0.4827(6) 0.3231(4) 0.8067(2) 0.0284(11) Uani 0.8 1 d . U P D 1
H14A H -0.5187 0.3601 0.8019 0.043 Uiso 0.8 1 calc R U P D 1
H14B H -0.5163 0.2985 0.8331 0.043 Uiso 0.8 1 calc R U P D 1
H14C H -0.4854 0.3044 0.7682 0.043 Uiso 0.8 1 calc R U P D 1
C15 C -0.3583(7) 0.3642(4) 0.8915(2) 0.0296(10) Uani 0.8 1 d . U P D 1
H15A H -0.2846 0.3704 0.9051 0.044 Uiso 0.8 1 calc R U P D 1
H15B H -0.3880 0.3411 0.9207 0.044 Uiso 0.8 1 calc R U P D 1
H15C H -0.3937 0.4013 0.8867 0.044 Uiso 0.8 1 calc R U P D 1
C16 C -0.2434(3) 0.45267(12) 0.70777(13) 0.0224(6) Uani 0.8 1 d . U P D 1
H16 H -0.2369 0.4685 0.7487 0.027 Uiso 0.8 1 calc R U P D 1
C17 C -0.3541(3) 0.46175(16) 0.67713(17) 0.0347(8) Uani 0.8 1 d . U P D 1
H17A H -0.3624 0.4437 0.6381 0.052 Uiso 0.8 1 calc R U P D 1
H17B H -0.3682 0.5030 0.6728 0.052 Uiso 0.8 1 calc R U P D 1
H17C H -0.4026 0.4444 0.7009 0.052 Uiso 0.8 1 calc R U P D 1
C18 C -0.1604(4) 0.47861(16) 0.67650(19) 0.0395(9) Uani 0.8 1 d . U P D 1
H18A H -0.0925 0.4708 0.6991 0.059 Uiso 0.8 1 calc R U P D 1
H18B H -0.1709 0.5202 0.6730 0.059 Uiso 0.8 1 calc R U P D 1
H18C H -0.1640 0.4617 0.6371 0.059 Uiso 0.8 1 calc R U P D 1
S5B S -0.2134(3) 0.29387(15) 0.75057(18) 0.01708(15) Uani 0.2 1 d . . P D 2
S6B S -0.0985(4) 0.3997(2) 0.8463(2) 0.01775(18) Uani 0.2 1 d . . P D 2
P3B P -0.2140(3) 0.37364(16) 0.78534(16) 0.01413(14) Uani 0.2 1 d . . P D 2
O5B O -0.3238(10) 0.3814(5) 0.8057(5) 0.0173(5) Uani 0.2 1 d . U P D 2
O6B O -0.2144(6) 0.4216(3) 0.7369(4) 0.0188(4) Uani 0.2 1 d . U P D 2
C13B C -0.368(2) 0.3402(11) 0.8473(9) 0.0186(8) Uani 0.2 1 d . U P D 2
H13B H -0.3254 0.3042 0.8498 0.022 Uiso 0.2 1 calc R U P D 2
C14B C -0.476(3) 0.3253(19) 0.8210(13) 0.0284(11) Uani 0.2 1 d . U P D 2
H14D H -0.5087 0.3032 0.8496 0.043 Uiso 0.2 1 calc R U P D 2
H14E H -0.4741 0.3022 0.7853 0.043 Uiso 0.2 1 calc R U P D 2
H14F H -0.5149 0.3606 0.8109 0.043 Uiso 0.2 1 calc R U P D 2
C15B C -0.358(3) 0.3649(19) 0.9044(12) 0.0296(10) Uani 0.2 1 d . U P D 2
H15D H -0.4000 0.3998 0.9032 0.044 Uiso 0.2 1 calc R U P D 2
H15E H -0.2853 0.3746 0.9175 0.044 Uiso 0.2 1 calc R U P D 2
H15F H -0.3814 0.3373 0.9319 0.044 Uiso 0.2 1 calc R U P D 2
C16B C -0.2688(10) 0.4198(5) 0.6762(5) 0.0224(6) Uani 0.2 1 d . U P D 2
H16B H -0.2622 0.3804 0.6597 0.027 Uiso 0.2 1 calc R U P D 2
C17B C -0.3795(13) 0.4336(7) 0.6750(7) 0.0347(8) Uani 0.2 1 d . U P D 2
H17D H -0.4127 0.4032 0.6953 0.052 Uiso 0.2 1 calc R U P D 2
H17E H -0.4130 0.4363 0.6340 0.052 Uiso 0.2 1 calc R U P D 2
H17F H -0.3863 0.4703 0.6950 0.052 Uiso 0.2 1 calc R U P D 2
C18B C -0.2094(14) 0.4625(6) 0.6426(8) 0.0395(9) Uani 0.2 1 d . U P D 2
H18D H -0.2115 0.5008 0.6604 0.059 Uiso 0.2 1 calc R U P D 2
H18E H -0.2413 0.4642 0.6013 0.059 Uiso 0.2 1 calc R U P D 2
H18F H -0.1374 0.4500 0.6447 0.059 Uiso 0.2 1 calc R U P D 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ag1 S8 2.5426(6) . ?
Ag1 S9 2.6223(6) . ?
Ag1 S1 2.6970(6) . ?
Ag1 Ag3 2.9925(3) . ?
Ag1 Cu2 3.0135(3) . ?
Ag1 Ag2 3.0270(3) . ?
Ag1 Cu1 3.0324(4) . ?
Ag1 Ag4 3.2531(3) . ?
Ag1 H1M 1.96(4) . ?
Ag2 S10 2.5268(7) . ?
Ag2 S12 2.5848(6) . ?
Ag2 S3 2.7049(6) . ?
Ag2 Cu2 2.9256(3) . ?
Ag2 Cu3 2.9685(3) . ?
Ag2 Ag3 3.0070(3) . ?
Ag2 Ag4 3.1579(3) . ?
Ag2 H1M 1.85(3) . ?
Ag3 S11 2.5177(7) . ?
Ag3 S7 2.5913(6) . ?
Ag3 S6 2.6755(12) . ?
Ag3 S6B 2.768(6) . ?
Ag3 Cu1 2.9208(3) . ?
Ag3 Cu3 2.9246(3) . ?
Ag3 Ag4 3.0890(3) . ?
Ag3 H1M 1.95(4) . ?
Ag4 S5 2.4399(9) . ?
Ag4 S4 2.4789(7) . ?
Ag4 S2 2.4972(6) . ?
Ag4 S5B 2.705(4) . ?
Ag4 Cu3 2.7368(4) . ?
Ag4 Cu2 2.7426(4) . ?
Ag4 Cu1 2.7499(4) . ?
Ag4 H1M 1.83(4) . ?
Cu1 S5 2.2651(9) . ?
Cu1 S7 2.2696(7) . ?
Cu1 S1 2.2743(7) . ?
Cu1 S5B 2.426(4) . ?
Cu2 S9 2.2540(6) . ?
Cu2 S3 2.2654(6) . ?
Cu2 S2 2.2726(6) . ?
Cu3 S6B 2.178(6) . ?
Cu3 S12 2.2782(7) . ?
Cu3 S6 2.3146(12) . ?
Cu3 S4 2.3222(7) . ?
C1 O1 1.462(3) . ?
C1 C2 1.508(3) . ?
C1 C3 1.517(4) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 O2 1.473(3) . ?
C4 C5 1.510(4) . ?
C4 C6 1.510(4) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 O3 1.470(3) . ?
C7 C9 1.508(4) . ?
C7 C8 1.508(4) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.470(4) . ?
C10 O4 1.471(3) . ?
C10 C11B 1.48(2) . ?
C10 C12 1.524(4) . ?
C10 C12B 1.56(2) . ?
C10 H10 1.0000 . ?
C10 H10B 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C19 O7 1.472(3) . ?
C19 C20 1.505(4) . ?
C19 C21 1.507(4) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O8 1.472(3) . ?
C22 C24 1.506(4) . ?
C22 C23 1.507(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O9 1.475(3) . ?
C25 C27 1.494(4) . ?
C25 C26 1.503(4) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 O10 1.469(3) . ?
C28 C29 1.509(4) . ?
C28 C30 1.512(4) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 O11 1.465(3) . ?
C31 C32 1.501(6) . ?
C31 C33 1.510(5) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 O12 1.467(3) . ?
C34 C36 1.499(4) . ?
C34 C35 1.500(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
O1 P1 1.5782(17) . ?
O2 P1 1.5829(18) . ?
O3 P2 1.5839(17) . ?
O4 P2 1.5725(17) . ?
O7 P4 1.5738(17) . ?
O8 P4 1.5885(17) . ?
O9 P5 1.5746(17) . ?
O10 P5 1.5916(17) . ?
O11 P6 1.5866(18) . ?
O12 P6 1.5770(18) . ?
P1 S1 1.9983(8) . ?
