# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_zzz
_database_code_depnum_ccdc_archive 'CCDC 1588854'
loop_
_audit_author_name
_audit_author_address
'shan jin'
;An Hui University
China
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-11-26 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         'C120 H180 Ag13 Cu10 S12'
_chemical_formula_sum            'C120 H180 Ag13 Cu10 S12'
_chemical_formula_weight         4045.06

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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      cubic
_space_group_IT_number           228
_space_group_name_H-M_alt        'F d -3 c'
_space_group_name_Hall           '-F 4cvw 2vw 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/4, -y+3/4, z+1/2'
'-x+3/4, y+1/2, -z+1/4'
'x+1/2, -y+1/4, -z+3/4'
'z, x, y'
'z+1/2, -x+1/4, -y+3/4'
'-z+1/4, -x+3/4, y+1/2'
'-z+3/4, x+1/2, -y+1/4'
'y, z, x'
'-y+3/4, z+1/2, -x+1/4'
'y+1/2, -z+1/4, -x+3/4'
'-y+1/4, -z+3/4, x+1/2'
'y+3/4, x+1/4, -z'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/4, -x, z+3/4'
'-y, x+3/4, z+1/4'
'x+3/4, z+1/4, -y'
'-x, z+3/4, y+1/4'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/4, -z, y+3/4'
'z+3/4, y+1/4, -x'
'z+1/4, -y, x+3/4'
'-z, y+3/4, x+1/4'
'-z+1/2, -y+1/2, -x+1/2'
'x, y+1/2, z+1/2'
'-x+1/4, -y+5/4, z+1'
'-x+3/4, y+1, -z+3/4'
'x+1/2, -y+3/4, -z+5/4'
'z, x+1/2, y+1/2'
'z+1/2, -x+3/4, -y+5/4'
'-z+1/4, -x+5/4, y+1'
'-z+3/4, x+1, -y+3/4'
'y, z+1/2, x+1/2'
'-y+3/4, z+1, -x+3/4'
'y+1/2, -z+3/4, -x+5/4'
'-y+1/4, -z+5/4, x+1'
'y+3/4, x+3/4, -z+1/2'
'-y+1/2, -x+1, -z+1'
'y+1/4, -x+1/2, z+5/4'
'-y, x+5/4, z+3/4'
'x+3/4, z+3/4, -y+1/2'
'-x, z+5/4, y+3/4'
'-x+1/2, -z+1, -y+1'
'x+1/4, -z+1/2, y+5/4'
'z+3/4, y+3/4, -x+1/2'
'z+1/4, -y+1/2, x+5/4'
'-z, y+5/4, x+3/4'
'-z+1/2, -y+1, -x+1'
'x+1/2, y, z+1/2'
'-x+3/4, -y+3/4, z+1'
'-x+5/4, y+1/2, -z+3/4'
'x+1, -y+1/4, -z+5/4'
'z+1/2, x, y+1/2'
'z+1, -x+1/4, -y+5/4'
'-z+3/4, -x+3/4, y+1'
'-z+5/4, x+1/2, -y+3/4'
'y+1/2, z, x+1/2'
'-y+5/4, z+1/2, -x+3/4'
'y+1, -z+1/4, -x+5/4'
'-y+3/4, -z+3/4, x+1'
'y+5/4, x+1/4, -z+1/2'
'-y+1, -x+1/2, -z+1'
'y+3/4, -x, z+5/4'
'-y+1/2, x+3/4, z+3/4'
'x+5/4, z+1/4, -y+1/2'
'-x+1/2, z+3/4, y+3/4'
'-x+1, -z+1/2, -y+1'
'x+3/4, -z, y+5/4'
'z+5/4, y+1/4, -x+1/2'
'z+3/4, -y, x+5/4'
'-z+1/2, y+3/4, x+3/4'
'-z+1, -y+1/2, -x+1'
'x+1/2, y+1/2, z'
'-x+3/4, -y+5/4, z+1/2'
'-x+5/4, y+1, -z+1/4'
'x+1, -y+3/4, -z+3/4'
'z+1/2, x+1/2, y'
'z+1, -x+3/4, -y+3/4'
'-z+3/4, -x+5/4, y+1/2'
'-z+5/4, x+1, -y+1/4'
'y+1/2, z+1/2, x'
