# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_12011214_0m
_database_code_depnum_ccdc_archive 'CCDC 2193726'
loop_
_audit_author_name
_audit_author_address
'Wang shuyu'
;Yunnan university
China
;
_audit_update_record             
;
2022-07-30 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Ag-1138
_chemical_formula_moiety         '0.154(C32 H26 Ag2 N6 O6 S2)'
_chemical_formula_sum            'C4.92 H4 Ag0.31 N0.92 O0.92 S0.31'
_chemical_formula_weight         133.91
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8124(4)
_cell_length_b                   12.0917(4)
_cell_length_c                   13.9441(4)
_cell_angle_alpha                69.4340(10)
_cell_angle_beta                 74.2890(10)
_cell_angle_gamma                70.6380(10)
_cell_volume                     1585.57(9)
_cell_formula_units_Z            13
_cell_measurement_reflns_used    4249
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6932
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0807 before and 0.0596 after correction.
The Ratio of minimum to maximum transmission is 0.9300.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             868
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_unetI/netI     0.0936
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18295
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.430
_diffrn_reflns_theta_min         2.028
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4207
_reflns_number_total             6466
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.808
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       0.00082(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6466
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0139P)²+3.0190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0921
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N3(H3a,H3b), N4(H4a,H4b)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12),
 C15(H15), C16(H16), C18(H18), C19(H19), C21(H21), C23(H23), C24(H24), C25(H25),
  C26(H26), C29(H29), C30(H30), C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.26796(4) 0.91389(4) 0.37058(3) 0.02883(14) Uani 1 1 d . . . . .
Ag2 Ag 0.89624(5) 0.18323(4) 1.07912(4) 0.03685(16) Uani 1 1 d . . . . .
S1 S 0.52039(13) 0.84368(11) 0.71730(10) 0.0195(3) Uani 1 1 d . . . . .
S2 S 0.42003(14) 0.41390(12) 0.81522(10) 0.0222(3) Uani 1 1 d . . . . .
O1 O 0.4262(3) 0.9591(3) 0.6760(3) 0.0207(8) Uani 1 1 d . . . . .
O2 O 0.6527(4) 0.8589(3) 0.7023(3) 0.0306(10) Uani 1 1 d . . . . .
O3 O 0.4707(4) 0.7809(3) 0.8232(3) 0.0325(10) Uani 1 1 d . . . . .
O4 O 0.3338(4) 0.5253(3) 0.7606(3) 0.0377(11) Uani 1 1 d . . . . .
O5 O 0.3531(4) 0.3549(4) 0.9154(3) 0.0452(12) Uani 1 1 d . . . . .
O6 O 0.4879(4) 0.3309(3) 0.7521(3) 0.0344(10) Uani 1 1 d . . . . .
N1 N 0.0670(4) 1.0466(4) 0.3492(3) 0.0200(10) Uani 1 1 d . . . . .
N2 N 0.1016(5) 0.8038(4) 0.4427(4) 0.0323(12) Uani 1 1 d . . . . .
N3 N 0.4829(4) 0.8279(4) 0.3661(3) 0.0177(10) Uani 1 1 d . . . . .
H3A H 0.510741 0.779088 0.323247 0.021 Uiso 1 1 calc R U . . .
H3B H 0.526798 0.887602 0.338144 0.021 Uiso 1 1 calc R U . . .
N4 N 0.7291(4) 0.3452(4) 1.0644(3) 0.0234(11) Uani 1 1 d . . . . .
H4A H 0.656804 0.322494 1.108627 0.028 Uiso 1 1 calc R U . . .
H4B H 0.747139 0.398575 1.087805 0.028 Uiso 1 1 calc R U . . .
N5 N 1.1116(5) 0.0838(4) 1.0884(3) 0.0258(11) Uani 1 1 d . . . . .
N6 N 0.9124(5) -0.0265(4) 1.1384(3) 0.0289(12) Uani 1 1 d . . . . .
C1 C 0.0520(6) 1.1668(5) 0.3057(4) 0.0277(14) Uani 1 1 d . . . . .
H1 H 0.128497 1.197224 0.286408 0.033 Uiso 1 1 calc R U . . .
C2 C -0.0693(6) 1.2494(5) 0.2874(5) 0.0355(15) Uani 1 1 d . . . . .
H2 H -0.075609 1.333983 0.254320 0.043 Uiso 1 1 calc R U . . .
C3 C -0.1815(6) 1.2054(5) 0.3187(5) 0.0345(15) Uani 1 1 d . . . . .
H3 H -0.266803 1.259672 0.309416 0.041 Uiso 1 1 calc R U . . .
C4 C -0.1669(5) 1.0813(5) 0.3635(4) 0.0288(14) Uani 1 1 d . . . . .
H4 H -0.242278 1.049122 0.384227 0.035 Uiso 1 1 calc R U . . .
C5 C -0.0408(6) 1.0031(5) 0.3783(4) 0.0245(13) Uani 1 1 d . . . . .
C6 C -0.0221(6) 0.8689(5) 0.4288(4) 0.0256(13) Uani 1 1 d . . . . .
C7 C -0.1268(6) 0.8155(5) 0.4599(5) 0.0388(16) Uani 1 1 d . . . . .
H7 H -0.213586 0.863349 0.447671 0.047 Uiso 1 1 calc R U . . .
C8 C -0.1031(7) 0.6919(6) 0.5089(6) 0.0504(19) Uani 1 1 d . . . . .
H8 H -0.173542 0.653161 0.530830 0.060 Uiso 1 1 calc R U . . .
C9 C 0.0228(7) 0.6252(6) 0.5257(5) 0.0473(18) Uani 1 1 d . . . . .
H9 H 0.040773 0.539917 0.560486 0.057 Uiso 1 1 calc R U . . .
C10 C 0.1226(7) 0.6836(5) 0.4913(5) 0.0439(18) Uani 1 1 d . . . . .
