# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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. 
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data_6
_database_code_depnum_ccdc_archive 'CCDC 2322137'
_audit_update_record             
;
2023-12-27 deposited with the CCDC.	2024-09-12 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            'Ag0.40 Cs0.40 S2.80 Sb1.60'
_chemical_formula_weight         380.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   26.150(6)
_cell_length_b                   8.8407(19)
_cell_length_c                   12.134(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.616(6)
_cell_angle_gamma                90
_cell_volume                     2780.5(10)
_cell_formula_units_Z            20
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2386
_cell_measurement_theta_min      3.32
_cell_measurement_theta_max      28.18

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.549
_exptl_crystal_F_000             3344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    12.643
_shelx_estimated_absorpt_T_min   0.167
_shelx_estimated_absorpt_T_max   0.209
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2489
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_process_details   ?
_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11622
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.571
_diffrn_reflns_theta_max         26.383
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             2815
_reflns_number_gt                2683
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0800P)²+80.7463P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2815
_refine_ls_number_parameters     120
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1281
_refine_ls_wR_factor_gt          0.1260
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.000
_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
Sb4 Sb 0.14102(2) 0.08124(7) 0.56494(5) 0.00718(18) Uani 1 1 d . U . . .
Sb2 Sb 0.35248(2) 0.10161(7) 0.67898(5) 0.00597(18) Uani 1 1 d . U . . .
Sb3 Sb 0.07369(2) 0.44584(7) 0.57831(5) 0.00621(18) Uani 1 1 d . . . . .
Cs3 Cs 0.250000 -0.250000 0.500000 0.0156(2) Uani 1 2 d S . P . .
Sb1 Sb 0.07788(2) 0.20798(7) 0.87112(5) 0.00720(18) Uani 1 1 d . U . . .
Cs2 Cs 0.000000 -0.16361(11) 0.750000 0.0180(2) Uani 1 2 d S T P . .
Ag1 Ag 0.24285(3) 0.10109(9) 0.31731(8) 0.0208(2) Uani 1 1 d . . . . .
S1 S 0.46146(8) -0.0262(2) 0.61286(17) 0.0068(4) Uani 1 1 d . U . . .
S9 S 0.14775(9) 0.0524(3) 0.36809(19) 0.0107(5) Uani 1 1 d . . . . .
S8 S 0.16410(8) 0.4067(2) 0.52666(17) 0.0069(4) Uani 1 1 d . U . . .
S10 S 0.15096(8) 0.3186(3) 0.79337(18) 0.0072(4) Uani 1 1 d . . . . .
S6 S 0.10896(9) -0.1952(3) 0.56975(18) 0.0104(5) Uani 1 1 d . . . . .
S7 S 0.26156(9) 0.1142(3) 0.69475(19) 0.0112(5) Uani 1 1 d . U . . .
S2 S 0.05021(9) 0.1772(3) 0.54880(18) 0.0087(4) 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
Sb4 S9 2.432(2) . ?
Sb4 S2 2.505(2) . ?
Sb4 S6 2.587(2) . ?
Sb4 Cs3 4.2325(9) . ?
Sb2 S7 2.413(2) . ?
Sb2 S8 2.476(2) 7_556 ?
Sb2 S10 2.528(2) 4_546 ?
Sb2 Cs2 4.3648(10) 3 ?
Sb2 Cs3 4.4742(8) . ?
Sb3 S2 2.467(2) . ?
Sb3 S1 2.483(2) 7_556 ?
Sb3 S8 2.549(2) . ?
Cs3 S10 3.412(2) 6 ?
Cs3 S10 3.412(2) 4_546 ?
Cs3 Ag1 3.8044(11) . ?
Cs3 Ag1 3.8044(11) 7_546 ?
Cs3 S8 3.815(2) 7_556 ?
Cs3 S8 3.815(2) 1_545 ?
Cs3 S6 3.922(3) . ?
Cs3 S6 3.922(3) 7_546 ?
Cs3 S7 3.943(2) 6 ?
Cs3 S7 3.943(2) 4_546 ?
Cs3 S9 3.966(3) . ?
Cs3 S9 3.966(3) 7_546 ?
Sb1 S6 2.442(2) 6_556 ?
Sb1 S10 2.444(2) . ?
Sb1 S1 2.583(2) 4_556 ?
Sb1 Cs2 4.0381(11) . ?
Cs2 S1 3.690(2) 3_445 ?
Cs2 S1 3.690(2) 4_546 ?
Cs2 S2 3.691(2) 5_556 ?
Cs2 S2 3.691(2) 6_556 ?
Cs2 S6 3.825(2) 2_556 ?
Cs2 S6 3.825(2) . ?
Cs2 S9 4.060(3) 6_556 ?
Cs2 S9 4.060(3) 5_556 ?
Ag1 S7 2.503(2) 6 ?
Ag1 S7 2.523(3) 7_556 ?
Ag1 S9 2.675(3) . ?
Ag1 S8 2.879(2) 7_556 ?

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
S9 Sb4 S2 98.63(8) . . ?
S9 Sb4 S6 89.37(8) . . ?
S2 Sb4 S6 90.87(8) . . ?
S9 Sb4 Cs3 66.82(6) . . ?
S2 Sb4 Cs3 151.00(6) . . ?
S6 Sb4 Cs3 65.08(6) . . ?
S7 Sb2 S8 92.20(8) . 7_556 ?
S7 Sb2 S10 88.99(8) . 4_546 ?
S8 Sb2 S10 95.73(7) 7_556 4_546 ?