'-y+5/4, z+1, -x+1/4'
'y+1, -z+3/4, -x+3/4'
'-y+3/4, -z+5/4, x+1/2'
'y+5/4, x+3/4, -z'
'-y+1, -x+1, -z+1/2'
'y+3/4, -x+1/2, z+3/4'
'-y+1/2, x+5/4, z+1/4'
'x+5/4, z+3/4, -y'
'-x+1/2, z+5/4, y+1/4'
'-x+1, -z+1, -y+1/2'
'x+3/4, -z+1/2, y+3/4'
'z+5/4, y+3/4, -x'
'z+3/4, -y+1/2, x+3/4'
'-z+1/2, y+5/4, x+1/4'
'-z+1, -y+1, -x+1/2'
'-x, -y, -z'
'x-1/4, y-3/4, -z-1/2'
'x-3/4, -y-1/2, z-1/4'
'-x-1/2, y-1/4, z-3/4'
'-z, -x, -y'
'-z-1/2, x-1/4, y-3/4'
'z-1/4, x-3/4, -y-1/2'
'z-3/4, -x-1/2, y-1/4'
'-y, -z, -x'
'y-3/4, -z-1/2, x-1/4'
'-y-1/2, z-1/4, x-3/4'
'y-1/4, z-3/4, -x-1/2'
'-y-3/4, -x-1/4, z'
'y-1/2, x-1/2, z-1/2'
'-y-1/4, x, -z-3/4'
'y, -x-3/4, -z-1/4'
'-x-3/4, -z-1/4, y'
'x, -z-3/4, -y-1/4'
'x-1/2, z-1/2, y-1/2'
'-x-1/4, z, -y-3/4'
'-z-3/4, -y-1/4, x'
'-z-1/4, y, -x-3/4'
'z, -y-3/4, -x-1/4'
'z-1/2, y-1/2, x-1/2'
'-x, -y+1/2, -z+1/2'
'x-1/4, y-1/4, -z'
'x-3/4, -y, z+1/4'
'-x-1/2, y+1/4, z-1/4'
'-z, -x+1/2, -y+1/2'
'-z-1/2, x+1/4, y-1/4'
'z-1/4, x-1/4, -y'
'z-3/4, -x, y+1/4'
'-y, -z+1/2, -x+1/2'
'y-3/4, -z, x+1/4'
'-y-1/2, z+1/4, x-1/4'
'y-1/4, z-1/4, -x'
'-y-3/4, -x+1/4, z+1/2'
'y-1/2, x, z'
'-y-1/4, x+1/2, -z-1/4'
'y, -x-1/4, -z+1/4'
'-x-3/4, -z+1/4, y+1/2'
'x, -z-1/4, -y+1/4'
'x-1/2, z, y'
'-x-1/4, z+1/2, -y-1/4'
'-z-3/4, -y+1/4, x+1/2'
'-z-1/4, y+1/2, -x-1/4'
'z, -y-1/4, -x+1/4'
'z-1/2, y, x'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-3/4, -z'
'x-1/4, -y-1/2, z+1/4'
'-x, y-1/4, z-1/4'
'-z+1/2, -x, -y+1/2'
'-z, x-1/4, y-1/4'
'z+1/4, x-3/4, -y'
'z-1/4, -x-1/2, y+1/4'
'-y+1/2, -z, -x+1/2'
'y-1/4, -z-1/2, x+1/4'
'-y, z-1/4, x-1/4'
'y+1/4, z-3/4, -x'
'-y-1/4, -x-1/4, z+1/2'
'y, x-1/2, z'
'-y+1/4, x, -z-1/4'
'y+1/2, -x-3/4, -z+1/4'
'-x-1/4, -z-1/4, y+1/2'
'x+1/2, -z-3/4, -y+1/4'
'x, z-1/2, y'
'-x+1/4, z, -y-1/4'
'-z-1/4, -y-1/4, x+1/2'
'-z+1/4, y, -x-1/4'
'z+1/2, -y-3/4, -x+1/4'
'z, y-1/2, x'
'-x+1/2, -y+1/2, -z'
'x+1/4, y-1/4, -z-1/2'
'x-1/4, -y, z-1/4'
'-x, y+1/4, z-3/4'
'-z+1/2, -x+1/2, -y'
'-z, x+1/4, y-3/4'
'z+1/4, x-1/4, -y-1/2'
'z-1/4, -x, y-1/4'
'-y+1/2, -z+1/2, -x'
'y-1/4, -z, x-1/4'
'-y, z+1/4, x-3/4'
'y+1/4, z-1/4, -x-1/2'
'-y-1/4, -x+1/4, z'
'y, x, z-1/2'
'-y+1/4, x+1/2, -z-3/4'
'y+1/2, -x-1/4, -z-1/4'
'-x-1/4, -z+1/4, y'
'x+1/2, -z-1/4, -y-1/4'
'x, z, y-1/2'
'-x+1/4, z+1/2, -y-3/4'
'-z-1/4, -y+1/4, x'
'-z+1/4, y+1/2, -x-3/4'
'z+1/2, -y-1/4, -x-1/4'
'z, y, x-1/2'

_cell_length_a                   41.4111(11)
_cell_length_b                   41.4111(11)
_cell_length_c                   41.4111(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     71015(6)