H10 H 0.210159 0.636919 0.502483 0.053 Uiso 1 1 calc R U . . .
C11 C 0.5193(5) 0.7558(4) 0.4659(4) 0.0166(11) Uani 1 1 d . . . . .
C12 C 0.5095(5) 0.8151(4) 0.5373(4) 0.0180(12) Uani 1 1 d . . . . .
H12 H 0.483734 0.901990 0.517900 0.022 Uiso 1 1 calc R U . . .
C13 C 0.5366(5) 0.7496(4) 0.6374(4) 0.0142(11) Uani 1 1 d . . . . .
C14 C 0.5754(5) 0.6214(4) 0.6659(4) 0.0156(11) Uani 1 1 d . . . . .
C15 C 0.5856(5) 0.5643(5) 0.5923(4) 0.0193(12) Uani 1 1 d . . . . .
H15 H 0.612264 0.477401 0.610762 0.023 Uiso 1 1 calc R U . . .
C16 C 0.5585(5) 0.6291(4) 0.4930(4) 0.0209(12) Uani 1 1 d . . . . .
H16 H 0.566714 0.587246 0.444369 0.025 Uiso 1 1 calc R U . . .
C17 C 0.6122(5) 0.5450(4) 0.7703(4) 0.0166(11) Uani 1 1 d . . . . .
C18 C 0.7159(5) 0.5633(4) 0.7996(4) 0.0223(12) Uani 1 1 d . . . . .
H18 H 0.760919 0.622289 0.752844 0.027 Uiso 1 1 calc R U . . .
C19 C 0.7550(5) 0.4977(5) 0.8953(4) 0.0251(13) Uani 1 1 d . . . . .
H19 H 0.825738 0.512130 0.913329 0.030 Uiso 1 1 calc R U . . .
C20 C 0.6908(5) 0.4112(4) 0.9645(4) 0.0198(12) Uani 1 1 d . . . . .
C21 C 0.5887(5) 0.3894(4) 0.9368(4) 0.0185(12) Uani 1 1 d . . . . .
H21 H 0.545244 0.329210 0.983591 0.022 Uiso 1 1 calc R U . . .
C22 C 0.5498(5) 0.4555(4) 0.8406(4) 0.0193(12) Uani 1 1 d . . . . .
C23 C 1.2055(6) 0.1417(5) 1.0676(4) 0.0322(15) Uani 1 1 d . . . . .
H23 H 1.181934 0.228407 1.041537 0.039 Uiso 1 1 calc R U . . .
C24 C 1.3352(6) 0.0823(6) 1.0820(4) 0.0354(15) Uani 1 1 d . . . . .
H24 H 1.398975 0.127026 1.067160 0.042 Uiso 1 1 calc R U . . .
C25 C 1.3695(6) -0.0439(6) 1.1185(4) 0.0350(15) Uani 1 1 d . . . . .
H25 H 1.458124 -0.088240 1.128345 0.042 Uiso 1 1 calc R U . . .
C26 C 1.2724(6) -0.1045(5) 1.1404(4) 0.0297(14) Uani 1 1 d . . . . .
H26 H 1.294339 -0.191330 1.166056 0.036 Uiso 1 1 calc R U . . .
C27 C 1.1435(5) -0.0399(5) 1.1254(4) 0.0233(13) Uani 1 1 d . . . . .
C28 C 1.0358(6) -0.1009(5) 1.1488(4) 0.0254(13) Uani 1 1 d . . . . .
C29 C 1.0587(6) -0.2275(5) 1.1795(5) 0.0351(15) Uani 1 1 d . . . . .
H29 H 1.145955 -0.278908 1.186055 0.042 Uiso 1 1 calc R U . . .
C30 C 0.9541(7) -0.2770(6) 1.2001(5) 0.0503(19) Uani 1 1 d . . . . .
H30 H 0.968926 -0.363400 1.220261 0.060 Uiso 1 1 calc R U . . .
C31 C 0.8295(6) -0.2033(6) 1.1920(5) 0.0419(17) Uani 1 1 d . . . . .
H31 H 0.755931 -0.236899 1.207742 0.050 Uiso 1 1 calc R U . . .
C32 C 0.8121(6) -0.0774(6) 1.1600(5) 0.0365(16) Uani 1 1 d . . . . .
H32 H 0.725209 -0.025319 1.153315 0.044 Uiso 1 1 calc R 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 N1 2.256(4) . ?
Ag1 N2 2.384(5) . ?
Ag1 N3 2.203(4) . ?
Ag2 N4 2.171(4) . ?
Ag2 N5 2.255(4) . ?
Ag2 N6 2.336(5) . ?
S1 O1 1.458(3) . ?
S1 O2 1.452(4) . ?
S1 O3 1.449(4) . ?
S1 C13 1.794(5) . ?
S2 O4 1.447(4) . ?
S2 O5 1.442(4) . ?
S2 O6 1.450(4) . ?
S2 C22 1.791(5) . ?
N1 C1 1.336(6) . ?
N1 C5 1.343(7) . ?
N2 C6 1.335(7) . ?
N2 C10 1.340(7) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 C11 1.438(6) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 C20 1.436(6) . ?
N5 C23 1.332(7) . ?
N5 C27 1.354(6) . ?
N6 C28 1.352(7) . ?
N6 C32 1.333(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.380(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.399(7) . ?
C5 C6 1.492(7) . ?
C6 C7 1.381(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.368(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(7) . ?
C11 C16 1.385(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(6) . ?
C13 C14 1.401(6) . ?
C14 C15 1.388(6) . ?
C14 C17 1.503(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(7) . ?
C17 C22 1.402(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(7) . ?
C20 C21 1.391(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.394(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.380(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(7) . ?
C27 C28 1.484(8) . ?
C28 C29 1.390(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.369(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.356(9) . ?
C31 H31 0.9500 . ?
C31 C32 1.390(8) . ?
C32 H32 0.9500 . ?

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
N1 Ag1 N2 71.22(16) . . ?
