# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2041843'
loop_
_audit_author_name
_audit_author_address
AgSbS
;tongji university
China
;
_audit_update_record             
;
2020-11-02 deposited with the CCDC.	2021-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C H5 Ag2 N S3 Sb'
_chemical_formula_weight         464.73

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   6.4223(3)
_cell_length_b                   19.5157(8)
_cell_length_c                   6.7998(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.5330(10)
_cell_angle_gamma                90.00
_cell_volume                     755.73(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    13582
_cell_measurement_theta_min      3.54
_cell_measurement_theta_max      27.50

_exptl_crystal_description       flake-shaped
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.085
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             844
_exptl_absorpt_coefficient_mu    9.406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5199
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13582
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         3.54
_diffrn_reflns_theta_max         27.50
_reflns_number_total             1729
_reflns_number_gt                1523
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0293P)²+9.4757P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1729
_refine_ls_number_parameters     83
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.0811
_refine_ls_wR_factor_gt          0.0781
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.101
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.36563(8) 0.18920(2) 0.05276(7) 0.01455(13) Uani 1 1 d . . .
Ag1 Ag 0.62162(12) 0.17951(3) 0.67067(11) 0.03416(18) Uani 1 1 d . . .
Ag2 Ag 0.95269(12) 0.18667(4) 0.44743(14) 0.0455(2) Uani 1 1 d . . .
S1 S 0.5948(3) 0.10928(9) 0.3449(3) 0.0188(3) Uani 1 1 d . . .
S2 S 0.2950(3) 0.11715(9) -0.2590(3) 0.0213(4) Uani 1 1 d . . .
S3 S -0.0134(3) 0.18617(9) 0.0559(3) 0.0199(4) Uani 1 1 d . . .
N1 N 0.723(2) 0.0221(6) 1.008(2) 0.027(3) Uani 0.50 1 d P . .
H1A H 0.8144 0.0444 1.1480 0.041 Uiso 0.50 1 d PR . .
H1B H 0.5980 0.0517 0.9125 0.041 Uiso 0.50 1 d PR . .
H1E H 0.6588 -0.0197 1.0318 0.041 Uiso 0.50 1 d PR . .
N2 N 0.948(3) -0.0228(9) 0.717(3) 0.047(4) Uani 0.50 1 d P . .
H2A H 1.1104 -0.0139 0.7610 0.071 Uiso 0.50 1 d PR . .
H2B H 0.9195 -0.0713 0.7005 0.071 Uiso 0.50 1 d PR . .
H2C H 0.8522 -0.0004 0.5786 0.071 Uiso 0.50 1 d PR . .
C1 C 0.8854(16) 0.0058(5) 0.9016(17) 0.047(2) Uani 1 1 d D . .
H1C H 0.8293(17) -0.0349(6) 0.9095(18) 0.071 Uiso 1 1 d RD . .
H1D H 0.8525(17) 0.0474(6) 0.8307(18) 0.071 Uiso 1 1 d RD . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sb1 0.0143(2) 0.0131(2) 0.0164(2) -0.00131(16) 0.00731(17) -0.00226(16)
Ag1 0.0422(4) 0.0381(4) 0.0267(3) -0.0055(3) 0.0198(3) -0.0023(3)
Ag2 0.0259(4) 0.0356(4) 0.0558(5) 0.0051(3) 0.0026(3) -0.0082(3)
S1 0.0191(8) 0.0196(8) 0.0149(8) -0.0002(6) 0.0055(6) 0.0007(6)
S2 0.0244(9) 0.0245(9) 0.0151(8) -0.0017(7) 0.0093(7) 0.0006(7)
S3 0.0146(8) 0.0275(9) 0.0189(8) 0.0009(7) 0.0089(6) -0.0005(7)
N1 0.027(7) 0.017(6) 0.043(8) 0.001(5) 0.020(6) 0.005(5)
N2 0.066(11) 0.042(9) 0.037(9) -0.016(7) 0.027(8) -0.001(8)
C1 0.038(5) 0.036(5) 0.058(7) 0.011(5) 0.013(5) -0.002(4)