P1 S2 2.0179(8) . ?
P2 S3 2.0061(8) . ?
P2 S4 2.0174(8) . ?
P4 S8 1.9783(8) . ?
P4 S7 2.0222(8) . ?
P5 S10 1.9809(8) . ?
P5 S9 2.0185(8) . ?
P6 S11 1.9769(8) . ?
P6 S12 2.0228(9) . ?
S5 P3 2.0131(11) . ?
S6 P3 2.0162(11) . ?
P3 O6 1.572(2) . ?
P3 O5 1.582(3) . ?
O5 C13 1.462(5) . ?
O6 C16 1.471(3) . ?
C13 C14 1.512(8) . ?
C13 C15 1.516(6) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.509(5) . ?
C16 C17 1.531(5) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
S5B P3B 2.021(5) . ?
S6B P3B 2.000(6) . ?
P3B O6B 1.573(9) . ?
P3B O5B 1.582(13) . ?
O5B C13B 1.52(3) . ?
O6B C16B 1.470(14) . ?
C13B C15B 1.42(3) . ?
C13B C14B 1.50(4) . ?
C13B H13B 1.0000 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16B C17B 1.48(2) . ?
C16B C18B 1.534(18) . ?
C16B H16B 1.0000 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?

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
S8 Ag1 S9 125.45(2) . . ?
S8 Ag1 S1 103.152(19) . . ?
S9 Ag1 S1 98.296(19) . . ?
S8 Ag1 Ag3 78.576(15) . . ?
S9 Ag1 Ag3 142.038(14) . . ?
S1 Ag1 Ag3 104.197(15) . . ?
S8 Ag1 Cu2 164.608(16) . . ?
S9 Ag1 Cu2 46.511(13) . . ?
S1 Ag1 Cu2 91.646(14) . . ?
Ag3 Ag1 Cu2 102.113(8) . . ?
S8 Ag1 Ag2 111.284(16) . . ?
S9 Ag1 Ag2 82.733(13) . . ?
S1 Ag1 Ag2 136.698(15) . . ?
Ag3 Ag1 Ag2 59.938(6) . . ?
Cu2 Ag1 Ag2 57.939(7) . . ?
S8 Ag1 Cu1 95.715(15) . . ?
S9 Ag1 Cu1 133.415(15) . . ?
S1 Ag1 Cu1 46.319(15) . . ?
Ag3 Ag1 Cu1 57.993(7) . . ?
Cu2 Ag1 Cu1 97.607(9) . . ?
Ag2 Ag1 Cu1 103.449(9) . . ?
S8 Ag1 Ag4 135.531(16) . . ?
S9 Ag1 Ag4 97.903(14) . . ?
S1 Ag1 Ag4 76.884(14) . . ?
Ag3 Ag1 Ag4 59.109(6) . . ?
Cu2 Ag1 Ag4 51.736(7) . . ?
Ag2 Ag1 Ag4 60.250(6) . . ?
Cu1 Ag1 Ag4 51.744(7) . . ?
S8 Ag1 H1M 117.0(12) . . ?
S9 Ag1 H1M 104.9(11) . . ?
S1 Ag1 H1M 104.4(11) . . ?
Ag3 Ag1 H1M 40.1(11) . . ?
Cu2 Ag1 H1M 62.1(11) . . ?
Ag2 Ag1 H1M 36.3(10) . . ?
Cu1 Ag1 H1M 67.3(10) . . ?
Ag4 Ag1 H1M 29.7(11) . . ?
S10 Ag2 S12 119.85(2) . . ?
S10 Ag2 S3 104.391(19) . . ?
S12 Ag2 S3 98.582(19) . . ?
S10 Ag2 Cu2 97.378(15) . . ?
S12 Ag2 Cu2 136.525(17) . . ?
S3 Ag2 Cu2 47.249(13) . . ?
S10 Ag2 Cu3 160.496(16) . . ?
S12 Ag2 Cu3 47.825(16) . . ?
S3 Ag2 Cu3 93.323(14) . . ?
Cu2 Ag2 Cu3 100.677(10) . . ?
S10 Ag2 Ag3 109.788(16) . . ?
S12 Ag2 Ag3 84.991(14) . . ?
S3 Ag2 Ag3 138.085(14) . . ?
Cu2 Ag2 Ag3 103.872(9) . . ?
Cu3 Ag2 Ag3 58.601(7) . . ?
S10 Ag2 Ag1 76.572(15) . . ?
S12 Ag2 Ag1 144.452(15) . . ?
S3 Ag2 Ag1 107.751(13) . . ?
Cu2 Ag2 Ag1 60.799(7) . . ?
Cu3 Ag2 Ag1 106.027(9) . . ?
Ag3 Ag2 Ag1 59.462(6) . . ?
S10 Ag2 Ag4 138.225(15) . . ?
S12 Ag2 Ag4 100.379(17) . . ?
S3 Ag2 Ag4 78.314(13) . . ?
Cu2 Ag2 Ag4 53.426(8) . . ?
Cu3 Ag2 Ag4 52.957(8) . . ?
Ag3 Ag2 Ag4 60.080(7) . . ?
Ag1 Ag2 Ag4 63.426(7) . . ?
S10 Ag2 H1M 114.4(11) . . ?
S12 Ag2 H1M 112.2(12) . . ?
S3 Ag2 H1M 104.3(12) . . ?
Cu2 Ag2 H1M 64.8(12) . . ?
Cu3 Ag2 H1M 67.7(12) . . ?
Ag3 Ag2 H1M 39.0(12) . . ?
Ag1 Ag2 H1M 38.7(12) . . ?
Ag4 Ag2 H1M 30.8(12) . . ?
S11 Ag3 S7 117.64(2) . . ?
S11 Ag3 S6 103.16(2) . . ?
S7 Ag3 S6 96.25(2) . . ?
S11 Ag3 S6B 95.99(10) . . ?
S7 Ag3 S6B 102.97(11) . . ?
S11 Ag3 Cu1 161.388(17) . . ?
S7 Ag3 Cu1 48.172(15) . . ?
S6 Ag3 Cu1 91.455(18) . . ?
S6B Ag3 Cu1 99.19(10) . . ?
S11 Ag3 Cu3 95.959(16) . . ?
S7 Ag3 Cu3 137.581(16) . . ?
S6 Ag3 Cu3 48.57(2) . . ?
S6B Ag3 Cu3 44.89(12) . . ?
Cu1 Ag3 Cu3 102.386(10) . . ?
S11 Ag3 Ag1 109.607(17) . . ?
S7 Ag3 Ag1 85.413(14) . . ?
S6 Ag3 Ag1 141.97(2) . . ?
S6B Ag3 Ag1 145.67(12) . . ?
Cu1 Ag3 Ag1 61.689(8) . . ?
Cu3 Ag3 Ag1 108.067(9) . . ?
S11 Ag3 Ag2 79.736(16) . . ?
S7 Ag3 Ag2 145.888(15) . . ?
S6 Ag3 Ag2 108.56(2) . . ?
S6B Ag3 Ag2 104.01(12) . . ?
Cu1 Ag3 Ag2 106.723(9) . . ?
Cu3 Ag3 Ag2 60.041(7) . . ?
Ag1 Ag3 Ag2 60.600(6) . . ?
S11 Ag3 Ag4 139.594(16) . . ?
S7 Ag3 Ag4 102.122(15) . . ?
S6 Ag3 Ag4 77.97(3) . . ?
S6B Ag3 Ag4 81.01(12) . . ?
Cu1 Ag3 Ag4 54.374(8) . . ?
Cu3 Ag3 Ag4 54.060(8) . . ?
Ag1 Ag3 Ag4 64.654(7) . . ?
Ag2 Ag3 Ag4 62.384(7) . . ?
S11 Ag3 H1M 115.0(10) . . ?
S7 Ag3 H1M 113.8(11) . . ?
S6 Ag3 H1M 107.9(11) . . ?
S6B Ag3 H1M 108.4(11) . . ?
Cu1 Ag3 H1M 70.0(11) . . ?
Cu3 Ag3 H1M 67.9(11) . . ?
Ag1 Ag3 H1M 40.2(11) . . ?
Ag2 Ag3 H1M 36.7(10) . . ?
Ag4 Ag3 H1M 34.0(11) . . ?
S5 Ag4 S4 103.36(3) . . ?
S5 Ag4 S2 98.89(2) . . ?
S4 Ag4 S2 101.28(2) . . ?
S4 Ag4 S5B 99.72(9) . . ?
S2 Ag4 S5B 108.06(8) . . ?
S5 Ag4 Cu3 101.47(2) . . ?
S4 Ag4 Cu3 52.594(16) . . ?
S2 Ag4 Cu3 150.000(16) . . ?
S5B Ag4 Cu3 92.47(8) . . ?
S5 Ag4 Cu2 146.71(2) . . ?