N3 Ag1 N1 164.67(15) . . ?
N3 Ag1 N2 124.02(15) . . ?
N4 Ag2 N5 153.35(17) . . ?
N4 Ag2 N6 133.32(17) . . ?
N5 Ag2 N6 72.33(17) . . ?
O1 S1 C13 105.4(2) . . ?
O2 S1 O1 111.8(2) . . ?
O2 S1 C13 105.2(2) . . ?
O3 S1 O1 112.3(2) . . ?
O3 S1 O2 114.1(2) . . ?
O3 S1 C13 107.4(2) . . ?
O4 S2 O6 112.6(2) . . ?
O4 S2 C22 107.4(2) . . ?
O5 S2 O4 112.7(3) . . ?
O5 S2 O6 112.5(3) . . ?
O5 S2 C22 106.0(2) . . ?
O6 S2 C22 105.1(2) . . ?
C1 N1 Ag1 122.3(4) . . ?
C1 N1 C5 118.8(5) . . ?
C5 N1 Ag1 118.9(3) . . ?
C6 N2 Ag1 115.7(4) . . ?
C6 N2 C10 118.2(5) . . ?
C10 N2 Ag1 126.0(4) . . ?
Ag1 N3 H3A 108.7 . . ?
Ag1 N3 H3B 108.7 . . ?
H3A N3 H3B 107.6 . . ?
C11 N3 Ag1 114.4(3) . . ?
C11 N3 H3A 108.7 . . ?
C11 N3 H3B 108.7 . . ?
Ag2 N4 H4A 107.4 . . ?
Ag2 N4 H4B 107.4 . . ?
H4A N4 H4B 107.0 . . ?
C20 N4 Ag2 119.6(3) . . ?
C20 N4 H4A 107.4 . . ?
C20 N4 H4B 107.4 . . ?
C23 N5 Ag2 122.8(4) . . ?
C23 N5 C27 119.1(5) . . ?
C27 N5 Ag2 117.9(4) . . ?
C28 N6 Ag2 115.8(4) . . ?
C32 N6 Ag2 125.8(4) . . ?
C32 N6 C28 118.4(5) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.3(6) . . ?
C2 C1 H1 118.3 . . ?
C1 C2 H2 120.9 . . ?
C1 C2 C3 118.2(6) . . ?
C3 C2 H2 120.9 . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.8(5) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 121.0(5) . . ?
N1 C5 C6 117.8(5) . . ?
C4 C5 C6 121.1(5) . . ?
N2 C6 C5 116.0(5) . . ?
N2 C6 C7 122.1(5) . . ?
C7 C6 C5 122.0(5) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 C6 118.8(6) . . ?
C8 C7 H7 120.6 . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.4(6) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.8(6) . . ?
C10 C9 H9 120.6 . . ?
N2 C10 C9 122.7(6) . . ?
N2 C10 H10 118.7 . . ?
C9 C10 H10 118.7 . . ?
C12 C11 N3 118.7(4) . . ?
C12 C11 C16 119.8(4) . . ?
C16 C11 N3 121.5(4) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(4) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 S1 114.3(3) . . ?
C12 C13 C14 119.5(4) . . ?
C14 C13 S1 126.2(4) . . ?
C13 C14 C17 122.5(4) . . ?
C15 C14 C13 118.0(4) . . ?
C15 C14 C17 119.4(4) . . ?
C14 C15 H15 118.7 . . ?
C16 C15 C14 122.6(5) . . ?
C16 C15 H15 118.7 . . ?
C11 C16 C15 118.9(5) . . ?
C11 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C18 C17 C14 118.1(5) . . ?
C18 C17 C22 117.5(5) . . ?
C22 C17 C14 124.4(5) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 C17 121.8(5) . . ?
C19 C18 H18 119.1 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(5) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 N4 120.1(5) . . ?
C19 C20 C21 119.6(5) . . ?
C21 C20 N4 120.3(5) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 S2 124.2(4) . . ?
C21 C22 S2 114.8(4) . . ?
C21 C22 C17 121.0(5) . . ?
N5 C23 H23 118.3 . . ?
N5 C23 C24 123.5(5) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.9 . . ?
C23 C24 C25 118.1(6) . . ?
C25 C24 H24 120.9 . . ?
C24 C25 H25 120.7 . . ?
C24 C25 C26 118.7(5) . . ?
C26 C25 H25 120.7 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.6(5) . . ?
C27 C26 H26 119.7 . . ?
N5 C27 C26 120.1(5) . . ?
N5 C27 C28 117.4(5) . . ?
C26 C27 C28 122.5(5) . . ?
N6 C28 C27 116.4(5) . . ?
N6 C28 C29 121.1(5) . . ?
C29 C28 C27 122.6(5) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119.2(6) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(6) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.9 . . ?
C30 C31 C32 118.3(6) . . ?
C32 C31 H31 120.9 . . ?
N6 C32 C31 122.8(6) . . ?
N6 C32 H32 118.6 . . ?
C31 C32 H32 118.6 . . ?

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
Ag1 N1 C1 C2 177.0(4) . . . . ?
Ag1 N1 C5 C4 -177.9(4) . . . . ?
Ag1 N1 C5 C6 3.3(6) . . . . ?
Ag1 N2 C6 C5 -5.0(6) . . . . ?
Ag1 N2 C6 C7 175.4(4) . . . . ?
Ag1 N2 C10 C9 -176.2(5) . . . . ?
Ag1 N3 C11 C12 -70.3(5) . . . . ?
Ag1 N3 C11 C16 107.1(5) . . . . ?
Ag2 N4 C20 C19 -84.1(5) . . . . ?
Ag2 N4 C20 C21 96.4(5) . . . . ?
Ag2 N5 C23 C24 173.9(4) . . . . ?
Ag2 N5 C27 C26 -174.8(4) . . . . ?
Ag2 N5 C27 C28 5.0(6) . . . . ?
Ag2 N6 C28 C27 2.4(6) . . . . ?