_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
Sb1 S2 2.4059(18) . ?
Sb1 S1 2.4168(17) . ?
Sb1 S3 2.4446(17) . ?
Sb1 Ag1 2.9482(8) 4_565 ?
Ag1 S1 2.5424(18) . ?
Ag1 S3 2.5877(19) 1_656 ?
Ag1 S2 2.653(2) 1_556 ?
Ag1 Sb1 2.9482(8) 4_566 ?
Ag1 Ag2 3.1350(11) . ?
Ag1 Ag2 3.3441(10) 4_566 ?
Ag2 S1 2.5627(19) . ?
Ag2 S3 2.569(2) 4_666 ?
Ag2 S2 2.5693(19) 1_656 ?
Ag2 S3 2.770(2) 1_655 ?
Ag2 Ag1 3.3441(10) 4_565 ?
S2 Ag2 2.5693(19) 1_454 ?
S2 Ag1 2.653(2) 1_554 ?
S3 Ag2 2.569(2) 4_465 ?
S3 Ag1 2.5877(19) 1_454 ?
S3 Ag2 2.770(2) 1_455 ?
N1 C1 1.552(17) . ?
N2 C1 1.584(18) . ?
C1 C1 1.479(19) 3_757 ?

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
S2 Sb1 S1 98.17(6) . . ?
S2 Sb1 S3 102.16(6) . . ?
S1 Sb1 S3 102.00(6) . . ?
S2 Sb1 Ag1 127.00(5) . 4_565 ?
S1 Sb1 Ag1 106.62(5) . 4_565 ?
S3 Sb1 Ag1 116.80(5) . 4_565 ?
S1 Ag1 S3 125.02(6) . 1_656 ?
S1 Ag1 S2 99.74(6) . 1_556 ?
S3 Ag1 S2 105.21(6) 1_656 1_556 ?
S1 Ag1 Sb1 115.27(5) . 4_566 ?
S3 Ag1 Sb1 111.22(5) 1_656 4_566 ?
S2 Ag1 Sb1 93.43(5) 1_556 4_566 ?
S1 Ag1 Ag2 52.41(4) . . ?
S3 Ag1 Ag2 89.31(4) 1_656 . ?
S2 Ag1 Ag2 151.34(5) 1_556 . ?
Sb1 Ag1 Ag2 104.32(3) 4_566 . ?
S1 Ag1 Ag2 132.90(5) . 4_566 ?
S3 Ag1 Ag2 49.33(4) 1_656 4_566 ?
S2 Ag1 Ag2 127.37(5) 1_556 4_566 ?
Sb1 Ag1 Ag2 66.67(2) 4_566 4_566 ?
Ag2 Ag1 Ag2 80.83(2) . 4_566 ?
S1 Ag2 S3 126.43(6) . 4_666 ?
S1 Ag2 S2 103.76(6) . 1_656 ?
S3 Ag2 S2 111.01(6) 4_666 1_656 ?
S1 Ag2 S3 101.27(6) . 1_655 ?
S3 Ag2 S3 104.20(5) 4_666 1_655 ?
S2 Ag2 S3 109.01(6) 1_656 1_655 ?
S1 Ag2 Ag1 51.82(4) . . ?
S3 Ag2 Ag1 83.72(5) 4_666 . ?
S2 Ag2 Ag1 97.39(5) 1_656 . ?
S3 Ag2 Ag1 146.88(4) 1_655 . ?
S1 Ag2 Ag1 92.87(4) . 4_565 ?
S3 Ag2 Ag1 49.82(4) 4_666 4_565 ?
S2 Ag2 Ag1 160.51(5) 1_656 4_565 ?
S3 Ag2 Ag1 76.93(4) 1_655 4_565 ?
Ag1 Ag2 Ag1 84.85(3) . 4_565 ?
Sb1 S1 Ag1 97.96(6) . . ?
Sb1 S1 Ag2 88.41(6) . . ?
Ag1 S1 Ag2 75.77(5) . . ?
Sb1 S2 Ag2 96.95(7) . 1_454 ?
Sb1 S2 Ag1 92.75(6) . 1_554 ?
Ag2 S2 Ag1 94.68(6) 1_454 1_554 ?
Sb1 S3 Ag2 85.81(6) . 4_465 ?
Sb1 S3 Ag1 115.61(7) . 1_454 ?
Ag2 S3 Ag1 80.85(6) 4_465 1_454 ?
Sb1 S3 Ag2 121.96(7) . 1_455 ?
Ag2 S3 Ag2 103.80(7) 4_465 1_455 ?
Ag1 S3 Ag2 122.42(7) 1_454 1_455 ?
C1 C1 N1 102.2(12) 3_757 . ?
C1 C1 N2 98.7(12) 3_757 . ?
N1 C1 N2 155.8(11) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.903
_refine_diff_density_min         -2.661
_refine_diff_density_rms         0.254
####################################################################### 
# 
# 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_s_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2041844'
loop_
_audit_author_name
_audit_author_address
AgSbS
;tongji university
China
;
_audit_update_record             
;
2020-11-02 deposited with the CCDC.	2021-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 H9 Ag2 N2 S3 Sb'
_chemical_formula_weight         494.78