_cell_formula_units_Z            16
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9686
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      26.45

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_F_000             31888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.739
_shelx_estimated_absorpt_T_min   0.610
_shelx_estimated_absorpt_T_max   0.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_T_max  0.60
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            227561
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_k_min       -55
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_theta_min         1.967
_diffrn_reflns_theta_max         28.335
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3703
_reflns_number_gt                2265
_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.
;

# SQUEEZE RESULTS (Version = 150216)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 7 0 ' '
2 0.235 -0.009 -0.002 26320 1357 ' '
3 0.500 0.000 0.000 7 0 ' '
4 0.250 0.000 0.250 7 0 ' '
5 0.750 0.000 0.250 7 0 ' '
6 0.000 0.000 0.500 7 0 ' '
7 0.500 0.000 0.500 7 0 ' '
8 0.250 0.000 0.750 7 0 ' '
9 0.750 0.000 0.750 7 0 ' '
10 0.250 0.250 0.000 7 0 ' '
11 0.750 0.250 0.000 7 0 ' '
12 0.000 0.250 0.250 7 0 ' '
13 0.500 0.250 0.250 7 0 ' '
14 0.250 0.250 0.500 7 0 ' '
15 0.750 0.250 0.500 7 0 ' '
16 0.000 0.250 0.750 7 0 ' '
17 0.500 0.250 0.750 7 0 ' '
18 0.000 0.500 0.000 7 0 ' '
19 0.500 0.500 0.000 7 0 ' '
20 0.250 0.500 0.250 7 0 ' '
21 0.750 0.500 0.250 7 0 ' '
22 0.000 0.500 0.500 7 0 ' '
23 0.500 0.500 0.500 7 0 ' '
24 0.250 0.500 0.750 7 0 ' '
25 0.750 0.500 0.750 7 0 ' '
26 0.250 0.750 0.000 7 0 ' '
27 0.750 0.750 0.000 7 0 ' '
28 0.000 0.750 0.250 7 0 ' '
29 0.500 0.750 0.250 7 0 ' '
30 0.250 0.750 0.500 7 0 ' '
31 0.750 0.750 0.500 7 0 ' '
32 0.000 0.750 0.750 7 0 ' '
33 0.500 0.750 0.750 7 0 ' '

_computing_data_collection       'SMART (Bruker, 2008)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2008)'
_computing_publication_material  'SHELXTL (Bruker, 2008)'

_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)+(0.06P)²+1.88P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3703
_refine_ls_number_parameters     118
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.1078
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_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 0.1250 0.1250 0.1250 0.0566(2) Uani 1 12 d S T P . .