Ag2 N6 C28 C29 -177.4(4) . . . . ?
Ag2 N6 C32 C31 177.9(4) . . . . ?
S1 C13 C14 C15 -178.4(4) . . . . ?
S1 C13 C14 C17 -1.4(7) . . . . ?
O1 S1 C13 C12 25.7(4) . . . . ?
O1 S1 C13 C14 -155.6(4) . . . . ?
O2 S1 C13 C12 -92.5(4) . . . . ?
O2 S1 C13 C14 86.1(5) . . . . ?
O3 S1 C13 C12 145.6(4) . . . . ?
O3 S1 C13 C14 -35.7(5) . . . . ?
O4 S2 C22 C17 -39.4(5) . . . . ?
O4 S2 C22 C21 142.1(4) . . . . ?
O5 S2 C22 C17 -160.1(4) . . . . ?
O5 S2 C22 C21 21.4(4) . . . . ?
O6 S2 C22 C17 80.7(4) . . . . ?
O6 S2 C22 C21 -97.9(4) . . . . ?
N1 C1 C2 C3 2.0(9) . . . . ?
N1 C5 C6 N2 1.4(7) . . . . ?
N1 C5 C6 C7 -179.0(5) . . . . ?
N2 C6 C7 C8 1.6(9) . . . . ?
N3 C11 C12 C13 176.5(4) . . . . ?
N3 C11 C16 C15 -176.6(5) . . . . ?
N4 C20 C21 C22 178.6(4) . . . . ?
N5 C23 C24 C25 0.9(9) . . . . ?
N5 C27 C28 N6 -4.9(7) . . . . ?
N5 C27 C28 C29 175.0(5) . . . . ?
N6 C28 C29 C30 -0.4(9) . . . . ?
C1 N1 C5 C4 0.2(7) . . . . ?
C1 N1 C5 C6 -178.6(5) . . . . ?
C1 C2 C3 C4 -2.0(8) . . . . ?
C2 C3 C4 C5 1.2(8) . . . . ?
C3 C4 C5 N1 -0.2(8) . . . . ?
C3 C4 C5 C6 178.5(5) . . . . ?
C4 C5 C6 N2 -177.4(5) . . . . ?
C4 C5 C6 C7 2.2(8) . . . . ?
C5 N1 C1 C2 -1.1(8) . . . . ?
C5 C6 C7 C8 -178.0(5) . . . . ?
C6 N2 C10 C9 1.0(9) . . . . ?
C6 C7 C8 C9 0.1(10) . . . . ?
C7 C8 C9 C10 -1.1(10) . . . . ?
C8 C9 C10 N2 0.6(10) . . . . ?
C10 N2 C6 C5 177.5(5) . . . . ?
C10 N2 C6 C7 -2.1(8) . . . . ?
C11 C12 C13 S1 179.1(4) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C12 C11 C16 C15 0.8(8) . . . . ?
C12 C13 C14 C15 0.2(7) . . . . ?
C12 C13 C14 C17 177.1(5) . . . . ?
C13 C14 C15 C16 -0.3(8) . . . . ?
C13 C14 C17 C18 -57.7(7) . . . . ?
C13 C14 C17 C22 122.6(5) . . . . ?
C14 C15 C16 C11 -0.2(8) . . . . ?
C14 C17 C18 C19 179.1(5) . . . . ?
C14 C17 C22 S2 2.4(7) . . . . ?
C14 C17 C22 C21 -179.1(4) . . . . ?
C15 C14 C17 C18 119.2(5) . . . . ?
C15 C14 C17 C22 -60.5(7) . . . . ?
C16 C11 C12 C13 -0.9(8) . . . . ?
C17 C14 C15 C16 -177.3(5) . . . . ?
C17 C18 C19 C20 0.1(8) . . . . ?
C18 C17 C22 S2 -177.3(4) . . . . ?
C18 C17 C22 C21 1.2(7) . . . . ?
C18 C19 C20 N4 -178.6(4) . . . . ?
C18 C19 C20 C21 1.0(7) . . . . ?
C19 C20 C21 C22 -0.9(7) . . . . ?
C20 C21 C22 S2 178.4(4) . . . . ?
C20 C21 C22 C17 -0.2(7) . . . . ?
C22 C17 C18 C19 -1.2(7) . . . . ?
C23 N5 C27 C26 -0.5(7) . . . . ?
C23 N5 C27 C28 179.3(5) . . . . ?
C23 C24 C25 C26 -1.0(8) . . . . ?
C24 C25 C26 C27 0.4(8) . . . . ?
C25 C26 C27 N5 0.4(8) . . . . ?
C25 C26 C27 C28 -179.4(5) . . . . ?
C26 C27 C28 N6 174.9(5) . . . . ?
C26 C27 C28 C29 -5.2(8) . . . . ?
C27 N5 C23 C24 -0.1(8) . . . . ?
C27 C28 C29 C30 179.7(6) . . . . ?
C28 N6 C32 C31 -0.4(8) . . . . ?
C28 C29 C30 C31 -0.9(10) . . . . ?
C29 C30 C31 C32 1.5(10) . . . . ?
C30 C31 C32 N6 -0.8(9) . . . . ?
C32 N6 C28 C27 -179.1(5) . . . . ?