S7 Sb2 Cs2 144.77(6) . 3 ?
S8 Sb2 Cs2 104.19(5) 7_556 3 ?
S10 Sb2 Cs2 119.38(5) 4_546 3 ?
S7 Sb2 Cs3 62.44(6) . . ?
S8 Sb2 Cs3 58.45(5) 7_556 . ?
S10 Sb2 Cs3 49.24(5) 4_546 . ?
Cs2 Sb2 Cs3 152.016(16) 3 . ?
S2 Sb3 S1 94.90(7) . 7_556 ?
S2 Sb3 S8 93.13(7) . . ?
S1 Sb3 S8 92.85(7) 7_556 . ?
S10 Cs3 S10 180.00(8) 6 4_546 ?
S10 Cs3 Ag1 75.10(4) 6 . ?
S10 Cs3 Ag1 104.90(4) 4_546 . ?
S10 Cs3 Ag1 104.90(4) 6 7_546 ?
S10 Cs3 Ag1 75.10(4) 4_546 7_546 ?
Ag1 Cs3 Ag1 180.0 . 7_546 ?
S10 Cs3 S8 118.50(5) 6 7_556 ?
S10 Cs3 S8 61.50(5) 4_546 7_556 ?
Ag1 Cs3 S8 44.40(4) . 7_556 ?
Ag1 Cs3 S8 135.60(4) 7_546 7_556 ?
S10 Cs3 S8 61.50(5) 6 1_545 ?
S10 Cs3 S8 118.50(5) 4_546 1_545 ?
Ag1 Cs3 S8 135.60(4) . 1_545 ?
Ag1 Cs3 S8 44.40(4) 7_546 1_545 ?
S8 Cs3 S8 180.00(7) 7_556 1_545 ?
S10 Cs3 S6 62.39(5) 6 . ?
S10 Cs3 S6 117.61(5) 4_546 . ?
Ag1 Cs3 S6 92.87(4) . . ?
Ag1 Cs3 S6 87.13(4) 7_546 . ?
S8 Cs3 S6 120.08(5) 7_556 . ?
S8 Cs3 S6 59.92(5) 1_545 . ?
S10 Cs3 S6 117.61(5) 6 7_546 ?
S10 Cs3 S6 62.39(5) 4_546 7_546 ?
Ag1 Cs3 S6 87.13(4) . 7_546 ?
Ag1 Cs3 S6 92.87(4) 7_546 7_546 ?
S8 Cs3 S6 59.92(5) 7_556 7_546 ?
S8 Cs3 S6 120.08(5) 1_545 7_546 ?
S6 Cs3 S6 180.0 . 7_546 ?
S10 Cs3 S7 60.60(5) 6 6 ?
S10 Cs3 S7 119.40(5) 4_546 6 ?
Ag1 Cs3 S7 37.65(4) . 6 ?
Ag1 Cs3 S7 142.35(4) 7_546 6 ?
S8 Cs3 S7 63.82(5) 7_556 6 ?
S8 Cs3 S7 116.18(5) 1_545 6 ?
S6 Cs3 S7 110.88(5) . 6 ?
S6 Cs3 S7 69.12(5) 7_546 6 ?
S10 Cs3 S7 119.40(5) 6 4_546 ?
S10 Cs3 S7 60.60(5) 4_546 4_546 ?
Ag1 Cs3 S7 142.35(4) . 4_546 ?
Ag1 Cs3 S7 37.65(4) 7_546 4_546 ?
S8 Cs3 S7 116.18(5) 7_556 4_546 ?
S8 Cs3 S7 63.82(5) 1_545 4_546 ?
S6 Cs3 S7 69.12(5) . 4_546 ?
S6 Cs3 S7 110.88(5) 7_546 4_546 ?
S7 Cs3 S7 180.0 6 4_546 ?
S10 Cs3 S9 54.38(5) 6 . ?
S10 Cs3 S9 125.62(5) 4_546 . ?
Ag1 Cs3 S9 40.21(4) . . ?
Ag1 Cs3 S9 139.79(4) 7_546 . ?
S8 Cs3 S9 78.61(5) 7_556 . ?
S8 Cs3 S9 101.39(5) 1_545 . ?
S6 Cs3 S9 53.19(5) . . ?
S6 Cs3 S9 126.81(5) 7_546 . ?
S7 Cs3 S9 63.07(5) 6 . ?
S7 Cs3 S9 116.93(5) 4_546 . ?
S10 Cs3 S9 125.62(5) 6 7_546 ?
S10 Cs3 S9 54.38(5) 4_546 7_546 ?
Ag1 Cs3 S9 139.79(4) . 7_546 ?
Ag1 Cs3 S9 40.21(4) 7_546 7_546 ?
S8 Cs3 S9 101.39(5) 7_556 7_546 ?
S8 Cs3 S9 78.61(5) 1_545 7_546 ?
S6 Cs3 S9 126.81(5) . 7_546 ?
S6 Cs3 S9 53.19(5) 7_546 7_546 ?
S7 Cs3 S9 116.93(5) 6 7_546 ?
S7 Cs3 S9 63.07(5) 4_546 7_546 ?
S9 Cs3 S9 180.00(8) . 7_546 ?
S6 Sb1 S10 102.97(8) 6_556 . ?
S6 Sb1 S1 92.95(7) 6_556 4_556 ?
S10 Sb1 S1 90.26(8) . 4_556 ?
S6 Sb1 Cs2 114.05(6) 6_556 . ?
S10 Sb1 Cs2 124.56(6) . . ?
S1 Sb1 Cs2 125.51(5) 4_556 . ?