S4 Ag4 Cu2 97.447(16) . . ?
S2 Ag4 Cu2 51.145(15) . . ?
S5B Ag4 Cu2 155.56(8) . . ?
Cu3 Ag4 Cu2 111.812(11) . . ?
S5 Ag4 Cu1 51.33(2) . . ?
S4 Ag4 Cu1 150.705(18) . . ?
S2 Ag4 Cu1 97.676(15) . . ?
S5B Ag4 Cu1 52.81(9) . . ?
Cu3 Ag4 Cu1 112.239(12) . . ?
Cu2 Ag4 Cu1 111.843(11) . . ?
S5 Ag4 Ag3 89.45(2) . . ?
S4 Ag4 Ag3 112.493(17) . . ?
S2 Ag4 Ag3 142.292(16) . . ?
S5B Ag4 Ag3 82.94(8) . . ?
Cu3 Ag4 Ag3 59.903(8) . . ?
Cu2 Ag4 Ag3 106.305(10) . . ?
Cu1 Ag4 Ag3 59.695(8) . . ?
S5 Ag4 Ag2 146.67(2) . . ?
S4 Ag4 Ag2 87.146(16) . . ?
S2 Ag4 Ag2 110.090(16) . . ?
S5B Ag4 Ag2 138.99(8) . . ?
Cu3 Ag4 Ag2 59.970(8) . . ?
Cu2 Ag4 Ag2 58.948(8) . . ?
Cu1 Ag4 Ag2 107.053(10) . . ?
Ag3 Ag4 Ag2 57.536(6) . . ?
S5 Ag4 Ag1 111.26(2) . . ?
S4 Ag4 Ag1 142.793(17) . . ?
S2 Ag4 Ag1 86.733(15) . . ?
S5B Ag4 Ag1 112.32(9) . . ?
Cu3 Ag4 Ag1 105.852(10) . . ?
Cu2 Ag4 Ag1 59.623(8) . . ?
Cu1 Ag4 Ag1 59.988(8) . . ?
Ag3 Ag4 Ag1 56.237(6) . . ?
Ag2 Ag4 Ag1 56.324(6) . . ?
S5 Ag4 H1M 121.4(11) . . ?
S4 Ag4 H1M 115.8(11) . . ?
S2 Ag4 H1M 113.1(12) . . ?
S5B Ag4 H1M 117.0(11) . . ?
Cu3 Ag4 H1M 74.0(12) . . ?
Cu2 Ag4 H1M 69.7(12) . . ?
Cu1 Ag4 H1M 75.9(11) . . ?
Ag3 Ag4 H1M 36.7(12) . . ?
Ag2 Ag4 H1M 31.3(11) . . ?
Ag1 Ag4 H1M 32.0(12) . . ?
S5 Cu1 S7 120.98(3) . . ?
S5 Cu1 S1 120.62(3) . . ?
S7 Cu1 S1 117.98(2) . . ?
S7 Cu1 S5B 109.60(9) . . ?
S1 Cu1 S5B 131.79(9) . . ?
S5 Cu1 Ag4 57.25(2) . . ?
S7 Cu1 Ag4 123.588(19) . . ?
S1 Cu1 Ag4 95.228(18) . . ?
S5B Cu1 Ag4 62.65(10) . . ?
S5 Cu1 Ag3 97.33(2) . . ?
S7 Cu1 Ag3 58.297(16) . . ?
S1 Cu1 Ag3 119.210(19) . . ?
S5B Cu1 Ag3 91.57(9) . . ?
Ag4 Cu1 Ag3 65.931(9) . . ?
S5 Cu1 Ag1 125.44(2) . . ?
S7 Cu1 Ag1 90.344(17) . . ?
S1 Cu1 Ag1 59.047(17) . . ?
S5B Cu1 Ag1 130.22(10) . . ?
Ag4 Cu1 Ag1 68.268(9) . . ?
Ag3 Cu1 Ag1 60.318(8) . . ?
S9 Cu2 S3 118.43(2) . . ?
S9 Cu2 S2 118.16(2) . . ?
S3 Cu2 S2 122.33(2) . . ?
S9 Cu2 Ag4 125.631(18) . . ?
S3 Cu2 Ag4 95.425(17) . . ?
S2 Cu2 Ag4 58.838(17) . . ?
S9 Cu2 Ag2 91.699(17) . . ?
S3 Cu2 Ag2 61.253(16) . . ?
S2 Cu2 Ag2 126.461(19) . . ?
Ag4 Cu2 Ag2 67.626(9) . . ?
S9 Cu2 Ag1 57.570(16) . . ?
S3 Cu2 Ag1 122.114(19) . . ?
S2 Cu2 Ag1 96.907(17) . . ?
Ag4 Cu2 Ag1 68.641(9) . . ?
Ag2 Cu2 Ag1 61.262(8) . . ?
S6B Cu3 S12 115.34(13) . . ?
S12 Cu3 S6 122.85(3) . . ?
S6B Cu3 S4 126.44(14) . . ?
S12 Cu3 S4 116.79(2) . . ?
S6 Cu3 S4 120.06(3) . . ?
S6B Cu3 Ag4 101.11(12) . . ?
S12 Cu3 Ag4 123.68(2) . . ?
S6 Cu3 Ag4 91.84(2) . . ?
S4 Cu3 Ag4 57.989(18) . . ?
S6B Cu3 Ag3 63.73(15) . . ?
S12 Cu3 Ag3 92.679(18) . . ?
S6 Cu3 Ag3 60.08(3) . . ?
S4 Cu3 Ag3 124.02(2) . . ?
Ag4 Cu3 Ag3 66.037(9) . . ?
S6B Cu3 Ag2 123.70(16) . . ?
S12 Cu3 Ag2 57.230(17) . . ?
S6 Cu3 Ag2 121.36(3) . . ?
S4 Cu3 Ag2 94.714(18) . . ?
Ag4 Cu3 Ag2 67.073(9) . . ?
Ag3 Cu3 Ag2 61.357(8) . . ?
O1 C1 C2 107.23(18) . . ?
O1 C1 C3 108.1(2) . . ?
C2 C1 C3 112.4(2) . . ?
O1 C1 H1 109.7 . . ?
C2 C1 H1 109.7 . . ?
C3 C1 H1 109.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C5 106.1(2) . . ?
O2 C4 C6 108.40(19) . . ?
C5 C4 C6 112.5(2) . . ?
O2 C4 H4 109.9 . . ?
C5 C4 H4 109.9 . . ?
C6 C4 H4 109.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C9 106.1(2) . . ?
O3 C7 C8 108.4(2) . . ?
C9 C7 C8 113.2(2) . . ?
O3 C7 H7 109.7 . . ?
C9 C7 H7 109.7 . . ?
C8 C7 H7 109.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 O4 111.7(2) . . ?
O4 C10 C11B 127.4(8) . . ?
C11 C10 C12 113.5(3) . . ?
O4 C10 C12 103.6(2) . . ?
O4 C10 C12B 109.9(9) . . ?
C11B C10 C12B 111.2(12) . . ?
C11 C10 H10 109.3 . . ?
O4 C10 H10 109.3 . . ?
C12 C10 H10 109.3 . . ?
O4 C10 H10B 101.3 . . ?
C11B C10 H10B 101.3 . . ?
C12B C10 H10B 101.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11B H11D 109.5 . . ?
C10 C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C10 C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C10 C12B H12D 109.5 . . ?
C10 C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10 C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
O7 C19 C20 109.6(2) . . ?
O7 C19 C21 105.2(2) . . ?
C20 C19 C21 112.5(2) . . ?
O7 C19 H19 109.8 . . ?
C20 C19 H19 109.8 . . ?
C21 C19 H19 109.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O8 C22 C24 107.7(2) . . ?
O8 C22 C23 106.9(2) . . ?
C24 C22 C23 113.6(2) . . ?
O8 C22 H22 109.5 . . ?
C24 C22 H22 109.5 . . ?
C23 C22 H22 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O9 C25 C27 107.5(2) . . ?
O9 C25 C26 107.9(2) . . ?
C27 C25 C26 114.1(3) . . ?
O9 C25 H25 109.1 . . ?
C27 C25 H25 109.1 . . ?
C26 C25 H25 109.1 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 C29 106.6(2) . . ?
O10 C28 C30 108.5(2) . . ?
C29 C28 C30 113.2(2) . . ?
O10 C28 H28 109.5 . . ?
C29 C28 H28 109.5 . . ?
C30 C28 H28 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O11 C31 C32 109.7(3) . . ?
O11 C31 C33 105.1(3) . . ?
C32 C31 C33 113.9(3) . . ?
O11 C31 H31 109.3 . . ?
C32 C31 H31 109.3 . . ?
C33 C31 H31 109.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O12 C34 C36 107.2(2) . . ?
O12 C34 C35 107.5(2) . . ?
C36 C34 C35 113.3(3) . . ?