C32 N6 C28 C29 1.1(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 51.0 16.0 '2 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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 2193727'
loop_
_audit_author_name
_audit_author_address
'Wang shuyu'
;Yunnan university
China
;
_audit_update_record             
;
2022-07-30 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_audit_creation_date             2021-10-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H26 Ag2 N6 O6 S2'
_chemical_formula_sum            'C36 H26 Ag2 N6 O6 S2'
_chemical_formula_weight         918.49
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   16.5891(4)
_cell_length_b                   11.0870(3)
_cell_length_c                   17.9715(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.5810(10)
_cell_angle_gamma                90
_cell_volume                     3259.27(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7296
_cell_measurement_temperature    170.0
_cell_measurement_theta_max      26.21
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.390
_exptl_absorpt_correction_T_max  0.2602
_exptl_absorpt_correction_T_min  0.2136
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24568
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.381
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4961
_reflns_number_total             6641
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       0.00054(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6641
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0128P)²+5.5215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0776
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N6(H6a,H6b), N5(H5a,H5b)
2.b Aromatic/amide H refined with riding coordinates:
 C35(H35), C26(H26), C30(H30), C29(H29), C33(H33), C32(H32), C24(H24),
 C13(H13), C15(H15), C18(H18), C1(H1), C23(H23), C19(H19), C22(H22), C14(H14),
 C2(H2), C11(H11), C10(H10), C12(H12), C3(H3), C7(H7), C6(H6)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag2 Ag 0.31576(2) 0.61579(3) 0.44863(2) 0.02477(10) Uani 1 1 d . . . . .
Ag1 Ag 0.72385(2) 0.73777(3) 0.05240(2) 0.03279(11) Uani 1 1 d . . . . .
S1 S 0.36241(6) 0.95009(9) 0.05992(5) 0.0194(2) Uani 1 1 d . . . . .
S2 S 0.26522(6) 0.51869(9) 0.08721(5) 0.0211(2) Uani 1 1 d . . . . .
O3 O 0.28238(16) 0.9137(2) 0.07436(15) 0.0257(6) Uani 1 1 d . . . . .
O1 O 0.40474(16) 1.0303(2) 0.11877(15) 0.0244(6) Uani 1 1 d . . . . .
O2 O 0.36113(16) 1.0001(2) -0.01496(15) 0.0249(6) Uani 1 1 d . . . . .
O6 O 0.18025(16) 0.4877(2) 0.08701(14) 0.0254(6) Uani 1 1 d . . . . .
O5 O 0.28068(19) 0.5700(3) 0.01707(14) 0.0323(7) Uani 1 1 d . . . . .
O4 O 0.32066(17) 0.4187(2) 0.11386(15) 0.0268(7) Uani 1 1 d . . . . .
N6 N 0.23110(19) 0.6850(3) 0.34815(16) 0.0175(7) Uani 1 1 d . . . . .
H6A H 0.187622 0.634152 0.337719 0.021 Uiso 1 1 calc R U . . .
H6B H 0.211836 0.758448 0.359453 0.021 Uiso 1 1 calc R U . . .
N5 N 0.60590(18) 0.7334(3) -0.02188(16) 0.0185(7) Uani 1 1 d . . . . .
H5A H 0.600310 0.801396 -0.050677 0.022 Uiso 1 1 calc R U . . .
H5B H 0.604495 0.669003 -0.053430 0.022 Uiso 1 1 calc R U . . .
N4 N 0.3645(2) 0.5383(3) 0.56530(17) 0.0227(8) Uani 1 1 d . . . . .
N3 N 0.4554(2) 0.6741(3) 0.48133(18) 0.0233(8) Uani 1 1 d . . . . .
N1 N 0.8435(2) 0.6796(3) 0.11825(18) 0.0243(8) Uani 1 1 d . . . . .
N2 N 0.7254(2) 0.8061(3) 0.17748(19) 0.0309(9) Uani 1 1 d . . . . .
C35 C 0.2488(2) 0.6202(3) 0.22112(19) 0.0165(8) Uani 1 1 d . . . . .
H35 H 0.205978 0.563044 0.220161 0.020 Uiso 1 1 calc R U . . .
C36 C 0.2917(2) 0.6277(3) 0.16043(19) 0.0158(8) Uani 1 1 d . . . . .
C25 C 0.5386(2) 0.7254(3) 0.01867(19) 0.0172(8) Uani 1 1 d . . . . .
C26 C 0.4867(2) 0.8222(3) 0.0200(2) 0.0180(8) Uani 1 1 d . . . . .
H26 H 0.493311 0.892406 -0.008678 0.022 Uiso 1 1 calc R U . . .
C31 C 0.3551(2) 0.7102(3) 0.1612(2) 0.0183(8) Uani 1 1 d . . . . .
C34 C 0.2688(2) 0.6963(3) 0.2824(2) 0.0170(8) Uani 1 1 d . . . . .
C28 C 0.4126(2) 0.7149(3) 0.10502(19) 0.0184(8) Uani 1 1 d . . . . .
C27 C 0.4245(2) 0.8172(3) 0.06358(19) 0.0161(8) Uani 1 1 d . . . . .
C30 C 0.5272(2) 0.6210(4) 0.0582(2) 0.0197(8) Uani 1 1 d . . . . .
H30 H 0.561960 0.553305 0.056606 0.024 Uiso 1 1 calc R U . . .
C29 C 0.4642(2) 0.6172(4) 0.1002(2) 0.0195(8) Uani 1 1 d . . . . .
H29 H 0.455891 0.545184 0.126568 0.023 Uiso 1 1 calc R U . . .
C21 C 0.4452(2) 0.5581(4) 0.5926(2) 0.0206(9) Uani 1 1 d . . . . .
C33 C 0.3293(2) 0.7836(3) 0.2827(2) 0.0203(9) Uani 1 1 d . . . . .
H33 H 0.341414 0.838387 0.323634 0.024 Uiso 1 1 calc R U . . .
C16 C 0.5762(2) 0.6507(4) 0.5769(2) 0.0234(9) Uani 1 1 d . . . . .
C32 C 0.3716(2) 0.7894(3) 0.2224(2) 0.0201(9) Uani 1 1 d . . . . .
H32 H 0.412938 0.848802 0.222769 0.024 Uiso 1 1 calc R U . . .
C17 C 0.4927(2) 0.6287(4) 0.5484(2) 0.0225(9) Uani 1 1 d . . . . .
C24 C 0.3209(3) 0.4731(4) 0.6060(2) 0.0274(10) Uani 1 1 d . . . . .
H24 H 0.264937 0.458572 0.586449 0.033 Uiso 1 1 calc R U . . .