S1 Cs2 S1 59.39(7) 3_445 4_546 ?
S1 Cs2 S2 59.22(5) 3_445 5_556 ?
S1 Cs2 S2 117.07(5) 4_546 5_556 ?
S1 Cs2 S2 117.07(5) 3_445 6_556 ?
S1 Cs2 S2 59.22(5) 4_546 6_556 ?
S2 Cs2 S2 176.26(8) 5_556 6_556 ?
S1 Cs2 S6 90.85(5) 3_445 2_556 ?
S1 Cs2 S6 81.85(5) 4_546 2_556 ?
S2 Cs2 S6 111.37(5) 5_556 2_556 ?
S2 Cs2 S6 68.34(5) 6_556 2_556 ?
S1 Cs2 S6 81.85(5) 3_445 . ?
S1 Cs2 S6 90.85(5) 4_546 . ?
S2 Cs2 S6 68.34(5) 5_556 . ?
S2 Cs2 S6 111.36(5) 6_556 . ?
S6 Cs2 S6 171.62(8) 2_556 . ?
S1 Cs2 Sb1 164.86(3) 3_445 . ?
S1 Cs2 Sb1 116.62(4) 4_546 . ?
S2 Cs2 Sb1 118.73(4) 5_556 . ?
S2 Cs2 Sb1 64.69(4) 6_556 . ?
S6 Cs2 Sb1 103.26(4) 2_556 . ?
S6 Cs2 Sb1 83.66(4) . . ?
S1 Cs2 Sb1 116.62(4) 3_445 2_556 ?
S1 Cs2 Sb1 164.86(3) 4_546 2_556 ?
S2 Cs2 Sb1 64.69(4) 5_556 2_556 ?
S2 Cs2 Sb1 118.73(4) 6_556 2_556 ?
S6 Cs2 Sb1 83.66(4) 2_556 2_556 ?
S6 Cs2 Sb1 103.26(4) . 2_556 ?
Sb1 Cs2 Sb1 71.12(3) . 2_556 ?
S1 Cs2 S9 124.05(5) 3_445 6_556 ?
S1 Cs2 S9 82.00(5) 4_546 6_556 ?
S2 Cs2 S9 123.55(5) 5_556 6_556 ?
S2 Cs2 S9 57.53(5) 6_556 6_556 ?
S6 Cs2 S9 124.20(5) 2_556 6_556 ?
S6 Cs2 S9 58.22(5) . 6_556 ?
Sb1 Cs2 S9 42.61(3) . 6_556 ?
Sb1 Cs2 S9 110.00(4) 2_556 6_556 ?
S1 Cs2 S9 82.00(5) 3_445 5_556 ?
S1 Cs2 S9 124.05(5) 4_546 5_556 ?
S2 Cs2 S9 57.53(5) 5_556 5_556 ?
S2 Cs2 S9 123.55(5) 6_556 5_556 ?
S6 Cs2 S9 58.22(5) 2_556 5_556 ?
S6 Cs2 S9 124.20(5) . 5_556 ?
Sb1 Cs2 S9 110.00(4) . 5_556 ?
Sb1 Cs2 S9 42.61(3) 2_556 5_556 ?
S9 Cs2 S9 151.97(7) 6_556 5_556 ?
S1 Cs2 Sb2 46.87(4) 3_445 3_445 ?
S1 Cs2 Sb2 81.80(4) 4_546 3_445 ?
S2 Cs2 Sb2 66.45(4) 5_556 3_445 ?
S2 Cs2 Sb2 111.62(4) 6_556 3_445 ?
S6 Cs2 Sb2 51.12(4) 2_556 3_445 ?
S6 Cs2 Sb2 123.93(4) . 3_445 ?
Sb1 Cs2 Sb2 148.065(19) . 3_445 ?
Sb1 Cs2 Sb2 85.703(19) 2_556 3_445 ?
S9 Cs2 Sb2 163.69(4) 6_556 3_445 ?
S9 Cs2 Sb2 43.16(4) 5_556 3_445 ?
S1 Cs2 Sb2 81.80(4) 3_445 4_546 ?
S1 Cs2 Sb2 46.87(4) 4_546 4_546 ?
S2 Cs2 Sb2 111.62(4) 5_556 4_546 ?
S2 Cs2 Sb2 66.45(4) 6_556 4_546 ?
S6 Cs2 Sb2 123.93(4) 2_556 4_546 ?
S6 Cs2 Sb2 51.12(4) . 4_546 ?
Sb1 Cs2 Sb2 85.703(19) . 4_546 ?
Sb1 Cs2 Sb2 148.065(19) 2_556 4_546 ?
S9 Cs2 Sb2 43.16(4) 6_556 4_546 ?
S9 Cs2 Sb2 163.69(4) 5_556 4_546 ?
Sb2 Cs2 Sb2 123.21(3) 3_445 4_546 ?
S7 Ag1 S7 137.31(5) 6 7_556 ?
S7 Ag1 S9 105.99(8) 6 . ?
S7 Ag1 S9 97.88(8) 7_556 . ?
S7 Ag1 S8 99.08(8) 6 7_556 ?
S7 Ag1 S8 95.16(8) 7_556 7_556 ?
S9 Ag1 S8 125.11(7) . 7_556 ?
S7 Ag1 Cs3 74.19(6) 6 . ?
S7 Ag1 Cs3 147.79(6) 7_556 . ?
S9 Ag1 Cs3 73.14(5) . . ?
S8 Ag1 Cs3 68.00(5) 7_556 . ?