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Pc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'

_cell_length_a                   6.1891(12)
_cell_length_b                   11.953(2)
_cell_length_c                   7.422(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 119.46(2)
_cell_angle_gamma                90.00
_cell_volume                     478.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8335
_cell_measurement_theta_min      3.41
_cell_measurement_theta_max      27.50

_exptl_crystal_description       flake-shaped
_exptl_crystal_colour            dark
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             456
_exptl_absorpt_coefficient_mu    7.448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6060
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8335
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_sigmaI/netI    0.0607
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.41
_diffrn_reflns_theta_max         27.50
_reflns_number_total             2076
_reflns_number_gt                1712
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0158P)²+1.0288P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         2076
_refine_ls_number_parameters     92
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.0591
_refine_ls_wR_factor_gt          0.0552
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.275
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.77991(10) -0.10427(6) -0.30503(9) 0.01446(17) Uani 1 1 d . . .
Ag1 Ag -1.19071(16) -0.10399(8) -0.81357(15) 0.0316(3) Uani 1 1 d . . .
Ag2 Ag -0.59383(18) -0.11660(7) -0.71945(15) 0.0295(2) Uani 1 1 d . . .
S1 S -0.8367(5) -0.2320(2) -0.5779(4) 0.0182(6) Uani 1 1 d . . .
S2 S -1.1922(5) -0.1005(2) -0.3479(5) 0.0203(6) Uani 1 1 d . . .
S3 S -0.5775(5) -0.2291(2) -0.0100(4) 0.0161(6) Uani 1 1 d . . .
N1 N -0.2905(19) -0.6177(8) -0.0184(17) 0.034(3) Uani 1 1 d D . .
H1A H -0.1930 -0.6553 -0.0479 0.051 Uiso 1 1 d R . .
H1B H -0.4348 -0.6534 -0.0683 0.051 Uiso 1 1 d R . .
N2 N -0.1297(18) -0.3432(7) -0.0979(15) 0.025(2) Uani 1 1 d D . .
H2A H -0.1917 -0.3546 -0.2330 0.037 Uiso 1 1 calc R . .
H2B H 0.0136 -0.3066 -0.0479 0.037 Uiso 1 1 calc R . .
H2C H -0.2363 -0.3028 -0.0771 0.037 Uiso 1 1 calc R . .
C1 C -0.332(2) -0.5133(9) -0.1114(17) 0.024(3) Uani 1 1 d . . .
H1C H -0.4646 -0.4752 -0.1029 0.029 Uiso 1 1 calc R . .
H1D H -0.3786 -0.5213 -0.2562 0.029 Uiso 1 1 calc R . .
C2 C -0.090(2) -0.4461(10) 0.0028(18) 0.028(3) Uani 1 1 d . . .
H2D H -0.0475 -0.4348 0.1460 0.034 Uiso 1 1 calc R . .
H2E H 0.0446 -0.4859 0.0000 0.034 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sb1 0.0148(4) 0.0125(4) 0.0154(4) -0.0012(4) 0.0070(3) -0.0021(4)
Ag1 0.0243(6) 0.0247(5) 0.0366(6) 0.0013(5) 0.0078(5) -0.0030(5)
Ag2 0.0391(6) 0.0255(5) 0.0322(6) 0.0006(5) 0.0241(5) 0.0033(5)
S1 0.0198(15) 0.0199(15) 0.0180(16) -0.0025(12) 0.0117(13) -0.0021(12)
S2 0.0172(15) 0.0179(13) 0.0255(16) -0.0019(13) 0.0104(13) -0.0018(13)
S3 0.0142(14) 0.0167(15) 0.0161(15) 0.0015(11) 0.0065(12) 0.0015(11)
N1 0.042(7) 0.028(6) 0.039(6) -0.009(5) 0.026(6) -0.014(5)
N2 0.035(6) 0.015(5) 0.024(6) -0.005(4) 0.016(5) -0.009(4)
C1 0.035(7) 0.018(7) 0.020(7) 0.002(5) 0.013(6) -0.001(5)
C2 0.037(8) 0.020(6) 0.019(7) 0.010(5) 0.008(6) 0.003(5)