O12 C34 H34 109.6 . . ?
C36 C34 H34 109.6 . . ?
C35 C34 H34 109.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1 O1 P1 122.54(15) . . ?
C4 O2 P1 121.40(16) . . ?
C7 O3 P2 122.42(14) . . ?
C10 O4 P2 124.27(15) . . ?
C19 O7 P4 122.89(15) . . ?
C22 O8 P4 120.84(14) . . ?
C25 O9 P5 120.72(16) . . ?
C28 O10 P5 120.86(14) . . ?
C31 O11 P6 123.12(16) . . ?
C34 O12 P6 121.32(15) . . ?
O1 P1 O2 107.68(9) . . ?
O1 P1 S1 103.43(7) . . ?
O2 P1 S1 110.81(7) . . ?
O1 P1 S2 110.04(7) . . ?
O2 P1 S2 103.67(7) . . ?
S1 P1 S2 120.75(4) . . ?
O4 P2 O3 101.59(9) . . ?
O4 P2 S3 110.52(8) . . ?
O3 P2 S3 110.53(7) . . ?
O4 P2 S4 106.53(7) . . ?
O3 P2 S4 108.00(7) . . ?
S3 P2 S4 118.30(3) . . ?
O7 P4 O8 101.88(9) . . ?
O7 P4 S8 114.57(7) . . ?
O8 P4 S8 110.02(7) . . ?
O7 P4 S7 104.57(7) . . ?
O8 P4 S7 107.29(7) . . ?
S8 P4 S7 117.18(4) . . ?
O9 P5 O10 101.68(9) . . ?
O9 P5 S10 113.62(7) . . ?
O10 P5 S10 109.66(7) . . ?
O9 P5 S9 105.48(7) . . ?
O10 P5 S9 107.68(7) . . ?
S10 P5 S9 117.42(4) . . ?
O12 P6 O11 100.97(10) . . ?
O12 P6 S11 114.33(7) . . ?
O11 P6 S11 108.96(8) . . ?
O12 P6 S12 103.25(7) . . ?
O11 P6 S12 108.28(8) . . ?
S11 P6 S12 119.36(4) . . ?
P1 S1 Cu1 108.31(3) . . ?
P1 S1 Ag1 101.63(3) . . ?
Cu1 S1 Ag1 74.635(18) . . ?
P1 S2 Cu2 103.35(3) . . ?
P1 S2 Ag4 103.75(3) . . ?
Cu2 S2 Ag4 70.017(18) . . ?
P2 S3 Cu2 110.53(3) . . ?
P2 S3 Ag2 101.29(3) . . ?
Cu2 S3 Ag2 71.498(17) . . ?
P2 S4 Cu3 104.20(3) . . ?
P2 S4 Ag4 105.99(3) . . ?
Cu3 S4 Ag4 69.417(18) . . ?
P4 S7 Cu1 102.75(3) . . ?
P4 S7 Ag3 101.23(3) . . ?
Cu1 S7 Ag3 73.531(18) . . ?
P4 S8 Ag1 99.01(3) . . ?
P5 S9 Cu2 104.98(3) . . ?
P5 S9 Ag1 98.62(3) . . ?
Cu2 S9 Ag1 75.920(18) . . ?
P5 S10 Ag2 99.69(3) . . ?
P6 S11 Ag3 104.37(3) . . ?
P6 S12 Cu3 106.93(3) . . ?
P6 S12 Ag2 97.75(3) . . ?
Cu3 S12 Ag2 74.945(19) . . ?
P3 S5 Cu1 101.54(4) . . ?
P3 S5 Ag4 103.57(4) . . ?
Cu1 S5 Ag4 71.42(3) . . ?
P3 S6 Cu3 110.48(5) . . ?
P3 S6 Ag3 102.24(4) . . ?
Cu3 S6 Ag3 71.34(3) . . ?
O6 P3 O5 102.18(13) . . ?
O6 P3 S5 105.67(9) . . ?
O5 P3 S5 109.28(10) . . ?
O6 P3 S6 109.80(9) . . ?
O5 P3 S6 109.59(10) . . ?
S5 P3 S6 118.96(6) . . ?
C13 O5 P3 123.3(3) . . ?
C16 O6 P3 121.38(18) . . ?
O5 C13 C14 104.7(4) . . ?
O5 C13 C15 109.5(4) . . ?
C14 C13 C15 113.9(5) . . ?
O5 C13 H13 109.5 . . ?
C14 C13 H13 109.5 . . ?
C15 C13 H13 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C18 107.1(3) . . ?
O6 C16 C17 107.3(3) . . ?
C18 C16 C17 115.1(3) . . ?
O6 C16 H16 109.1 . . ?
C18 C16 H16 109.1 . . ?
C17 C16 H16 109.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P3B S5B Cu1 111.9(2) . . ?
P3B S5B Ag4 103.2(2) . . ?
Cu1 S5B Ag4 64.54(10) . . ?
P3B S6B Cu3 108.3(3) . . ?
P3B S6B Ag3 99.5(2) . . ?
Cu3 S6B Ag3 71.38(17) . . ?
O6B P3B O5B 102.4(6) . . ?
O6B P3B S6B 101.8(4) . . ?
O5B P3B S6B 112.8(5) . . ?
O6B P3B S5B 111.9(4) . . ?
O5B P3B S5B 106.0(5) . . ?
S6B P3B S5B 120.6(3) . . ?
C13B O5B P3B 123.4(13) . . ?
C16B O6B P3B 126.9(7) . . ?
C15B C13B C14B 115(3) . . ?
C15B C13B O5B 109(2) . . ?
C14B C13B O5B 108(2) . . ?
C15B C13B H13B 108.1 . . ?
C14B C13B H13B 108.1 . . ?
O5B C13B H13B 108.1 . . ?
C13B C14B H14D 109.5 . . ?
C13B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C13B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C13B C15B H15D 109.5 . . ?
C13B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C13B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
O6B C16B C17B 110.5(11) . . ?
O6B C16B C18B 104.2(11) . . ?
C17B C16B C18B 114.5(12) . . ?
O6B C16B H16B 109.1 . . ?
C17B C16B H16B 109.1 . . ?
C18B C16B H16B 109.1 . . ?
C16B C17B H17D 109.5 . . ?
C16B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C16B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C16B C18B H18D 109.5 . . ?
C16B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C16B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?

_refine_diff_density_max         1.674
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.095



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2001049'
loop_
_audit_author_name
_audit_author_address
'Chen-Wei Liu'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2020-05-05 deposited with the CCDC.	2020-07-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H85 Ag3 Cu4 O12 P6 S12'
_chemical_formula_weight         1858.34

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'
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'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.1365(3)
_cell_length_b                   23.3343(5)
_cell_length_c                   22.8775(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.1499(5)
_cell_angle_gamma                90
_cell_volume                     6941.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9974
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.10

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_F_000             3744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.576
_shelx_estimated_absorpt_T_min   0.731
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6923
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49150
_diffrn_reflns_av_unetI/netI     0.0202
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.692
_diffrn_reflns_theta_max         27.109
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15299
_reflns_number_gt                13471
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0458P)²+23.8453P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15299
_refine_ls_number_parameters     686
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.0974
_refine_ls_wR_factor_gt          0.0931
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.85700(2) 0.23749(2) 0.59559(2) 0.03011(7) Uani 1 1 d D . . . .
Ag2 Ag 0.84954(2) 0.27131(2) 0.72210(2) 0.02988(7) Uani 1 1 d D . . . .
Ag3 Ag 0.93733(2) 0.15773(2) 0.69441(2) 0.03083(8) Uani 1 1 d D . . . .
C1 C 0.8649(3) -0.01941(16) 0.56314(18) 0.0313(8) Uani 1 1 d . . . . .
H1 H 0.801704 -0.016648 0.582747 0.038 Uiso 1 1 calc R U . . .
C2 C 0.8421(5) -0.0541(2) 0.5075(2) 0.0586(15) Uani 1 1 d . . . . .
H2A H 0.781831 -0.038110 0.482685 0.088 Uiso 1 1 calc R U . . .
H2B H 0.828016 -0.093889 0.517546 0.088 Uiso 1 1 calc R U . . .
H2C H 0.901440 -0.052966 0.485983 0.088 Uiso 1 1 calc R U . . .
C3 C 0.9516(6) -0.0433(2) 0.6057(3) 0.081(2) Uani 1 1 d . . . . .
H3A H 1.009806 -0.051986 0.584696 0.122 Uiso 1 1 calc R U . . .
H3B H 0.928961 -0.078432 0.623436 0.122 Uiso 1 1 calc R U . . .
H3C H 0.972795 -0.015064 0.636751 0.122 Uiso 1 1 calc R U . . .
C4 C 0.6377(4) 0.1186(3) 0.5128(2) 0.0526(14) Uani 1 1 d . . . . .