S7 Ag1 Cs3 69.46(6) 6 4 ?
S7 Ag1 Cs3 68.43(6) 7_556 4 ?
S9 Ag1 Cs3 115.33(6) . 4 ?
S8 Ag1 Cs3 119.07(5) 7_556 4 ?
Cs3 Ag1 Cs3 143.61(2) . 4 ?
Sb3 S1 Sb1 103.22(8) 7_556 4_546 ?
Sb3 S1 Cs2 102.60(7) 7_556 3 ?
Sb1 S1 Cs2 147.58(8) 4_546 3 ?
Sb4 S9 Ag1 113.58(9) . . ?
Sb4 S9 Cs3 78.87(6) . . ?
Ag1 S9 Cs3 66.65(5) . . ?
Sb4 S9 Cs2 97.58(7) . 5_556 ?
Ag1 S9 Cs2 138.60(8) . 5_556 ?
Cs3 S9 Cs2 149.89(7) . 5_556 ?
Sb2 S8 Sb3 101.98(8) 7_556 . ?
Sb2 S8 Ag1 132.98(9) 7_556 7_556 ?
Sb3 S8 Ag1 124.91(8) . 7_556 ?
Sb2 S8 Cs3 87.96(6) 7_556 1_565 ?
Sb3 S8 Cs3 119.24(7) . 1_565 ?
Ag1 S8 Cs3 67.60(5) 7_556 1_565 ?
Sb1 S10 Sb2 107.54(8) . 4_556 ?
Sb1 S10 Cs3 101.62(7) . 4_556 ?
Sb2 S10 Cs3 96.62(7) 4_556 4_556 ?
Sb1 S6 Sb4 95.04(8) 6 . ?
Sb1 S6 Cs2 113.08(8) 6 . ?
Sb4 S6 Cs2 102.24(7) . . ?
Sb1 S6 Cs3 88.90(6) 6 . ?
Sb4 S6 Cs3 78.17(6) . . ?
Cs2 S6 Cs3 157.74(7) . . ?
Sb2 S7 Ag1 106.52(9) . 6_556 ?
Sb2 S7 Ag1 94.55(8) . 7_556 ?
Ag1 S7 Ag1 141.44(10) 6_556 7_556 ?
Sb2 S7 Cs3 106.71(8) . 4_556 ?
Ag1 S7 Cs3 68.17(6) 6_556 4_556 ?
Ag1 S7 Cs3 75.05(6) 7_556 4_556 ?
Sb2 S7 Cs3 85.05(6) . . ?
Ag1 S7 Cs3 74.48(6) 6_556 . ?
Ag1 S7 Cs3 140.62(9) 7_556 . ?
Cs3 S7 Cs3 142.61(6) 4_556 . ?
Sb3 S2 Sb4 95.72(8) . . ?
Sb3 S2 Cs2 102.90(7) . 5_556 ?
Sb4 S2 Cs2 106.02(7) . 5_556 ?


_refine_diff_density_max         3.032
_refine_diff_density_min         -3.339
_refine_diff_density_rms         0.530



####################################################################### 
# 
# 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 2339991'
_audit_update_record             
;
2024-03-13 deposited with the CCDC.	2024-09-12 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            'Ag2 Cs2 S5 Sb2'
_chemical_formula_weight         885.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

_cell_length_a                   10.7773(15)
_cell_length_b                   6.9250(10)
_cell_length_c                   34.247(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2555.9(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9917
_cell_measurement_theta_min      3.57
_cell_measurement_theta_max      64.19

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.602
_exptl_crystal_F_000             3088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    13.578
_shelx_estimated_absorpt_T_min   0.106
_shelx_estimated_absorpt_T_max   0.194
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2500
_exptl_absorpt_correction_T_max  0.7525
_exptl_absorpt_process_details   ?
_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17547
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.189
_diffrn_reflns_theta_max         28.505
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3142
_reflns_number_gt                2858
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1932P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3142
_refine_ls_number_parameters     100
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0505
_refine_ls_wR_factor_ref         0.2318
_refine_ls_wR_factor_gt          0.2245
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_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
Cs1 Cs 0.35384(6) 0.23130(13) 0.48037(2) 0.0152(3) Uani 1 1 d . . . . .
Cs2 Cs 0.61543(7) -0.05271(11) 0.71551(2) 0.0167(3) Uani 1 1 d . . . . .
Ag1 Ag 0.14091(9) 0.04366(14) 0.57534(3) 0.0152(3) Uani 1 1 d . . . . .
Ag2 Ag 0.36710(9) 0.47430(15) 0.37715(3) 0.0162(3) Uani 1 1 d . . . . .
Sb1 Sb 0.15506(6) 0.00077(12) 0.66185(2) 0.0095(3) Uani 1 1 d . . . . .
Sb2 Sb 0.46111(6) 0.08272(11) 0.60622(2) 0.0092(3) Uani 1 1 d . . . . .
S1 S -0.0399(2) -0.0612(4) 0.69145(8) 0.0123(6) Uani 1 1 d . . . . .
S2 S 0.2996(3) -0.2061(4) 0.70122(8) 0.0147(6) Uani 1 1 d . . . . .
S3 S 0.0455(2) 0.1700(4) 0.43681(8) 0.0128(6) Uani 1 1 d . . . . .
S4 S 0.3560(2) 0.1079(5) 0.38364(8) 0.0142(6) Uani 1 1 d . . . . .
S5 S 0.6483(2) 0.1082(5) 0.44293(8) 0.0118(6) Uani 1 1 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
Cs1 S4 3.421(3) . ?