Ag2 Ag 0.08966(2) 0.18228(2) 0.12683(2) 0.06759(13) Uani 1 1 d . . . . .
C1 C 0.04104(9) 0.25072(9) 0.11869(9) 0.0639(8) Uani 1 1 d . U . . .
C2 C 0.02253(10) 0.22208(10) 0.13394(10) 0.0705(10) Uani 1 1 d . . . . .
H2A H 0.0181 0.2056 0.1172 0.085 Uiso 1 1 calc R U . . .
H2B H 0.0361 0.2120 0.1508 0.085 Uiso 1 1 calc R U . . .
C3 C -0.00929(9) 0.23336(9) 0.14879(9) 0.0670(10) Uani 1 1 d . . . . .
H3 H -0.0222 0.2147 0.1572 0.080 Uiso 1 1 calc R U . . .
C4 C 0.00624(9) 0.25287(9) 0.17672(9) 0.0703(10) Uani 1 1 d . . . . .
H4A H -0.0116 0.2595 0.1912 0.084 Uiso 1 1 calc R U . . .
H4B H 0.0197 0.2375 0.1891 0.084 Uiso 1 1 calc R U . . .
C5 C 0.02674(9) 0.28256(10) 0.17143(10) 0.0712(10) Uani 1 1 d . . . . .
H5 H 0.0342 0.2948 0.1909 0.085 Uiso 1 1 calc R U . . .
C6 C 0.05272(9) 0.27035(9) 0.14726(9) 0.0685(9) Uani 1 1 d . U . . .
H6A H 0.0645 0.2894 0.1388 0.082 Uiso 1 1 calc R U . . .
H6B H 0.0685 0.2571 0.1594 0.082 Uiso 1 1 calc R U . . .
C7 C 0.02029(9) 0.27495(9) 0.09970(9) 0.0702(9) Uani 1 1 d . U . . .
H7A H 0.0148 0.2654 0.0785 0.084 Uiso 1 1 calc R U . . .
H7B H 0.0333 0.2946 0.0957 0.084 Uiso 1 1 calc R U . . .
C8 C -0.01130(9) 0.28477(10) 0.11691(9) 0.0706(10) Uani 1 1 d . . . . .
H8 H -0.0246 0.3005 0.1044 0.085 Uiso 1 1 calc R U . . .
C9 C 0.00026(9) 0.29796(10) 0.15022(9) 0.0727(11) Uani 1 1 d . . . . .
H9A H 0.0072 0.3205 0.1463 0.087 Uiso 1 1 calc R U . . .
H9B H -0.0193 0.2992 0.1639 0.087 Uiso 1 1 calc R U . . .
C10 C -0.02873(10) 0.25320(9) 0.12419(9) 0.0725(11) Uani 1 1 d . . . . .
H10A H -0.0314 0.2406 0.1040 0.087 Uiso 1 1 calc R U . . .
H10B H -0.0505 0.2579 0.1330 0.087 Uiso 1 1 calc R U . . .
Cu1 Cu 0.1250 0.24401(2) 0.1250 0.05502(17) Uani 1 2 d S T P . .
Cu2 Cu 0.06069(2) 0.18931(2) 0.06069(2) 0.0579(2) Uani 1 3 d S T P . .
S1 S 0.07507(2) 0.23376(2) 0.09705(2) 0.0653(3) Uani 1 1 d . U . . .


_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 Ag2 2.7881(3) 36_544 ?
Ag1 Ag2 2.7881(3) 80_445 ?
Ag1 Ag2 2.7881(3) 52_454 ?
Ag1 Ag2 2.7881(3) 59_454 ?
Ag1 Ag2 2.7881(3) 75_445 ?
Ag1 Ag2 2.7881(3) 31_544 ?
Ag1 Ag2 2.7881(3) 5 ?
Ag1 Ag2 2.7881(3) 54_454 ?