C20 C 0.4835(3) 0.5104(4) 0.6625(2) 0.0248(9) Uani 1 1 d . . . . .
C13 C 0.4994(3) 0.7426(4) 0.4426(2) 0.0298(10) Uani 1 1 d . . . . .
H13 H 0.473731 0.773847 0.395359 0.036 Uiso 1 1 calc R U . . .
C5 C 0.8591(3) 0.7170(4) 0.1915(2) 0.0266(10) Uani 1 1 d . . . . .
C15 C 0.6195(3) 0.7241(4) 0.5340(2) 0.0299(10) Uani 1 1 d . . . . .
H15 H 0.675602 0.741142 0.551335 0.036 Uiso 1 1 calc R U . . .
C9 C 0.7969(3) 0.7825(4) 0.2229(2) 0.0270(10) Uani 1 1 d . . . . .
C18 C 0.6127(3) 0.5987(4) 0.6477(2) 0.0306(10) Uani 1 1 d . . . . .
H18 H 0.669238 0.611139 0.665926 0.037 Uiso 1 1 calc R U . . .
C1 C 0.9006(3) 0.6193(4) 0.0904(2) 0.0278(10) Uani 1 1 d . . . . .
H1 H 0.888642 0.592475 0.039556 0.033 Uiso 1 1 calc R U . . .
C23 C 0.3536(3) 0.4246(4) 0.6764(2) 0.0308(10) Uani 1 1 d . . . . .
H23 H 0.320133 0.380059 0.704569 0.037 Uiso 1 1 calc R U . . .
C19 C 0.5681(3) 0.5326(4) 0.6886(2) 0.0310(11) Uani 1 1 d . . . . .
H19 H 0.593318 0.500198 0.735661 0.037 Uiso 1 1 calc R U . . .
C22 C 0.4342(3) 0.4423(4) 0.7038(2) 0.0325(11) Uani 1 1 d . . . . .
H22 H 0.457458 0.408705 0.751182 0.039 Uiso 1 1 calc R U . . .
C14 C 0.5812(3) 0.7713(4) 0.4676(3) 0.0324(11) Uani 1 1 d . . . . .
H14 H 0.609786 0.822796 0.438663 0.039 Uiso 1 1 calc R U . . .
C2 C 0.9778(3) 0.5931(4) 0.1320(3) 0.0368(11) Uani 1 1 d . . . . .
H2 H 1.017611 0.550980 0.109825 0.044 Uiso 1 1 calc R U . . .
C4 C 0.9348(3) 0.6922(4) 0.2376(3) 0.0368(12) Uani 1 1 d . . . . .
C11 C 0.6785(3) 0.9058(4) 0.2808(3) 0.0433(13) Uani 1 1 d . . . . .
H11 H 0.635793 0.948092 0.298750 0.052 Uiso 1 1 calc R U . . .
C10 C 0.7504(3) 0.8818(4) 0.3277(3) 0.0440(13) Uani 1 1 d . . . . .
H10 H 0.758422 0.907353 0.378912 0.053 Uiso 1 1 calc R U . . .
C12 C 0.6691(3) 0.8669(5) 0.2061(3) 0.0429(12) Uani 1 1 d . . . . .
H12 H 0.619216 0.885196 0.173745 0.051 Uiso 1 1 calc R U . . .
C8 C 0.8124(3) 0.8190(4) 0.2994(2) 0.0375(12) Uani 1 1 d . . . . .
C3 C 0.9939(3) 0.6302(4) 0.2058(3) 0.0417(12) Uani 1 1 d . . . . .
H3 H 1.045679 0.613594 0.235403 0.050 Uiso 1 1 calc R U . . .
C7 C 0.8896(4) 0.7903(5) 0.3436(3) 0.0531(16) Uani 1 1 d . . . . .
H7 H 0.900260 0.814574 0.394963 0.064 Uiso 1 1 calc R U . . .
C6 C 0.9478(3) 0.7302(5) 0.3151(3) 0.0529(15) Uani 1 1 d . . . . .
H6 H 0.998220 0.712639 0.346636 0.063 Uiso 1 1 calc R 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
Ag2 Ag1 3.0635(5) 4_576 ?
Ag2 N6 2.231(3) . ?
Ag2 N4 2.285(3) . ?
Ag2 N3 2.382(3) . ?
Ag1 N5 2.178(3) . ?
Ag1 N1 2.230(3) . ?
Ag1 N2 2.368(3) . ?
S1 O3 1.452(3) . ?
S1 O1 1.468(3) . ?
S1 O2 1.452(3) . ?
S1 C27 1.793(4) . ?
S2 O6 1.450(3) . ?
S2 O5 1.444(3) . ?
S2 O4 1.469(3) . ?
S2 C36 1.787(4) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N6 C34 1.431(4) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N5 C25 1.433(4) . ?
N4 C21 1.365(5) . ?
N4 C24 1.325(5) . ?
N3 C17 1.357(5) . ?
N3 C13 1.328(5) . ?
N1 C5 1.363(5) . ?
N1 C1 1.323(5) . ?
N2 C9 1.349(5) . ?
N2 C12 1.324(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.401(5) . ?
C35 C34 1.383(5) . ?
C36 C31 1.392(5) . ?
C25 C26 1.379(5) . ?
C25 C30 1.387(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.396(5) . ?
C31 C28 1.501(5) . ?
C31 C32 1.398(5) . ?
C34 C33 1.394(5) . ?
C28 C27 1.389(5) . ?
C28 C29 1.392(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.388(5) . ?
C29 H29 0.9500 . ?
C21 C17 1.439(6) . ?
C21 C20 1.413(5) . ?
C33 H33 0.9500 . ?
C33 C32 1.386(5) . ?
C16 C17 1.416(5) . ?
C16 C15 1.399(6) . ?
C16 C18 1.436(6) . ?
C32 H32 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.399(6) . ?
C20 C19 1.425(6) . ?