Cs1 S5 3.525(3) 5_656 ?
Cs1 S5 3.527(3) . ?
Cs1 S3 3.554(3) 8_665 ?
Cs1 S3 3.575(3) 4_556 ?
Cs1 S5 3.612(3) 4_456 ?
Cs1 S3 3.667(3) . ?
Cs1 Ag1 3.9063(13) 8_665 ?
Cs1 Ag2 3.9178(13) . ?
Cs1 Ag1 3.9548(12) 4_556 ?
Cs1 Cs1 4.1229(8) 8_665 ?
Cs1 Cs1 4.1229(8) 8_655 ?
Cs2 S4 3.431(3) 5_656 ?
Cs2 S1 3.596(3) 8_665 ?
Cs2 S2 3.599(3) . ?
Cs2 S1 3.600(3) 6_657 ?
Cs2 S2 3.633(3) 6_657 ?
Cs2 S1 3.707(3) 8_655 ?
Cs2 S1 3.806(3) 1_655 ?
Cs2 S2 3.838(3) 3_656 ?
Cs2 Sb2 4.2019(11) . ?
Cs2 Ag2 4.2096(13) 4_556 ?
Cs2 Sb1 4.2378(11) 6_657 ?
Cs2 Ag2 4.3162(13) 5_656 ?
Ag1 S5 2.492(3) 4_456 ?
Ag1 S3 2.530(3) 5_556 ?
Ag1 S5 2.581(3) 5_656 ?
Ag1 Sb1 2.9816(12) . ?
Ag1 Ag2 3.3721(14) 4_456 ?
Ag2 S4 2.550(4) . ?
Ag2 S4 2.585(3) 8_665 ?
Ag2 S1 2.624(3) 4_556 ?
Ag2 S3 2.626(3) 8_665 ?
Sb1 S1 2.372(3) . ?
Sb1 S2 2.486(3) 8_665 ?
Sb1 S2 2.509(3) . ?
Sb2 S4 2.398(3) 5_656 ?
Sb2 S3 2.435(3) 4_556 ?
Sb2 S5 2.443(3) 5_656 ?

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
S4 Cs1 S5 123.71(8) . 5_656 ?
S4 Cs1 S5 65.26(6) . . ?
S5 Cs1 S5 96.63(6) 5_656 . ?
S4 Cs1 S3 78.76(8) . 8_665 ?
S5 Cs1 S3 152.23(7) 5_656 8_665 ?
S5 Cs1 S3 77.26(7) . 8_665 ?
S4 Cs1 S3 144.30(7) . 4_556 ?
S5 Cs1 S3 62.62(7) 5_656 4_556 ?
S5 Cs1 S3 79.33(6) . 4_556 ?
S3 Cs1 S3 89.61(7) 8_665 4_556 ?
S4 Cs1 S5 141.74(6) . 4_456 ?
S5 Cs1 S5 70.09(6) 5_656 4_456 ?
S5 Cs1 S5 152.96(5) . 4_456 ?
S3 Cs1 S5 103.26(7) 8_665 4_456 ?
S3 Cs1 S5 73.66(6) 4_556 4_456 ?
S4 Cs1 S3 65.37(6) . . ?
S5 Cs1 S3 102.72(7) 5_656 . ?
S5 Cs1 S3 129.74(7) . . ?
S3 Cs1 S3 101.81(8) 8_665 . ?
S3 Cs1 S3 150.29(6) 4_556 . ?
S5 Cs1 S3 77.04(6) 4_456 . ?
S4 Cs1 Ag1 160.80(7) . 8_665 ?
S5 Cs1 Ag1 75.46(5) 5_656 8_665 ?
S5 Cs1 Ag1 115.06(5) . 8_665 ?
S3 Cs1 Ag1 82.63(5) 8_665 8_665 ?
S3 Cs1 Ag1 39.21(5) 4_556 8_665 ?
S5 Cs1 Ag1 39.91(5) 4_456 8_665 ?
S3 Cs1 Ag1 114.58(5) . 8_665 ?
S4 Cs1 Ag2 39.94(6) . . ?
S5 Cs1 Ag2 163.54(6) 5_656 . ?
S5 Cs1 Ag2 75.10(5) . . ?
S3 Cs1 Ag2 40.79(5) 8_665 . ?
S3 Cs1 Ag2 127.78(5) 4_556 . ?
S5 Cs1 Ag2 123.12(5) 4_456 . ?
S3 Cs1 Ag2 73.48(5) . . ?
Ag1 Cs1 Ag2 120.85(3) 8_665 . ?
S4 Cs1 Ag1 68.04(5) . 4_556 ?
S5 Cs1 Ag1 128.85(5) 5_656 4_556 ?
S5 Cs1 Ag1 38.38(6) . 4_556 ?
S3 Cs1 Ag1 38.92(5) 8_665 4_556 ?
S3 Cs1 Ag1 81.68(5) 4_556 4_556 ?
S5 Cs1 Ag1 135.19(5) 4_456 4_556 ?
S3 Cs1 Ag1 123.93(5) . 4_556 ?
Ag1 Cs1 Ag1 99.91(3) 8_665 4_556 ?
Ag2 Cs1 Ag1 50.72(2) . 4_556 ?
S4 Cs1 Cs1 102.32(6) . 8_665 ?
S5 Cs1 Cs1 123.82(5) 5_656 8_665 ?
S5 Cs1 Cs1 133.74(6) . 8_665 ?
S3 Cs1 Cs1 56.48(5) 8_665 8_665 ?