Ag1 Ag2 2.7881(3) 26_544 ?
Ag1 Ag2 2.7881(3) 9 ?
Ag1 Ag2 2.7881(3) 82_445 ?
Ag1 Ag2 2.7882(3) . ?
Ag2 S1 2.5360(10) . ?
Ag2 Ag2 2.8323(5) 31_544 ?
Ag2 Ag2 2.8324(5) 82_445 ?
Ag2 Ag2 2.9313(6) 75_445 ?
Ag2 Cu1 2.9467(6) . ?
Ag2 Cu2 3.0043(7) . ?
Ag2 Ag2 3.0308(5) 54_454 ?
Ag2 Ag2 3.0310(5) 36_544 ?
C1 C6 1.514(5) . ?
C1 C7 1.538(5) . ?
C1 C2 1.547(5) . ?
C1 S1 1.812(4) . ?
C2 C3 1.527(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C10 1.537(5) . ?
C3 C4 1.550(6) . ?
C3 H3 1.0000 . ?
C4 C5 1.510(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C9 1.543(5) . ?
C5 C6 1.554(5) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.544(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.523(5) . ?
C8 C9 1.559(5) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
Cu1 S1 2.4070(10) 75_445 ?
Cu1 S1 2.4071(10) . ?
Cu1 Ag2 2.9469(6) 75_445 ?
Cu2 S1 2.4518(10) . ?
Cu2 S1 2.4518(10) 36_544 ?
Cu2 S1 2.4518(10) 54_454 ?
Cu2 Ag2 3.0043(7) 54_454 ?
Cu2 Ag2 3.0043(7) 36_544 ?

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
Ag2 Ag1 Ag2 61.051(10) 36_544 80_445 ?
Ag2 Ag1 Ag2 61.051(10) 36_544 52_454 ?
Ag2 Ag1 Ag2 61.051(10) 80_445 52_454 ?
Ag2 Ag1 Ag2 176.881(12) 36_544 59_454 ?
Ag2 Ag1 Ag2 117.094(4) 80_445 59_454 ?
Ag2 Ag1 Ag2 115.959(4) 52_454 59_454 ?
Ag2 Ag1 Ag2 117.094(4) 36_544 75_445 ?
Ag2 Ag1 Ag2 115.959(4) 80_445 75_445 ?
Ag2 Ag1 Ag2 176.881(12) 52_454 75_445 ?
Ag2 Ag1 Ag2 65.848(10) 59_454 75_445 ?
Ag2 Ag1 Ag2 115.959(4) 36_544 31_544 ?
Ag2 Ag1 Ag2 176.881(12) 80_445 31_544 ?
Ag2 Ag1 Ag2 117.094(4) 52_454 31_544 ?
Ag2 Ag1 Ag2 65.848(10) 59_454 31_544 ?
Ag2 Ag1 Ag2 65.848(10) 75_445 31_544 ?
Ag2 Ag1 Ag2 117.094(4) 36_544 5 ?
Ag2 Ag1 Ag2 116.666(13) 80_445 5 ?
Ag2 Ag1 Ag2 65.848(10) 52_454 5 ?
Ag2 Ag1 Ag2 61.051(10) 59_454 5 ?
Ag2 Ag1 Ag2 117.094(4) 75_445 5 ?
Ag2 Ag1 Ag2 63.429(13) 31_544 5 ?
Ag2 Ag1 Ag2 65.848(10) 36_544 54_454 ?
Ag2 Ag1 Ag2 63.429(13) 80_445 54_454 ?
Ag2 Ag1 Ag2 115.959(4) 52_454 54_454 ?
Ag2 Ag1 Ag2 115.959(4) 59_454 54_454 ?
Ag2 Ag1 Ag2 61.051(10) 75_445 54_454 ?
Ag2 Ag1 Ag2 116.666(13) 31_544 54_454 ?
Ag2 Ag1 Ag2 176.881(12) 5 54_454 ?
Ag2 Ag1 Ag2 115.959(4) 36_544 26_544 ?