C20 C22 1.412(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(6) . ?
C5 C9 1.451(6) . ?
C5 C4 1.413(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.360(6) . ?
C9 C8 1.413(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.344(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.401(6) . ?
C23 H23 0.9500 . ?
C23 C22 1.360(6) . ?
C19 H19 0.9500 . ?
C22 H22 0.9500 . ?
C14 H14 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.371(6) . ?
C4 C3 1.395(7) . ?
C4 C6 1.437(6) . ?
C11 H11 0.9500 . ?
C11 C10 1.368(7) . ?
C11 C12 1.394(6) . ?
C10 H10 0.9500 . ?
C10 C8 1.406(7) . ?
C12 H12 0.9500 . ?
C8 C7 1.427(7) . ?
C3 H3 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.341(7) . ?
C6 H6 0.9500 . ?

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
N6 Ag2 Ag1 90.02(8) . 4_576 ?
N6 Ag2 N4 161.92(11) . . ?
N6 Ag2 N3 124.17(11) . . ?
N4 Ag2 Ag1 77.08(8) . 4_576 ?
N4 Ag2 N3 72.23(11) . . ?
N3 Ag2 Ag1 105.55(8) . 4_576 ?
N5 Ag1 Ag2 97.24(8) . 4_675 ?
N5 Ag1 N1 161.48(12) . . ?
N5 Ag1 N2 117.12(12) . . ?
N1 Ag1 Ag2 89.27(8) . 4_675 ?
N1 Ag1 N2 73.78(12) . . ?
N2 Ag1 Ag2 118.70(9) . 4_675 ?
O3 S1 O1 112.43(16) . . ?
O3 S1 O2 113.51(16) . . ?
O3 S1 C27 107.60(17) . . ?
O1 S1 C27 105.56(16) . . ?
O2 S1 O1 111.58(16) . . ?
O2 S1 C27 105.49(16) . . ?
O6 S2 O4 112.17(17) . . ?
O6 S2 C36 106.40(16) . . ?
O5 S2 O6 113.89(17) . . ?
O5 S2 O4 112.90(17) . . ?
O5 S2 C36 108.59(17) . . ?
O4 S2 C36 101.90(16) . . ?
Ag2 N6 H6A 108.9 . . ?
Ag2 N6 H6B 108.9 . . ?
H6A N6 H6B 107.7 . . ?
C34 N6 Ag2 113.3(2) . . ?
C34 N6 H6A 108.9 . . ?
C34 N6 H6B 108.9 . . ?
Ag1 N5 H5A 109.1 . . ?
Ag1 N5 H5B 109.1 . . ?
H5A N5 H5B 107.8 . . ?
C25 N5 Ag1 112.7(2) . . ?
C25 N5 H5A 109.1 . . ?
C25 N5 H5B 109.1 . . ?
C21 N4 Ag2 116.4(2) . . ?
C24 N4 Ag2 124.7(3) . . ?
C24 N4 C21 118.8(3) . . ?
C17 N3 Ag2 113.5(3) . . ?
C13 N3 Ag2 128.5(3) . . ?
C13 N3 C17 117.9(4) . . ?
C5 N1 Ag1 115.7(3) . . ?
C1 N1 Ag1 125.1(3) . . ?
C1 N1 C5 119.1(4) . . ?
C9 N2 Ag1 112.5(3) . . ?
C12 N2 Ag1 129.4(3) . . ?
C12 N2 C9 118.0(4) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 119.9(3) . . ?
C35 C36 S2 116.0(3) . . ?
C31 C36 S2 123.0(3) . . ?
C31 C36 C35 120.8(3) . . ?
C26 C25 N5 120.1(3) . . ?
C26 C25 C30 120.1(3) . . ?
C30 C25 N5 119.8(3) . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.1(4) . . ?
C27 C26 H26 120.0 . . ?
C36 C31 C28 125.4(3) . . ?
C36 C31 C32 118.0(3) . . ?
C32 C31 C28 116.4(3) . . ?
C35 C34 N6 121.7(3) . . ?
C35 C34 C33 120.2(3) . . ?
C33 C34 N6 118.1(3) . . ?
C27 C28 C31 123.5(3) . . ?
C27 C28 C29 117.3(3) . . ?
C29 C28 C31 118.7(3) . . ?
C26 C27 S1 114.9(3) . . ?
C28 C27 S1 123.9(3) . . ?
C28 C27 C26 121.2(3) . . ?
C25 C30 H30 120.5 . . ?
C25 C30 C29 118.9(3) . . ?
C29 C30 H30 120.5 . . ?
C28 C29 H29 118.8 . . ?
C30 C29 C28 122.4(4) . . ?
C30 C29 H29 118.8 . . ?
N4 C21 C17 118.9(3) . . ?
N4 C21 C20 121.9(4) . . ?
C20 C21 C17 119.2(4) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 C34 119.2(3) . . ?
C32 C33 H33 120.4 . . ?
C17 C16 C18 119.6(4) . . ?
C15 C16 C17 117.5(4) . . ?
C15 C16 C18 122.9(4) . . ?
C31 C32 H32 119.1 . . ?
C33 C32 C31 121.8(4) . . ?
C33 C32 H32 119.1 . . ?
N3 C17 C21 118.7(3) . . ?
N3 C17 C16 122.1(4) . . ?
C16 C17 C21 119.1(3) . . ?
N4 C24 H24 118.5 . . ?
N4 C24 C23 122.9(4) . . ?
C23 C24 H24 118.5 . . ?
C21 C20 C19 120.0(4) . . ?
C22 C20 C21 117.0(4) . . ?
C22 C20 C19 123.0(4) . . ?
N3 C13 H13 118.2 . . ?
N3 C13 C14 123.6(4) . . ?
C14 C13 H13 118.2 . . ?
N1 C5 C9 119.7(4) . . ?
N1 C5 C4 120.9(4) . . ?
C4 C5 C9 119.3(4) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0(4) . . ?