H4 H 0.637644 0.136988 0.552246 0.063 Uiso 1 1 calc R U . . .
C5 C 0.5483(4) 0.0767(4) 0.5015(3) 0.083(2) Uani 1 1 d . . . . .
H5A H 0.549611 0.057590 0.463482 0.124 Uiso 1 1 calc R U . . .
H5B H 0.483374 0.097591 0.500649 0.124 Uiso 1 1 calc R U . . .
H5C H 0.554411 0.048062 0.533093 0.124 Uiso 1 1 calc R U . . .
C6 C 0.6387(5) 0.1642(3) 0.4670(2) 0.069(2) Uani 1 1 d . . . . .
H6A H 0.702947 0.185973 0.474863 0.104 Uiso 1 1 calc R U . . .
H6B H 0.580231 0.190015 0.468163 0.104 Uiso 1 1 calc R U . . .
H6C H 0.633612 0.146413 0.427843 0.104 Uiso 1 1 calc R U . . .
C7 C 0.7659(3) 0.06590(16) 0.83276(18) 0.0313(8) Uani 1 1 d . . . . .
H7 H 0.769861 0.071486 0.789809 0.038 Uiso 1 1 calc R U . . .
C8 C 0.6562(4) 0.0541(2) 0.8412(2) 0.0522(13) Uani 1 1 d . . . . .
H8A H 0.650723 0.053930 0.883481 0.078 Uiso 1 1 calc R U . . .
H8B H 0.635154 0.016689 0.824143 0.078 Uiso 1 1 calc R U . . .
H8C H 0.611472 0.083986 0.821501 0.078 Uiso 1 1 calc R U . . .
C9 C 0.8392(4) 0.0196(2) 0.8569(3) 0.0538(13) Uani 1 1 d . . . . .
H9A H 0.909815 0.031731 0.854332 0.081 Uiso 1 1 calc R U . . .
H9B H 0.823944 -0.015561 0.833772 0.081 Uiso 1 1 calc R U . . .
H9C H 0.831659 0.012219 0.898206 0.081 Uiso 1 1 calc R U . . .
C10 C 0.8056(3) 0.23517(17) 0.92506(17) 0.0293(8) Uani 1 1 d . . . . .
H10 H 0.743809 0.209793 0.922342 0.035 Uiso 1 1 calc R U . . .
C11 C 0.8642(4) 0.2325(2) 0.9864(2) 0.0459(12) Uani 1 1 d . . . . .
H11A H 0.886016 0.192968 0.995533 0.069 Uiso 1 1 calc R U . . .
H11B H 0.819973 0.245548 1.014815 0.069 Uiso 1 1 calc R U . . .
H11C H 0.924893 0.257315 0.988821 0.069 Uiso 1 1 calc R U . . .
C12 C 0.7734(4) 0.2948(2) 0.9062(2) 0.0506(13) Uani 1 1 d . . . . .
H12A H 0.834438 0.319195 0.907605 0.076 Uiso 1 1 calc R U . . .
H12B H 0.728090 0.310221 0.932940 0.076 Uiso 1 1 calc R U . . .
H12C H 0.736660 0.293957 0.865855 0.076 Uiso 1 1 calc R U . . .
C13 C 0.5304(3) 0.33783(18) 0.68350(18) 0.0302(8) Uani 1 1 d . . . . .
H13 H 0.566760 0.300923 0.694641 0.036 Uiso 1 1 calc R U . . .
C14 C 0.5504(4) 0.3795(2) 0.7343(2) 0.0497(12) Uani 1 1 d . . . . .
H14A H 0.624710 0.384644 0.745173 0.075 Uiso 1 1 calc R U . . .
H14B H 0.521018 0.364354 0.768215 0.075 Uiso 1 1 calc R U . . .
H14C H 0.518475 0.416413 0.722492 0.075 Uiso 1 1 calc R U . . .
C15 C 0.4179(3) 0.3264(2) 0.6648(2) 0.0399(10) Uani 1 1 d . . . . .
H15A H 0.382213 0.362588 0.654373 0.060 Uiso 1 1 calc R U . . .
H15B H 0.388937 0.308268 0.697453 0.060 Uiso 1 1 calc R U . . .
H15C H 0.409319 0.300746 0.630554 0.060 Uiso 1 1 calc R U . . .
C16 C 0.6106(3) 0.3682(2) 0.50111(18) 0.0377(10) Uani 1 1 d . . . . .
H16 H 0.562501 0.336425 0.507771 0.045 Uiso 1 1 calc R U . . .
C17 C 0.5500(4) 0.4225(3) 0.4877(2) 0.0580(14) Uani 1 1 d . . . . .
H17A H 0.511154 0.430961 0.520242 0.087 Uiso 1 1 calc R U . . .
H17B H 0.502194 0.417614 0.451087 0.087 Uiso 1 1 calc R U . . .
H17C H 0.597098 0.454192 0.483131 0.087 Uiso 1 1 calc R U . . .
C18 C 0.6730(5) 0.3505(3) 0.4548(2) 0.076(2) Uani 1 1 d . . . . .
H18A H 0.713888 0.383092 0.444391 0.115 Uiso 1 1 calc R U . . .
H18B H 0.627269 0.337546 0.419703 0.115 Uiso 1 1 calc R U . . .
H18C H 0.719065 0.319099 0.469799 0.115 Uiso 1 1 calc R U . . .
C19 C 0.9604(3) 0.27105(19) 0.41379(18) 0.0355(9) Uani 1 1 d . . . . .
H19 H 0.892983 0.273547 0.429223 0.043 Uiso 1 1 calc R U . . .
C20 C 0.9628(6) 0.2169(3) 0.3774(3) 0.073(2) Uani 1 1 d . . . . .
H20A H 1.030085 0.213424 0.363876 0.110 Uiso 1 1 calc R U . . .
H20B H 0.908892 0.218769 0.343142 0.110 Uiso 1 1 calc R U . . .
H20C H 0.951101 0.183591 0.401626 0.110 Uiso 1 1 calc R U . . .
C21 C 0.9757(6) 0.3228(3) 0.3804(3) 0.0707(19) Uani 1 1 d . . . . .
H21A H 0.979203 0.356109 0.406724 0.106 Uiso 1 1 calc R U . . .
H21B H 0.918088 0.327492 0.348509 0.106 Uiso 1 1 calc R U . . .
H21C H 1.040001 0.319603 0.363584 0.106 Uiso 1 1 calc R U . . .
C22 C 1.1607(3) 0.39955(17) 0.54019(18) 0.0341(9) Uani 1 1 d . . . . .
H22 H 1.157269 0.388581 0.582126 0.041 Uiso 1 1 calc R U . . .
C23 C 1.2702(4) 0.4110(2) 0.5323(2) 0.0492(12) Uani 1 1 d . . . . .
H23A H 1.312127 0.377110 0.544112 0.074 Uiso 1 1 calc R U . . .
H23B H 1.296313 0.443710 0.556899 0.074 Uiso 1 1 calc R U . . .
H23C H 1.273864 0.419806 0.490760 0.074 Uiso 1 1 calc R U . . .
C24 C 1.0910(4) 0.44967(19) 0.5235(3) 0.0536(13) Uani 1 1 d . . . . .
H24A H 1.096696 0.461438 0.482963 0.080 Uiso 1 1 calc R U . . .
H24B H 1.110936 0.481624 0.550485 0.080 Uiso 1 1 calc R U . . .
H24C H 1.019759 0.438664 0.526110 0.080 Uiso 1 1 calc R U . . .
C25 C 1.2436(4) 0.04843(18) 0.7906(2) 0.0382(10) Uani 1 1 d . . . . .
H25 H 1.238189 0.032586 0.749652 0.046 Uiso 1 1 calc R U . . .
C26 C 1.1616(6) 0.0223(2) 0.8216(3) 0.0709(19) Uani 1 1 d . . . . .
H26A H 1.170517 0.035241 0.862800 0.106 Uiso 1 1 calc R U . . .
H26B H 1.166884 -0.019551 0.820483 0.106 Uiso 1 1 calc R U . . .
H26C H 1.093775 0.034205 0.801877 0.106 Uiso 1 1 calc R U . . .
C27 C 1.3535(5) 0.0403(2) 0.8221(3) 0.0615(16) Uani 1 1 d . . . . .
H27A H 1.400636 0.064355 0.803260 0.092 Uiso 1 1 calc R U . . .
H27B H 1.373474 -0.000032 0.819543 0.092 Uiso 1 1 calc R U . . .
H27C H 1.356833 0.051235 0.863681 0.092 Uiso 1 1 calc R U . . .
C28 C 1.3702(3) 0.16690(17) 0.66402(19) 0.0315(9) Uani 1 1 d . . . . .
H28 H 1.333877 0.204648 0.659469 0.038 Uiso 1 1 calc R U . . .