Ag2 Ag1 Ag2 65.848(10) 80_445 26_544 ?
Ag2 Ag1 Ag2 63.429(13) 52_454 26_544 ?
Ag2 Ag1 Ag2 61.051(10) 59_454 26_544 ?
Ag2 Ag1 Ag2 116.666(13) 75_445 26_544 ?
Ag2 Ag1 Ag2 115.959(4) 31_544 26_544 ?
Ag2 Ag1 Ag2 61.051(10) 5 26_544 ?
Ag2 Ag1 Ag2 117.094(4) 54_454 26_544 ?
Ag2 Ag1 Ag2 116.666(13) 36_544 9 ?
Ag2 Ag1 Ag2 65.848(10) 80_445 9 ?
Ag2 Ag1 Ag2 117.094(4) 52_454 9 ?
Ag2 Ag1 Ag2 63.429(13) 59_454 9 ?
Ag2 Ag1 Ag2 61.051(10) 75_445 9 ?
Ag2 Ag1 Ag2 117.094(4) 31_544 9 ?
Ag2 Ag1 Ag2 115.959(4) 5 9 ?
Ag2 Ag1 Ag2 61.051(10) 54_454 9 ?
Ag2 Ag1 Ag2 65.848(10) 26_544 9 ?
Ag2 Ag1 Ag2 63.429(13) 36_544 82_445 ?
Ag2 Ag1 Ag2 115.959(4) 80_445 82_445 ?
Ag2 Ag1 Ag2 65.848(10) 52_454 82_445 ?
Ag2 Ag1 Ag2 116.666(13) 59_454 82_445 ?
Ag2 Ag1 Ag2 115.959(4) 75_445 82_445 ?
Ag2 Ag1 Ag2 61.051(10) 31_544 82_445 ?
Ag2 Ag1 Ag2 65.848(10) 5 82_445 ?
Ag2 Ag1 Ag2 117.094(4) 54_454 82_445 ?
Ag2 Ag1 Ag2 117.094(4) 26_544 82_445 ?
Ag2 Ag1 Ag2 176.881(12) 9 82_445 ?
Ag2 Ag1 Ag2 65.850(10) 36_544 . ?
Ag2 Ag1 Ag2 117.095(4) 80_445 . ?
Ag2 Ag1 Ag2 116.669(13) 52_454 . ?
Ag2 Ag1 Ag2 117.092(4) 59_454 . ?
Ag2 Ag1 Ag2 63.426(13) 75_445 . ?
Ag2 Ag1 Ag2 61.051(10) 31_544 . ?
Ag2 Ag1 Ag2 115.961(4) 5 . ?
Ag2 Ag1 Ag2 65.847(10) 54_454 . ?
Ag2 Ag1 Ag2 176.882(12) 26_544 . ?
Ag2 Ag1 Ag2 115.956(4) 9 . ?
Ag2 Ag1 Ag2 61.054(10) 82_445 . ?
S1 Ag2 Ag1 145.79(3) . . ?
S1 Ag2 Ag2 141.30(3) . 31_544 ?
Ag1 Ag2 Ag2 59.474(5) . 31_544 ?
S1 Ag2 Ag2 147.50(3) . 82_445 ?
Ag1 Ag2 Ag2 59.473(5) . 82_445 ?
Ag2 Ag2 Ag2 60.0 31_544 82_445 ?
S1 Ag2 Ag2 102.28(2) . 75_445 ?
Ag1 Ag2 Ag2 58.287(6) . 75_445 ?
Ag2 Ag2 Ag2 63.426(16) 31_544 75_445 ?
Ag2 Ag2 Ag2 110.215(12) 82_445 75_445 ?
S1 Ag2 Cu1 51.42(2) . . ?
Ag2 Ag2 Cu1 93.192(15) 31_544 . ?
Ag2 Ag2 Cu1 151.058(14) 82_445 . ?
Ag2 Ag2 Cu1 60.176(8) 75_445 . ?
S1 Ag2 Cu2 51.69(2) . . ?