_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
Sb1 S2 2.412(3) . ?
Sb1 S1 2.420(3) . ?
Sb1 S3 2.428(3) . ?
Sb1 Ag2 2.8249(11) 2 ?
Ag1 S2 2.457(3) 2_554 ?
Ag1 S1 2.536(3) . ?
Ag1 S3 2.581(3) 1_454 ?
Ag1 Ag2 2.9069(14) 1_455 ?
Ag2 S3 2.585(3) 1_554 ?
Ag2 S1 2.611(3) . ?
Ag2 S2 2.660(3) 1_655 ?
Ag2 Sb1 2.8249(11) 2_554 ?
Ag2 Ag1 2.9069(14) 1_655 ?
S2 Ag1 2.457(3) 2 ?
S2 Ag2 2.660(3) 1_455 ?
S3 Ag1 2.581(3) 1_656 ?
S3 Ag2 2.585(3) 1_556 ?
N1 C1 1.388(13) . ?
N1 H1A 0.8624 . ?
N1 H1B 0.8900 . ?
N2 C2 1.397(13) . ?
N2 H2A 0.8900 . ?
N2 H2B 0.8900 . ?
N2 H2C 0.8900 . ?
C1 C2 1.533(15) . ?
C1 H1C 0.9700 . ?
C1 H1D 0.9700 . ?
C2 H2D 0.9700 . ?
C2 H2E 0.9700 . ?

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
S2 Sb1 S1 101.11(10) . . ?
S2 Sb1 S3 100.00(10) . . ?
S1 Sb1 S3 99.51(10) . . ?
S2 Sb1 Ag2 107.46(7) . 2 ?
S1 Sb1 Ag2 130.78(7) . 2 ?
S3 Sb1 Ag2 113.53(7) . 2 ?
S2 Ag1 S1 129.03(10) 2_554 . ?
S2 Ag1 S3 124.25(10) 2_554 1_454 ?
S1 Ag1 S3 106.66(10) . 1_454 ?
S2 Ag1 Ag2 96.70(8) 2_554 1_455 ?
S1 Ag1 Ag2 110.82(8) . 1_455 ?
S3 Ag1 Ag2 55.83(7) 1_454 1_455 ?
S3 Ag2 S1 109.09(9) 1_554 . ?
S3 Ag2 S2 120.16(9) 1_554 1_655 ?
S1 Ag2 S2 92.90(10) . 1_655 ?
S3 Ag2 Sb1 118.53(7) 1_554 2_554 ?
S1 Ag2 Sb1 109.42(7) . 2_554 ?
S2 Ag2 Sb1 103.60(7) 1_655 2_554 ?
S3 Ag2 Ag1 55.69(7) 1_554 1_655 ?
S1 Ag2 Ag1 148.87(7) . 1_655 ?
S2 Ag2 Ag1 76.73(8) 1_655 1_655 ?
Sb1 Ag2 Ag1 101.58(4) 2_554 1_655 ?
Sb1 S1 Ag1 85.25(10) . . ?
Sb1 S1 Ag2 97.36(10) . . ?
Ag1 S1 Ag2 82.93(9) . . ?
Sb1 S2 Ag1 93.16(10) . 2 ?
Sb1 S2 Ag2 121.61(12) . 1_455 ?
Ag1 S2 Ag2 97.68(10) 2 1_455 ?
Sb1 S3 Ag1 94.41(10) . 1_656 ?
Sb1 S3 Ag2 102.59(10) . 1_556 ?
Ag1 S3 Ag2 68.48(8) 1_656 1_556 ?
C1 N1 H1A 108.8 . . ?
C1 N1 H1B 108.9 . . ?
H1A N1 H1B 109.2 . . ?
C2 N2 H2A 109.5 . . ?
C2 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
C2 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
N1 C1 C2 107.8(9) . . ?
N1 C1 H1C 110.1 . . ?
C2 C1 H1C 110.1 . . ?
N1 C1 H1D 110.1 . . ?
C2 C1 H1D 110.1 . . ?
H1C C1 H1D 108.5 . . ?
N2 C2 C1 107.4(9) . . ?
N2 C2 H2D 110.2 . . ?
C1 C2 H2D 110.2 . . ?
N2 C2 H2E 110.2 . . ?
C1 C2 H2E 110.2 . . ?
H2D C2 H2E 108.5 . . ?