C29 C 1.4807(3) 0.1766(2) 0.6895(3) 0.0469(12) Uani 1 1 d . . . . .
H29A H 1.483998 0.195870 0.727755 0.070 Uiso 1 1 calc R U . . .
H29B H 1.513919 0.200510 0.662502 0.070 Uiso 1 1 calc R U . . .
H29C H 1.516240 0.139606 0.694825 0.070 Uiso 1 1 calc R U . . .
C30 C 1.3565(4) 0.1364(2) 0.6054(2) 0.0441(11) Uani 1 1 d . . . . .
H30A H 1.390194 0.098910 0.609949 0.066 Uiso 1 1 calc R U . . .
H30B H 1.387465 0.159314 0.576633 0.066 Uiso 1 1 calc R U . . .
H30C H 1.283021 0.131275 0.591604 0.066 Uiso 1 1 calc R U . . .
C31 C 0.9364(3) 0.45374(18) 0.82227(18) 0.0336(9) Uani 1 1 d . . . . .
H31 H 0.972934 0.436462 0.859420 0.040 Uiso 1 1 calc R U . . .
C32 C 0.8230(4) 0.4395(2) 0.8159(2) 0.0462(12) Uani 1 1 d . . . . .
H32A H 0.787682 0.456625 0.779477 0.069 Uiso 1 1 calc R U . . .
H32B H 0.793877 0.454759 0.849819 0.069 Uiso 1 1 calc R U . . .
H32C H 0.814089 0.397779 0.814268 0.069 Uiso 1 1 calc R U . . .
C33 C 0.9553(4) 0.5174(2) 0.8220(2) 0.0505(13) Uani 1 1 d . . . . .
H33A H 1.028572 0.524592 0.821143 0.076 Uiso 1 1 calc R U . . .
H33B H 0.934836 0.534468 0.857706 0.076 Uiso 1 1 calc R U . . .
H33C H 0.914889 0.534443 0.787055 0.076 Uiso 1 1 calc R U . . .
C34 C 1.2176(3) 0.43625(17) 0.81401(17) 0.0295(8) Uani 1 1 d . . . . .
H34 H 1.183914 0.463064 0.783048 0.035 Uiso 1 1 calc R U . . .
C35 C 1.3138(4) 0.4114(3) 0.7947(2) 0.0510(13) Uani 1 1 d . . . . .
H35A H 1.341415 0.381360 0.822479 0.077 Uiso 1 1 calc R U . . .
H35B H 1.365177 0.441704 0.794039 0.077 Uiso 1 1 calc R U . . .
H35C H 1.297036 0.394908 0.755101 0.077 Uiso 1 1 calc R U . . .
C36 C 1.2397(4) 0.4671(2) 0.87216(19) 0.0407(10) Uani 1 1 d . . . . .
H36A H 1.174730 0.478574 0.885199 0.061 Uiso 1 1 calc R U . . .
H36B H 1.281269 0.501196 0.867533 0.061 Uiso 1 1 calc R U . . .
H36C H 1.277327 0.441541 0.901651 0.061 Uiso 1 1 calc R U . . .
Cu4 Cu 1.07023(3) 0.26337(2) 0.67348(2) 0.01518(8) Uani 1 1 d D . . . .
Cu5 Cu 0.93539(3) 0.34925(2) 0.63736(2) 0.02328(10) Uani 1 1 d . . . . .
Cu6 Cu 1.05166(4) 0.22804(2) 0.78529(2) 0.02577(10) Uani 1 1 d . . . . .
Cu7 Cu 1.05092(3) 0.17444(2) 0.59617(2) 0.02533(10) Uani 1 1 d . . . . .
O1 O 0.8960(2) 0.03796(11) 0.54665(12) 0.0282(6) Uani 1 1 d . . . . .
O2 O 0.7301(2) 0.08268(13) 0.51425(12) 0.0327(6) Uani 1 1 d . . . . .
O3 O 0.7976(2) 0.11885(11) 0.86513(11) 0.0266(5) Uani 1 1 d . . . . .
O4 O 0.8774(2) 0.21302(11) 0.88633(11) 0.0251(5) Uani 1 1 d . . . . .
O5 O 0.56963(19) 0.36252(11) 0.63215(12) 0.0261(5) Uani 1 1 d . . . . .
O6 O 0.6818(2) 0.37861(11) 0.55649(11) 0.0269(5) Uani 1 1 d . . . . .
O7 O 1.0433(2) 0.26279(11) 0.46334(11) 0.0303(6) Uani 1 1 d . . . . .
O8 O 1.1265(2) 0.35148(11) 0.50137(11) 0.0274(6) Uani 1 1 d . . . . .
O9 O 1.2243(2) 0.11004(12) 0.78766(12) 0.0326(6) Uani 1 1 d . . . . .
O10 O 1.3266(2) 0.13237(12) 0.70809(13) 0.0303(6) Uani 1 1 d . . . . .
O11 O 0.9784(2) 0.43062(11) 0.77100(11) 0.0255(5) Uani 1 1 d . . . . .
O12 O 1.1478(2) 0.38905(12) 0.82199(11) 0.0296(6) Uani 1 1 d . . . . .
P1 P 0.83228(7) 0.09275(4) 0.55902(4) 0.02380(19) Uani 1 1 d . . . . .
P2 P 0.84321(7) 0.17137(4) 0.83295(4) 0.02076(17) Uani 1 1 d . . . . .
P3 P 0.67546(7) 0.34154(4) 0.61315(4) 0.01992(17) Uani 1 1 d . . . . .
P4 P 1.05937(7) 0.30062(4) 0.52086(4) 0.02112(18) Uani 1 1 d . . . . .
P5 P 1.21685(7) 0.14327(4) 0.72705(4) 0.02530(19) Uani 1 1 d . . . . .
P6 P 1.04935(7) 0.37551(4) 0.77607(4) 0.02105(18) Uani 1 1 d . . . . .
S1 S 0.79757(8) 0.09735(5) 0.64022(4) 0.0328(2) Uani 1 1 d . . . . .
S2 S 0.91135(8) 0.15758(4) 0.52794(4) 0.02729(19) Uani 1 1 d . . . . .
S3 S 0.73715(7) 0.20309(4) 0.77142(4) 0.0294(2) Uani 1 1 d . . . . .
S4 S 0.97653(7) 0.14497(4) 0.80720(4) 0.02347(17) Uani 1 1 d . . . . .
S5 S 0.66903(8) 0.25803(4) 0.59777(4) 0.02798(19) Uani 1 1 d . . . . .
S6 S 0.78998(7) 0.37040(4) 0.67427(4) 0.02103(16) Uani 1 1 d . . . . .
S7 S 0.92402(7) 0.32961(4) 0.53974(4) 0.02208(17) Uani 1 1 d . . . . .
S8 S 1.14813(7) 0.25431(4) 0.58303(4) 0.02544(18) Uani 1 1 d . . . . .
S9 S 1.10763(7) 0.10793(4) 0.66654(4) 0.02661(19) Uani 1 1 d . . . . .
S10 S 1.20377(7) 0.22607(4) 0.74875(4) 0.02789(19) Uani 1 1 d . . . . .
S11 S 0.98340(8) 0.31088(4) 0.81403(4) 0.02552(18) Uani 1 1 d . . . . .
S12 S 1.08835(7) 0.36668(4) 0.69424(4) 0.02176(17) Uani 1 1 d . . . . .
H1M H 0.9524(6) 0.2385(4) 0.6732(4) 0.066(18) Uiso 1 1 d D . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ag1 S5 2.5228(10) . ?
Ag1 S2 2.5875(10) . ?
Ag1 S7 2.7106(9) . ?
Ag1 Cu5 2.9147(5) . ?
Ag1 Cu7 2.9403(5) . ?
Ag1 Ag3 3.0020(4) . ?
Ag1 Ag2 3.0148(4) . ?
Ag1 Cu4 3.1577(5) . ?
Ag2 S3 2.5417(10) . ?
Ag2 S6 2.6292(9) . ?
Ag2 S11 2.7053(9) . ?
Ag2 Cu5 2.9929(5) . ?
Ag2 Ag3 2.9938(4) . ?
Ag2 Cu6 3.0118(6) . ?
Ag3 S1 2.4993(11) . ?
Ag3 S4 2.5759(9) . ?
Ag3 S9 2.6770(10) . ?
Ag3 Cu7 2.8950(5) . ?
Ag3 Cu6 2.8958(5) . ?
Ag3 Cu4 3.0970(5) . ?
C1 O1 1.465(4) . ?
C1 C3 1.497(6) . ?
C1 C2 1.503(6) . ?
C4 O2 1.471(5) . ?
C4 C6 1.494(9) . ?
C4 C5 1.521(9) . ?
C7 O3 1.470(4) . ?
C7 C9 1.500(6) . ?
C7 C8 1.505(6) . ?
C10 O4 1.476(4) . ?
C10 C12 1.500(6) . ?