S3 Cs1 Cs1 98.81(5) 4_556 8_665 ?
S5 Cs1 Cs1 53.74(5) 4_456 8_665 ?
S3 Cs1 Cs1 66.75(5) . 8_665 ?
Ag1 Cs1 Cs1 62.794(18) 8_665 8_665 ?
Ag2 Cs1 Cs1 70.068(18) . 8_665 ?
Ag1 Cs1 Cs1 95.38(2) 4_556 8_665 ?
S4 Cs1 Cs1 78.11(6) . 8_655 ?
S5 Cs1 Cs1 55.70(5) 5_656 8_655 ?
S5 Cs1 Cs1 106.58(6) . 8_655 ?
S3 Cs1 Cs1 152.07(5) 8_665 8_655 ?
S3 Cs1 Cs1 118.31(5) 4_556 8_655 ?
S5 Cs1 Cs1 85.73(5) 4_456 8_655 ?
S3 Cs1 Cs1 53.91(5) . 8_655 ?
Ag1 Cs1 Cs1 118.22(2) 8_665 8_655 ?
Ag2 Cs1 Cs1 112.37(2) . 8_655 ?
Ag1 Cs1 Cs1 139.08(2) 4_556 8_655 ?
Cs1 Cs1 Cs1 114.24(3) 8_665 8_655 ?
S4 Cs2 S1 84.21(8) 5_656 8_665 ?
S4 Cs2 S2 85.27(7) 5_656 . ?
S1 Cs2 S2 91.95(7) 8_665 . ?
S4 Cs2 S1 156.35(7) 5_656 6_657 ?
S1 Cs2 S1 96.49(7) 8_665 6_657 ?
S2 Cs2 S1 71.08(6) . 6_657 ?
S4 Cs2 S2 134.04(7) 5_656 6_657 ?
S1 Cs2 S2 125.47(7) 8_665 6_657 ?
S2 Cs2 S2 122.49(7) . 6_657 ?
S1 Cs2 S2 63.55(6) 6_657 6_657 ?
S4 Cs2 S1 72.18(8) 5_656 8_655 ?
S1 Cs2 S1 143.00(9) 8_665 8_655 ?
S2 Cs2 S1 58.78(7) . 8_655 ?
S1 Cs2 S1 94.54(7) 6_657 8_655 ?
S2 Cs2 S1 90.96(7) 6_657 8_655 ?
S4 Cs2 S1 72.32(6) 5_656 1_655 ?
S1 Cs2 S1 100.72(7) 8_665 1_655 ?
S2 Cs2 S1 152.78(7) . 1_655 ?
S1 Cs2 S1 130.19(5) 6_657 1_655 ?
S2 Cs2 S1 68.42(6) 6_657 1_655 ?
S1 Cs2 S1 98.72(7) 8_655 1_655 ?
S4 Cs2 S2 141.58(8) 5_656 3_656 ?
S1 Cs2 S2 68.42(7) 8_665 3_656 ?
S2 Cs2 S2 120.74(5) . 3_656 ?
S1 Cs2 S2 57.56(6) 6_657 3_656 ?
S2 Cs2 S2 57.95(5) 6_657 3_656 ?
S1 Cs2 S2 144.26(6) 8_655 3_656 ?
S1 Cs2 S2 86.42(6) 1_655 3_656 ?
S4 Cs2 Sb2 34.80(5) 5_656 . ?
S1 Cs2 Sb2 59.67(5) 8_665 . ?
S2 Cs2 Sb2 64.56(5) . . ?
S1 Cs2 Sb2 127.45(5) 6_657 . ?
S2 Cs2 Sb2 168.72(5) 6_657 . ?
S1 Cs2 Sb2 85.82(5) 8_655 . ?
S1 Cs2 Sb2 101.36(5) 1_655 . ?
S2 Cs2 Sb2 128.07(5) 3_656 . ?
S4 Cs2 Ag2 37.85(5) 5_656 4_556 ?
S1 Cs2 Ag2 81.44(5) 8_665 4_556 ?
S2 Cs2 Ag2 123.02(5) . 4_556 ?
S1 Cs2 Ag2 165.69(5) 6_657 4_556 ?
S2 Cs2 Ag2 106.11(5) 6_657 4_556 ?
S1 Cs2 Ag2 95.54(5) 8_655 4_556 ?
S1 Cs2 Ag2 37.80(4) 1_655 4_556 ?
S2 Cs2 Ag2 109.00(5) 3_656 4_556 ?
Sb2 Cs2 Ag2 63.56(2) . 4_556 ?
S4 Cs2 Sb1 168.97(5) 5_656 6_657 ?
S1 Cs2 Sb1 99.62(5) 8_665 6_657 ?
S2 Cs2 Sb1 104.82(5) . 6_657 ?
S1 Cs2 Sb1 34.01(5) 6_657 6_657 ?
S2 Cs2 Sb1 36.16(5) 6_657 6_657 ?
S1 Cs2 Sb1 108.99(5) 8_655 6_657 ?
S1 Cs2 Sb1 96.75(5) 1_655 6_657 ?
S2 Cs2 Sb1 35.41(5) 3_656 6_657 ?
Sb2 Cs2 Sb1 154.58(3) . 6_657 ?
Ag2 Cs2 Sb1 132.14(3) 4_556 6_657 ?
S4 Cs2 Ag2 36.20(6) 5_656 5_656 ?
S1 Cs2 Ag2 118.80(5) 8_665 5_656 ?
S2 Cs2 Ag2 75.03(5) . 5_656 ?
S1 Cs2 Ag2 131.30(5) 6_657 5_656 ?