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
S2 Sb1 S1 Ag1 53.21(10) . . . . ?
S3 Sb1 S1 Ag1 155.47(9) . . . . ?
Ag2 Sb1 S1 Ag1 -71.76(11) 2 . . . ?
S2 Sb1 S1 Ag2 135.43(10) . . . . ?
S3 Sb1 S1 Ag2 -122.31(10) . . . . ?
Ag2 Sb1 S1 Ag2 10.47(14) 2 . . . ?
S2 Ag1 S1 Sb1 50.07(15) 2_554 . . . ?
S3 Ag1 S1 Sb1 -127.00(9) 1_454 . . . ?
Ag2 Ag1 S1 Sb1 -67.90(8) 1_455 . . . ?
S2 Ag1 S1 Ag2 -47.97(15) 2_554 . . . ?
S3 Ag1 S1 Ag2 134.96(8) 1_454 . . . ?
Ag2 Ag1 S1 Ag2 -165.94(6) 1_455 . . . ?
S3 Ag2 S1 Sb1 176.31(9) 1_554 . . . ?
S2 Ag2 S1 Sb1 52.95(10) 1_655 . . . ?
Sb1 Ag2 S1 Sb1 -52.56(10) 2_554 . . . ?
Ag1 Ag2 S1 Sb1 121.81(12) 1_655 . . . ?
S3 Ag2 S1 Ag1 -99.44(9) 1_554 . . . ?
S2 Ag2 S1 Ag1 137.20(8) 1_655 . . . ?
Sb1 Ag2 S1 Ag1 31.69(8) 2_554 . . . ?
Ag1 Ag2 S1 Ag1 -153.94(11) 1_655 . . . ?
S1 Sb1 S2 Ag1 -135.22(10) . . . 2 ?
S3 Sb1 S2 Ag1 122.92(10) . . . 2 ?
Ag2 Sb1 S2 Ag1 4.20(11) 2 . . 2 ?
S1 Sb1 S2 Ag2 -34.19(14) . . . 1_455 ?
S3 Sb1 S2 Ag2 -136.06(12) . . . 1_455 ?
Ag2 Sb1 S2 Ag2 105.22(11) 2 . . 1_455 ?
S2 Sb1 S3 Ag1 -133.65(9) . . . 1_656 ?
S1 Sb1 S3 Ag1 123.18(10) . . . 1_656 ?
Ag2 Sb1 S3 Ag1 -19.50(10) 2 . . 1_656 ?
S2 Sb1 S3 Ag2 -64.73(11) . . . 1_556 ?
S1 Sb1 S3 Ag2 -167.90(10) . . . 1_556 ?
Ag2 Sb1 S3 Ag2 49.42(10) 2 . . 1_556 ?
N1 C1 C2 N2 177.2(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.953
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.230