C10 C11 1.503(6) . ?
C13 O5 1.466(4) . ?
C13 C15 1.503(6) . ?
C13 C14 1.509(6) . ?
C16 O6 1.484(4) . ?
C16 C18 1.487(7) . ?
C16 C17 1.505(7) . ?
C19 C21 1.458(7) . ?
C19 O7 1.469(5) . ?
C19 C20 1.516(7) . ?
C22 O8 1.461(5) . ?
C22 C23 1.500(7) . ?
C22 C24 1.501(6) . ?
C25 O9 1.460(5) . ?
C25 C26 1.501(7) . ?
C25 C27 1.532(7) . ?
C28 O10 1.469(4) . ?
C28 C29 1.503(6) . ?
C28 C30 1.505(6) . ?
C31 O11 1.468(4) . ?
C31 C33 1.505(6) . ?
C31 C32 1.512(6) . ?
C34 O12 1.461(4) . ?
C34 C36 1.504(5) . ?
C34 C35 1.512(6) . ?
Cu4 S10 2.4381(10) . ?
Cu4 S8 2.4442(10) . ?
Cu4 S12 2.4619(9) . ?
Cu4 Cu7 2.7152(6) . ?
Cu4 Cu5 2.7241(6) . ?
Cu4 Cu6 2.7312(6) . ?
Cu5 S6 2.2501(9) . ?
Cu5 S7 2.2640(9) . ?
Cu5 S12 2.2705(10) . ?
Cu6 S4 2.2634(10) . ?
Cu6 S11 2.2671(10) . ?
Cu6 S10 2.2733(11) . ?
Cu7 S2 2.2675(11) . ?
Cu7 S9 2.2836(10) . ?
Cu7 S8 2.3029(10) . ?
O1 P1 1.575(3) . ?
O2 P1 1.587(3) . ?
O3 P2 1.590(3) . ?
O4 P2 1.575(3) . ?
O5 P3 1.591(3) . ?
O6 P3 1.570(3) . ?
O7 P4 1.574(3) . ?
O8 P4 1.580(3) . ?
O9 P5 1.579(3) . ?
O10 P5 1.584(3) . ?
O11 P6 1.583(3) . ?
O12 P6 1.578(3) . ?
P1 S1 1.9774(13) . ?
P1 S2 2.0206(14) . ?
P2 S3 1.9784(13) . ?
P2 S4 2.0216(13) . ?
P3 S5 1.9798(13) . ?
P3 S6 2.0187(12) . ?
P4 S7 2.0059(12) . ?
P4 S8 2.0199(13) . ?
P5 S10 2.0081(14) . ?
P5 S9 2.0228(14) . ?
P6 S11 1.9981(13) . ?
P6 S12 2.0203(12) . ?

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
S5 Ag1 S2 120.18(3) . . ?
S5 Ag1 S7 104.06(3) . . ?
S2 Ag1 S7 98.85(3) . . ?
S5 Ag1 Cu5 97.17(2) . . ?
S2 Ag1 Cu5 136.57(3) . . ?
S7 Ag1 Cu5 47.29(2) . . ?
S5 Ag1 Cu7 160.88(3) . . ?
S2 Ag1 Cu7 47.91(2) . . ?
S7 Ag1 Cu7 93.43(2) . . ?
Cu5 Ag1 Cu7 100.405(16) . . ?
S5 Ag1 Ag3 110.09(3) . . ?
S2 Ag1 Ag3 84.63(2) . . ?
S7 Ag1 Ag3 138.04(2) . . ?
Cu5 Ag1 Ag3 103.750(14) . . ?
Cu7 Ag1 Ag3 58.301(12) . . ?
S5 Ag1 Ag2 76.48(2) . . ?
S2 Ag1 Ag2 144.31(2) . . ?
S7 Ag1 Ag2 107.57(2) . . ?
Cu5 Ag1 Ag2 60.600(12) . . ?
Cu7 Ag1 Ag2 105.826(14) . . ?
Ag3 Ag1 Ag2 59.679(10) . . ?
S5 Ag1 Cu4 138.15(2) . . ?
S2 Ag1 Cu4 100.22(3) . . ?
S7 Ag1 Cu4 78.05(2) . . ?
Cu5 Ag1 Cu4 53.125(12) . . ?
Cu7 Ag1 Cu4 52.733(13) . . ?
Ag3 Ag1 Cu4 60.306(11) . . ?
Ag2 Ag1 Cu4 63.586(11) . . ?
S3 Ag2 S6 125.33(3) . . ?
S3 Ag2 S11 102.89(3) . . ?
S6 Ag2 S11 98.38(3) . . ?
S3 Ag2 Cu5 164.61(3) . . ?
S6 Ag2 Cu5 46.63(2) . . ?
S11 Ag2 Cu5 91.90(2) . . ?
S3 Ag2 Ag3 78.75(2) . . ?
S6 Ag2 Ag3 142.31(2) . . ?
S11 Ag2 Ag3 103.84(2) . . ?
Cu5 Ag2 Ag3 102.067(14) . . ?
S3 Ag2 Cu6 96.03(2) . . ?
S6 Ag2 Cu6 133.21(2) . . ?
S11 Ag2 Cu6 46.34(2) . . ?
Cu5 Ag2 Cu6 97.305(15) . . ?
Ag3 Ag2 Cu6 57.655(12) . . ?
S3 Ag2 Ag1 111.24(3) . . ?
S6 Ag2 Ag1 83.05(2) . . ?
S11 Ag2 Ag1 136.86(2) . . ?
Cu5 Ag2 Ag1 58.045(11) . . ?
Ag3 Ag2 Ag1 59.947(10) . . ?
Cu6 Ag2 Ag1 103.100(14) . . ?
S1 Ag3 S4 117.40(3) . . ?
S1 Ag3 S9 102.54(3) . . ?
S4 Ag3 S9 97.66(3) . . ?
S1 Ag3 Cu7 96.55(3) . . ?
S4 Ag3 Cu7 137.85(2) . . ?
S9 Ag3 Cu7 48.19(2) . . ?
S1 Ag3 Cu6 160.95(3) . . ?
S4 Ag3 Cu6 48.44(2) . . ?
S9 Ag3 Cu6 92.93(2) . . ?
Cu7 Ag3 Cu6 102.072(16) . . ?
S1 Ag3 Ag2 109.03(3) . . ?
S4 Ag3 Ag2 85.33(2) . . ?
S9 Ag3 Ag2 142.62(2) . . ?
Cu7 Ag3 Ag2 107.545(15) . . ?
Cu6 Ag3 Ag2 61.483(12) . . ?
S1 Ag3 Ag1 79.68(3) . . ?
S4 Ag3 Ag1 145.59(2) . . ?
S9 Ag3 Ag1 107.83(2) . . ?
Cu7 Ag3 Ag1 59.783(12) . . ?
Cu6 Ag3 Ag1 106.296(15) . . ?
Ag2 Ag3 Ag1 60.374(10) . . ?
S1 Ag3 Cu4 139.69(3) . . ?
S4 Ag3 Cu4 102.11(2) . . ?
S9 Ag3 Cu4 78.47(2) . . ?
Cu7 Ag3 Cu4 53.761(13) . . ?
Cu6 Ag3 Cu4 54.100(12) . . ?
Ag2 Ag3 Cu4 64.566(11) . . ?
Ag1 Ag3 Cu4 62.340(11) . . ?
O1 C1 C3 107.1(4) . . ?
O1 C1 C2 107.7(3) . . ?
C3 C1 C2 113.1(5) . . ?
O2 C4 C6 109.4(4) . . ?
O2 C4 C5 104.6(5) . . ?
C6 C4 C5 114.9(5) . . ?
O3 C7 C9 107.4(3) . . ?
O3 C7 C8 107.3(3) . . ?
C9 C7 C8 113.4(4) . . ?
O4 C10 C12 109.3(3) . . ?
O4 C10 C11 105.1(3) . . ?
C12 C10 C11 113.1(4) . . ?
O5 C13 C15 106.6(3) . . ?
O5 C13 C14 108.8(3) . . ?
C15 C13 C14 113.0(4) . . ?
O6 C16 C18 108.0(4) . . ?
O6 C16 C17 106.7(4) . . ?
C18 C16 C17 114.7(5) . . ?
C21 C19 O7 111.8(4) . . ?
C21 C19 C20 112.8(5) . . ?
O7 C19 C20 104.1(4) . . ?
O8 C22 C23 106.3(4) . . ?
O8 C22 C24 108.7(4) . . ?
C23 C22 C24 113.0(4) . . ?
O9 C25 C26 106.8(4) . . ?
O9 C25 C27 106.9(4) . . ?
C26 C25 C27 114.8(5) . . ?
O10 C28 C29 105.4(3) . . ?
O10 C28 C30 110.1(3) . . ?
C29 C28 C30 113.7(4) . . ?