S2 Cs2 Ag2 110.83(5) 6_657 5_656 ?
S1 Cs2 Ag2 37.21(5) 8_655 5_656 ?
S1 Cs2 Ag2 77.75(5) 1_655 5_656 ?
S2 Cs2 Ag2 163.51(5) 3_656 5_656 ?
Sb2 Cs2 Ag2 60.88(2) . 5_656 ?
Ag2 Cs2 Ag2 60.32(2) 4_556 5_656 ?
Sb1 Cs2 Ag2 141.57(3) 6_657 5_656 ?
S5 Ag1 S3 123.36(9) 4_456 5_556 ?
S5 Ag1 S5 107.78(8) 4_456 5_656 ?
S3 Ag1 S5 114.91(10) 5_556 5_656 ?
S5 Ag1 Sb1 110.13(7) 4_456 . ?
S3 Ag1 Sb1 98.38(7) 5_556 . ?
S5 Ag1 Sb1 98.93(7) 5_656 . ?
S5 Ag1 Ag2 100.64(7) 4_456 4_456 ?
S3 Ag1 Ag2 50.41(7) 5_556 4_456 ?
S5 Ag1 Ag2 150.74(8) 5_656 4_456 ?
Sb1 Ag1 Ag2 64.00(3) . 4_456 ?
S5 Ag1 Cs1 109.05(7) 4_456 8_655 ?
S3 Ag1 Cs1 63.30(7) 5_556 8_655 ?
S5 Ag1 Cs1 63.88(6) 5_656 8_655 ?
Sb1 Ag1 Cs1 140.48(4) . 8_655 ?
Ag2 Ag1 Cs1 113.20(3) 4_456 8_655 ?
S5 Ag1 Cs1 61.48(6) 4_456 4_456 ?
S3 Ag1 Cs1 61.95(7) 5_556 4_456 ?
S5 Ag1 Cs1 137.09(7) 5_656 4_456 ?
Sb1 Ag1 Cs1 123.96(3) . 4_456 ?
Ag2 Ag1 Cs1 64.07(3) 4_456 4_456 ?
Cs1 Ag1 Cs1 80.09(3) 8_655 4_456 ?
S5 Ag1 Cs1 59.16(6) 4_456 . ?
S3 Ag1 Cs1 119.28(7) 5_556 . ?
S5 Ag1 Cs1 57.02(7) 5_656 . ?
Sb1 Ag1 Cs1 140.78(3) . . ?
Ag2 Ag1 Cs1 149.98(3) 4_456 . ?
Cs1 Ag1 Cs1 61.13(2) 8_655 . ?
Cs1 Ag1 Cs1 86.09(2) 4_456 . ?
S4 Ag2 S4 107.75(9) . 8_665 ?
S4 Ag2 S1 108.92(10) . 4_556 ?
S4 Ag2 S1 110.50(10) 8_665 4_556 ?
S4 Ag2 S3 117.55(10) . 8_665 ?
S4 Ag2 S3 94.69(9) 8_665 8_665 ?
S1 Ag2 S3 116.18(10) 4_556 8_665 ?
S4 Ag2 Ag1 87.85(7) . 4_556 ?
S4 Ag2 Ag1 141.76(7) 8_665 4_556 ?
S1 Ag2 Ag1 96.09(7) 4_556 4_556 ?
S3 Ag2 Ag1 47.92(7) 8_665 4_556 ?
S4 Ag2 Cs1 59.48(7) . . ?
S4 Ag2 Cs1 92.42(7) 8_665 . ?
S1 Ag2 Cs1 156.96(7) 4_556 . ?
S3 Ag2 Cs1 62.15(7) 8_665 . ?
Ag1 Ag2 Cs1 65.21(3) 4_556 . ?
S4 Ag2 Cs2 99.42(7) . 4_456 ?
S4 Ag2 Cs2 54.52(7) 8_665 4_456 ?
S1 Ag2 Cs2 62.72(6) 4_556 4_456 ?
S3 Ag2 Cs2 138.67(7) 8_665 4_456 ?
Ag1 Ag2 Cs2 158.80(3) 4_556 4_456 ?
Cs1 Ag2 Cs2 135.41(3) . 4_456 ?
S4 Ag2 Cs2 52.63(7) . 5_656 ?
S4 Ag2 Cs2 110.23(7) 8_665 5_656 ?
S1 Ag2 Cs2 58.68(7) 4_556 5_656 ?
S3 Ag2 Cs2 154.87(7) 8_665 5_656 ?
Ag1 Ag2 Cs2 106.96(3) 4_556 5_656 ?
Cs1 Ag2 Cs2 111.99(3) . 5_656 ?
Cs2 Ag2 Cs2 63.97(2) 4_456 5_656 ?
S1 Sb1 S2 95.17(10) . 8_665 ?
S1 Sb1 S2 102.53(10) . . ?
S2 Sb1 S2 93.02(8) 8_665 . ?
S1 Sb1 Ag1 113.42(7) . . ?
S2 Sb1 Ag1 117.89(8) 8_665 . ?
S2 Sb1 Ag1 128.51(7) . . ?
S1 Sb1 Cs2 58.08(7) . 6_557 ?
S2 Sb1 Cs2 63.49(7) 8_665 6_557 ?
S2 Sb1 Cs2 58.67(7) . 6_557 ?
Ag1 Sb1 Cs2 171.26(3) . 6_557 ?
S4 Sb2 S3 99.65(10) 5_656 4_556 ?
S4 Sb2 S5 101.46(11) 5_656 5_656 ?