Ag2 Ag2 Cu2 164.964(11) 31_544 . ?
Ag2 Ag2 Cu2 113.409(16) 82_445 . ?
Ag2 Ag2 Cu2 110.583(15) 75_445 . ?
S1 Ag2 Ag2 88.87(2) . 54_454 ?
Ag1 Ag2 Ag2 57.076(5) . 54_454 ?
Ag2 Ag2 Ag2 108.041(4) 31_544 54_454 ?
Ag2 Ag2 Ag2 108.402(10) 82_445 54_454 ?
Ag2 Ag2 Ag2 56.696(15) 75_445 54_454 ?
Cu1 Ag2 Ag2 89.248(15) . 54_454 ?
Cu2 Ag2 Ag2 59.708(8) . 54_454 ?
S1 Ag2 Ag2 111.14(2) . 36_544 ?
Ag1 Ag2 Ag2 57.074(5) . 36_544 ?
Ag2 Ag2 Ag2 107.435(10) 31_544 36_544 ?
Ag2 Ag2 Ag2 59.879(15) 82_445 36_544 ?
Ag2 Ag2 Ag2 105.838(12) 75_445 36_544 ?
Cu1 Ag2 Ag2 146.760(13) . 36_544 ?
Cu2 Ag2 Ag2 59.707(8) . 36_544 ?
Ag2 Ag2 Ag2 60.0 54_454 36_544 ?
C6 C1 C7 103.2(3) . . ?
C6 C1 C2 104.5(3) . . ?
C7 C1 C2 115.6(3) . . ?
C6 C1 S1 110.2(3) . . ?
C7 C1 S1 115.8(3) . . ?
C2 C1 S1 106.9(3) . . ?
C3 C2 C1 110.9(3) . . ?
C3 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 C10 110.4(3) . . ?
C2 C3 C4 95.9(3) . . ?
C10 C3 C4 115.7(3) . . ?
C2 C3 H3 111.3 . . ?
C10 C3 H3 111.3 . . ?
C4 C3 H3 111.3 . . ?
C5 C4 C3 123.3(3) . . ?
C5 C4 H4A 106.5 . . ?
C3 C4 H4A 106.5 . . ?
C5 C4 H4B 106.5 . . ?
C3 C4 H4B 106.5 . . ?
H4A C4 H4B 106.5 . . ?
C4 C5 C9 91.1(3) . . ?
C4 C5 C6 102.6(3) . . ?
C9 C5 C6 105.0(3) . . ?
C4 C5 H5 118.0 . . ?
C9 C5 H5 118.0 . . ?
C6 C5 H5 118.0 . . ?
C1 C6 C5 117.2(3) . . ?
C1 C6 H6A 108.0 . . ?
C5 C6 H6A 108.0 . . ?
C1 C6 H6B 108.0 . . ?
C5 C6 H6B 108.0 . . ?
H6A C6 H6B 107.2 . . ?
C1 C7 C8 114.2(3) . . ?
C1 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
C1 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C10 C8 C7 105.5(3) . . ?
C10 C8 C9 105.7(3) . . ?
C7 C8 C9 103.9(3) . . ?
C10 C8 H8 113.6 . . ?
C7 C8 H8 113.6 . . ?
C9 C8 H8 113.6 . . ?
C5 C9 C8 125.3(3) . . ?
C5 C9 H9A 106.0 . . ?
C8 C9 H9A 106.0 . . ?
C5 C9 H9B 106.0 . . ?
C8 C9 H9B 106.0 . . ?
H9A C9 H9B 106.3 . . ?
C8 C10 C3 110.0(3) . . ?
C8 C10 H10A 109.7 . . ?
C3 C10 H10A 109.7 . . ?
C8 C10 H10B 109.7 . . ?
C3 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
S1 Cu1 S1 159.69(5) 75_445 . ?
S1 Cu1 Ag2 105.15(3) 75_445 . ?
S1 Cu1 Ag2 55.45(2) . . ?