O11 C31 C33 106.2(4) . . ?
O11 C31 C32 108.6(3) . . ?
C33 C31 C32 112.2(4) . . ?
O12 C34 C36 107.2(3) . . ?
O12 C34 C35 108.2(4) . . ?
C36 C34 C35 112.2(4) . . ?
S10 Cu4 S8 102.79(3) . . ?
S10 Cu4 S12 99.97(3) . . ?
S8 Cu4 S12 101.97(3) . . ?
S10 Cu4 Cu7 100.29(3) . . ?
S8 Cu4 Cu7 52.70(3) . . ?
S12 Cu4 Cu7 150.64(3) . . ?
S10 Cu4 Cu5 148.07(3) . . ?
S8 Cu4 Cu5 98.00(3) . . ?
S12 Cu4 Cu5 51.63(2) . . ?
Cu7 Cu4 Cu5 111.590(18) . . ?
S10 Cu4 Cu6 51.80(3) . . ?
S8 Cu4 Cu6 150.51(3) . . ?
S12 Cu4 Cu6 97.70(2) . . ?
Cu7 Cu4 Cu6 111.523(19) . . ?
Cu5 Cu4 Cu6 111.442(19) . . ?
S10 Cu4 Ag3 88.37(3) . . ?
S8 Cu4 Ag3 112.01(3) . . ?
S12 Cu4 Ag3 142.26(3) . . ?
Cu7 Cu4 Ag3 59.314(13) . . ?
Cu5 Cu4 Ag3 106.012(17) . . ?
Cu6 Cu4 Ag3 59.187(13) . . ?
S10 Cu4 Ag1 145.30(3) . . ?
S8 Cu4 Ag1 87.14(2) . . ?
S12 Cu4 Ag1 110.48(2) . . ?
Cu7 Cu4 Ag1 59.519(13) . . ?
Cu5 Cu4 Ag1 58.861(13) . . ?
Cu6 Cu4 Ag1 106.313(17) . . ?
Ag3 Cu4 Ag1 57.354(10) . . ?
S6 Cu5 S7 118.28(4) . . ?
S6 Cu5 S12 118.36(4) . . ?
S7 Cu5 S12 122.06(4) . . ?
S6 Cu5 Cu4 126.70(3) . . ?
S7 Cu5 Cu4 95.71(3) . . ?
S12 Cu5 Cu4 58.22(3) . . ?
S6 Cu5 Ag1 92.29(3) . . ?
S7 Cu5 Ag1 61.62(3) . . ?
S12 Cu5 Ag1 126.23(3) . . ?
Cu4 Cu5 Ag1 68.014(14) . . ?
S6 Cu5 Ag2 58.15(2) . . ?
S7 Cu5 Ag2 122.53(3) . . ?
S12 Cu5 Ag2 96.99(3) . . ?
Cu4 Cu5 Ag2 69.210(15) . . ?
Ag1 Cu5 Ag2 61.355(12) . . ?
S4 Cu6 S11 117.59(4) . . ?
S4 Cu6 S10 119.84(4) . . ?
S11 Cu6 S10 121.90(4) . . ?
S4 Cu6 Cu4 124.44(3) . . ?
S11 Cu6 Cu4 96.07(3) . . ?
S10 Cu6 Cu4 57.44(3) . . ?
S4 Cu6 Ag3 58.38(3) . . ?
S11 Cu6 Ag3 120.34(3) . . ?
S10 Cu6 Ag3 96.77(3) . . ?
Cu4 Cu6 Ag3 66.713(14) . . ?
S4 Cu6 Ag2 90.63(3) . . ?
S11 Cu6 Ag2 59.69(3) . . ?
S10 Cu6 Ag2 126.25(3) . . ?
Cu4 Cu6 Ag2 68.836(15) . . ?
Ag3 Cu6 Ag2 60.862(13) . . ?
S2 Cu7 S9 121.24(4) . . ?
S2 Cu7 S8 117.37(4) . . ?
S9 Cu7 S8 120.69(4) . . ?
S2 Cu7 Cu4 124.94(3) . . ?
S9 Cu7 Cu4 93.97(3) . . ?
S8 Cu7 Cu4 57.60(3) . . ?
S2 Cu7 Ag3 93.19(3) . . ?
S9 Cu7 Ag3 60.90(3) . . ?
S8 Cu7 Ag3 124.52(3) . . ?
Cu4 Cu7 Ag3 66.925(15) . . ?
S2 Cu7 Ag1 57.87(3) . . ?
S9 Cu7 Ag1 122.62(3) . . ?
S8 Cu7 Ag1 95.20(3) . . ?
Cu4 Cu7 Ag1 67.749(15) . . ?
Ag3 Cu7 Ag1 61.916(13) . . ?
C1 O1 P1 121.4(2) . . ?
C4 O2 P1 123.4(2) . . ?
C7 O3 P2 120.9(2) . . ?
C10 O4 P2 123.1(2) . . ?
C13 O5 P3 121.2(2) . . ?
C16 O6 P3 120.9(3) . . ?
C19 O7 P4 124.7(2) . . ?
C22 O8 P4 122.7(2) . . ?
C25 O9 P5 120.8(3) . . ?
C28 O10 P5 123.9(2) . . ?
C31 O11 P6 121.6(2) . . ?
C34 O12 P6 122.5(2) . . ?
O1 P1 O2 100.74(15) . . ?
O1 P1 S1 114.33(12) . . ?
O2 P1 S1 109.13(12) . . ?
O1 P1 S2 103.40(11) . . ?
O2 P1 S2 108.29(13) . . ?
S1 P1 S2 119.24(6) . . ?
O4 P2 O3 101.61(14) . . ?
O4 P2 S3 114.54(11) . . ?
O3 P2 S3 110.15(11) . . ?
O4 P2 S4 104.50(11) . . ?
O3 P2 S4 107.38(11) . . ?
S3 P2 S4 117.29(6) . . ?
O6 P3 O5 101.92(14) . . ?
O6 P3 S5 113.66(11) . . ?
O5 P3 S5 109.54(11) . . ?
O6 P3 S6 105.45(11) . . ?
O5 P3 S6 107.60(11) . . ?
S5 P3 S6 117.40(6) . . ?
O7 P4 O8 101.52(15) . . ?
O7 P4 S7 110.54(12) . . ?
O8 P4 S7 110.78(11) . . ?
O7 P4 S8 106.53(11) . . ?
O8 P4 S8 108.11(11) . . ?
S7 P4 S8 118.01(5) . . ?
O9 P5 O10 102.49(15) . . ?
O9 P5 S10 104.60(12) . . ?
O10 P5 S10 109.59(12) . . ?
O9 P5 S9 110.50(12) . . ?
O10 P5 S9 109.38(12) . . ?
S10 P5 S9 118.96(6) . . ?
O12 P6 O11 107.74(15) . . ?
O12 P6 S11 103.10(11) . . ?
O11 P6 S11 110.96(11) . . ?
O12 P6 S12 110.23(11) . . ?
O11 P6 S12 103.83(10) . . ?
S11 P6 S12 120.55(5) . . ?
P1 S1 Ag3 104.21(5) . . ?
P1 S2 Cu7 107.06(5) . . ?
P1 S2 Ag1 97.46(5) . . ?
Cu7 S2 Ag1 74.22(3) . . ?
P2 S3 Ag2 98.94(5) . . ?
P2 S4 Cu6 103.09(5) . . ?
P2 S4 Ag3 101.44(4) . . ?
Cu6 S4 Ag3 73.19(3) . . ?
P3 S5 Ag1 99.98(5) . . ?
P3 S6 Cu5 104.82(4) . . ?
P3 S6 Ag2 98.25(4) . . ?
Cu5 S6 Ag2 75.22(3) . . ?
P4 S7 Cu5 110.13(5) . . ?
P4 S7 Ag1 101.02(4) . . ?
Cu5 S7 Ag1 71.09(3) . . ?
P4 S8 Cu7 104.44(5) . . ?
P4 S8 Cu4 106.30(5) . . ?
Cu7 S8 Cu4 69.70(3) . . ?
P5 S9 Cu7 109.53(5) . . ?
P5 S9 Ag3 101.28(5) . . ?
Cu7 S9 Ag3 70.90(3) . . ?
P5 S10 Cu6 102.76(5) . . ?
P5 S10 Cu4 104.31(5) . . ?
Cu6 S10 Cu4 70.76(3) . . ?
P6 S11 Cu6 107.68(5) . . ?
P6 S11 Ag2 101.18(4) . . ?
Cu6 S11 Ag2 73.97(3) . . ?
P6 S12 Cu5 103.25(5) . . ?
P6 S12 Cu4 104.38(4) . . ?
Cu5 S12 Cu4 70.15(3) . . ?

_refine_diff_density_max         2.377
_refine_diff_density_min         -1.399
_refine_diff_density_rms         0.113