S3 Sb2 S5 98.28(10) 4_556 5_656 ?
S4 Sb2 Cs1 54.87(7) 5_656 5_656 ?
S3 Sb2 Cs1 76.03(7) 4_556 5_656 ?
S5 Sb2 Cs1 57.35(6) 5_656 5_656 ?
S4 Sb2 Cs2 54.73(7) 5_656 . ?
S3 Sb2 Cs2 123.23(7) 4_556 . ?
S5 Sb2 Cs2 133.14(8) 5_656 . ?
Cs1 Sb2 Cs2 109.07(2) 5_656 . ?
Sb1 S1 Ag2 85.08(9) . 4_456 ?
Sb1 S1 Cs2 118.02(10) . 8_655 ?
Ag2 S1 Cs2 109.62(9) 4_456 8_655 ?
Sb1 S1 Cs2 87.91(8) . 6_557 ?
Ag2 S1 Cs2 165.09(11) 4_456 6_557 ?
Cs2 S1 Cs2 85.29(6) 8_655 6_557 ?
Sb1 S1 Cs2 96.76(9) . 8_665 ?
Ag2 S1 Cs2 84.11(8) 4_456 8_665 ?
Cs2 S1 Cs2 142.99(8) 8_655 8_665 ?
Cs2 S1 Cs2 83.68(6) 6_557 8_665 ?
Sb1 S1 Cs2 162.63(11) . 1_455 ?
Ag2 S1 Cs2 79.48(7) 4_456 1_455 ?
Cs2 S1 Cs2 75.16(5) 8_655 1_455 ?
Cs2 S1 Cs2 105.19(7) 6_557 1_455 ?
Cs2 S1 Cs2 73.91(5) 8_665 1_455 ?
Sb1 S2 Sb1 107.26(11) 8_655 . ?
Sb1 S2 Cs2 97.40(9) 8_655 . ?
Sb1 S2 Cs2 119.46(10) . . ?
Sb1 S2 Cs2 140.53(11) 8_655 6_557 ?
Sb1 S2 Cs2 85.17(8) . 6_557 ?
Cs2 S2 Cs2 108.89(7) . 6_557 ?
Sb1 S2 Cs2 81.10(8) 8_655 3_646 ?
Sb1 S2 Cs2 154.74(11) . 3_646 ?
Cs2 S2 Cs2 81.83(6) . 3_646 ?
Cs2 S2 Cs2 74.34(6) 6_557 3_646 ?
Sb2 S3 Ag1 90.86(9) 4_456 5_556 ?
Sb2 S3 Ag2 91.49(10) 4_456 8_655 ?
Ag1 S3 Ag2 81.66(9) 5_556 8_655 ?
Sb2 S3 Cs1 165.70(12) 4_456 8_655 ?
Ag1 S3 Cs1 79.13(8) 5_556 8_655 ?
Ag2 S3 Cs1 77.06(7) 8_655 8_655 ?
Sb2 S3 Cs1 97.45(9) 4_456 4_456 ?
Ag1 S3 Cs1 77.48(7) 5_556 4_456 ?
Ag2 S3 Cs1 157.38(11) 8_655 4_456 ?
Cs1 S3 Cs1 90.39(7) 8_655 4_456 ?
Sb2 S3 Cs1 120.22(10) 4_456 . ?
Ag1 S3 Cs1 148.69(11) 5_556 . ?
Ag2 S3 Cs1 92.94(8) 8_655 . ?
Cs1 S3 Cs1 69.61(5) 8_655 . ?
Cs1 S3 Cs1 100.30(7) 4_456 . ?
Sb2 S4 Ag2 121.45(12) 5_656 . ?
Sb2 S4 Ag2 125.44(15) 5_656 8_655 ?
Ag2 S4 Ag2 113.10(11) . 8_655 ?
Sb2 S4 Cs1 90.15(8) 5_656 . ?
Ag2 S4 Cs1 80.57(9) . . ?
Ag2 S4 Cs1 99.58(9) 8_655 . ?
Sb2 S4 Cs2 90.47(9) 5_656 5_656 ?
Ag2 S4 Cs2 91.17(9) . 5_656 ?
Ag2 S4 Cs2 87.63(8) 8_655 5_656 ?
Cs1 S4 Cs2 170.66(12) . 5_656 ?
Sb2 S5 Ag1 109.59(11) 5_656 4_556 ?
Sb2 S5 Ag1 92.14(10) 5_656 5_656 ?
Ag1 S5 Ag1 111.18(11) 4_556 5_656 ?
Sb2 S5 Cs1 98.59(10) 5_656 5_656 ?
Ag1 S5 Cs1 146.31(11) 4_556 5_656 ?
Ag1 S5 Cs1 85.10(8) 5_656 5_656 ?
Sb2 S5 Cs1 86.97(7) 5_656 . ?
Ag1 S5 Cs1 80.14(8) 4_556 . ?
Ag1 S5 Cs1 168.16(12) 5_656 . ?
Cs1 S5 Cs1 83.37(6) 5_656 . ?
Sb2 S5 Cs1 164.47(12) 5_656 4_556 ?
Ag1 S5 Cs1 84.51(8) 4_556 4_556 ?
Ag1 S5 Cs1 76.21(7) 5_656 4_556 ?
Cs1 S5 Cs1 70.57(5) 5_656 4_556 ?
Cs1 S5 Cs1 102.30(7) . 4_556 ?

_refine_diff_density_max         3.915
_refine_diff_density_min         -4.176
_refine_diff_density_rms         0.532