S1 Cu1 Ag2 55.44(2) 75_445 75_445 ?
S1 Cu1 Ag2 105.15(3) . 75_445 ?
Ag2 Cu1 Ag2 59.652(16) . 75_445 ?
S1 Cu2 S1 119.627(6) . 36_544 ?
S1 Cu2 S1 119.626(6) . 54_454 ?
S1 Cu2 S1 119.626(6) 36_544 54_454 ?
S1 Cu2 Ag2 91.07(3) . 54_454 ?
S1 Cu2 Ag2 114.56(3) 36_544 54_454 ?
S1 Cu2 Ag2 54.25(3) 54_454 54_454 ?
S1 Cu2 Ag2 114.57(3) . 36_544 ?
S1 Cu2 Ag2 54.25(3) 36_544 36_544 ?
S1 Cu2 Ag2 91.07(3) 54_454 36_544 ?
Ag2 Cu2 Ag2 60.585(16) 54_454 36_544 ?
S1 Cu2 Ag2 54.25(3) . . ?
S1 Cu2 Ag2 91.07(3) 36_544 . ?
S1 Cu2 Ag2 114.56(3) 54_454 . ?
Ag2 Cu2 Ag2 60.583(16) 54_454 . ?
Ag2 Cu2 Ag2 60.587(16) 36_544 . ?
C1 S1 Cu1 111.23(13) . . ?
C1 S1 Cu2 113.94(13) . . ?
Cu1 S1 Cu2 129.52(4) . . ?
C1 S1 Ag2 105.70(12) . . ?
Cu1 S1 Ag2 73.13(3) . . ?
Cu2 S1 Ag2 74.05(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 71.1(4) . . . . ?
C7 C1 C2 C3 -41.5(5) . . . . ?
S1 C1 C2 C3 -172.0(3) . . . . ?
C1 C2 C3 C10 51.4(5) . . . . ?
C1 C2 C3 C4 -68.7(4) . . . . ?
C2 C3 C4 C5 65.1(4) . . . . ?
C10 C3 C4 C5 -50.9(5) . . . . ?
C3 C4 C5 C9 52.0(4) . . . . ?
C3 C4 C5 C6 -53.7(4) . . . . ?
C7 C1 C6 C5 64.4(4) . . . . ?
C2 C1 C6 C5 -56.8(4) . . . . ?
S1 C1 C6 C5 -171.4(3) . . . . ?
C4 C5 C6 C1 46.0(4) . . . . ?
C9 C5 C6 C1 -48.6(4) . . . . ?
C6 C1 C7 C8 -68.6(4) . . . . ?
C2 C1 C7 C8 44.9(5) . . . . ?
S1 C1 C7 C8 170.9(3) . . . . ?
C1 C7 C8 C10 -54.9(4) . . . . ?
C1 C7 C8 C9 56.1(4) . . . . ?
C4 C5 C9 C8 -65.3(4) . . . . ?
C6 C5 C9 C8 38.0(5) . . . . ?
C10 C8 C9 C5 68.6(4) . . . . ?
C7 C8 C9 C5 -42.2(5) . . . . ?
C7 C8 C10 C3 65.9(4) . . . . ?
C9 C8 C10 C3 -43.8(4) . . . . ?
C2 C3 C10 C8 -66.9(4) . . . . ?
C4 C3 C10 C8 40.5(4) . . . . ?
C6 C1 S1 Cu1 6.1(3) . . . . ?
C7 C1 S1 Cu1 122.7(3) . . . . ?
C2 C1 S1 Cu1 -106.9(3) . . . . ?
C6 C1 S1 Cu2 163.0(2) . . . . ?
C7 C1 S1 Cu2 -80.5(3) . . . . ?
C2 C1 S1 Cu2 49.9(3) . . . . ?
C6 C1 S1 Ag2 83.8(2) . . . . ?
C7 C1 S1 Ag2 -159.7(3) . . . . ?
C2 C1 S1 Ag2 -29.3(3) . . . . ?

_refine_diff_density_max         0.472
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.064