C14 C15 H15 120.0 . . ?
N2 C9 C5 118.1(4) . . ?
N2 C9 C8 122.1(4) . . ?
C8 C9 C5 119.7(4) . . ?
C16 C18 H18 119.6 . . ?
C19 C18 C16 120.9(4) . . ?
C19 C18 H18 119.6 . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.4(4) . . ?
C2 C1 H1 118.3 . . ?
C24 C23 H23 120.6 . . ?
C22 C23 C24 118.9(4) . . ?
C22 C23 H23 120.6 . . ?
C20 C19 H19 119.4 . . ?
C18 C19 C20 121.1(4) . . ?
C18 C19 H19 119.4 . . ?
C20 C22 H22 119.8 . . ?
C23 C22 C20 120.5(4) . . ?
C23 C22 H22 119.8 . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.8(4) . . ?
C15 C14 H14 120.6 . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 117.9(4) . . ?
C3 C2 H2 121.0 . . ?
C5 C4 C6 119.1(5) . . ?
C3 C4 C5 118.2(4) . . ?
C3 C4 C6 122.7(4) . . ?
C10 C11 H11 120.6 . . ?
C10 C11 C12 118.8(5) . . ?
C12 C11 H11 120.6 . . ?
C11 C10 H10 120.4 . . ?
C11 C10 C8 119.2(4) . . ?
C8 C10 H10 120.4 . . ?
N2 C12 C11 123.9(5) . . ?
N2 C12 H12 118.0 . . ?
C11 C12 H12 118.0 . . ?
C9 C8 C7 118.6(5) . . ?
C10 C8 C9 118.0(4) . . ?
C10 C8 C7 123.5(4) . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C8 C7 H7 118.9 . . ?
C6 C7 C8 122.3(4) . . ?
C6 C7 H7 118.9 . . ?
C4 C6 H6 119.5 . . ?
C7 C6 C4 121.0(5) . . ?
C7 C6 H6 119.5 . . ?

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
Ag2 N6 C34 C35 109.6(3) . . . . ?
Ag2 N6 C34 C33 -67.8(4) . . . . ?
Ag2 N4 C21 C17 2.3(5) . . . . ?
Ag2 N4 C21 C20 -177.2(3) . . . . ?
Ag2 N4 C24 C23 178.3(3) . . . . ?
Ag2 N3 C17 C21 -2.9(4) . . . . ?
Ag2 N3 C17 C16 178.5(3) . . . . ?
Ag2 N3 C13 C14 179.8(3) . . . . ?
Ag1 N5 C25 C26 110.4(3) . . . . ?
Ag1 N5 C25 C30 -67.9(4) . . . . ?
Ag1 N1 C5 C9 4.4(5) . . . . ?
Ag1 N1 C5 C4 -176.1(3) . . . . ?
Ag1 N1 C1 C2 174.5(3) . . . . ?
Ag1 N2 C9 C5 -2.4(5) . . . . ?
Ag1 N2 C9 C8 177.8(3) . . . . ?
Ag1 N2 C12 C11 -177.7(4) . . . . ?
S2 C36 C31 C28 -4.1(5) . . . . ?
S2 C36 C31 C32 -178.4(3) . . . . ?
O3 S1 C27 C26 152.5(3) . . . . ?
O3 S1 C27 C28 -26.5(4) . . . . ?
O1 S1 C27 C26 -87.2(3) . . . . ?
O1 S1 C27 C28 93.8(3) . . . . ?
O2 S1 C27 C26 31.1(3) . . . . ?
O2 S1 C27 C28 -148.0(3) . . . . ?
O6 S2 C36 C35 28.7(3) . . . . ?
O6 S2 C36 C31 -155.9(3) . . . . ?
O5 S2 C36 C35 151.7(3) . . . . ?
O5 S2 C36 C31 -32.9(4) . . . . ?
O4 S2 C36 C35 -88.9(3) . . . . ?
O4 S2 C36 C31 86.5(3) . . . . ?
N6 C34 C33 C32 174.5(3) . . . . ?
N5 C25 C26 C27 -175.8(3) . . . . ?
N5 C25 C30 C29 176.8(3) . . . . ?
N4 C21 C17 N3 0.5(6) . . . . ?
N4 C21 C17 C16 179.2(4) . . . . ?
N4 C21 C20 C19 179.6(4) . . . . ?
N4 C21 C20 C22 -0.9(6) . . . . ?
N4 C24 C23 C22 -1.7(7) . . . . ?
N3 C13 C14 C15 2.0(7) . . . . ?
N1 C5 C9 N2 -1.2(6) . . . . ?
N1 C5 C9 C8 178.6(4) . . . . ?
N1 C5 C4 C3 1.2(7) . . . . ?
N1 C5 C4 C6 -178.2(4) . . . . ?
N1 C1 C2 C3 1.2(7) . . . . ?
N2 C9 C8 C10 0.0(7) . . . . ?
N2 C9 C8 C7 180.0(4) . . . . ?
C35 C36 C31 C28 171.1(3) . . . . ?
C35 C36 C31 C32 -3.3(5) . . . . ?
C35 C34 C33 C32 -3.0(6) . . . . ?
C36 C35 C34 N6 -174.8(3) . . . . ?
C36 C35 C34 C33 2.6(5) . . . . ?
C36 C31 C28 C27 124.6(4) . . . . ?
C36 C31 C28 C29 -63.4(5) . . . . ?
C36 C31 C32 C33 2.9(6) . . . . ?
C25 C26 C27 S1 179.7(3) . . . . ?
C25 C26 C27 C28 -1.2(5) . . . . ?
C25 C30 C29 C28 -1.0(6) . . . . ?
C26 C25 C30 C29 -1.4(5) . . . . ?
C31 C28 C27 S1 -10.1(5) . . . . ?
C31 C28 C27 C26 170.9(3) . . . . ?
C31 C28 C29 C30 -170.2(3) . . . . ?
C34 C35 C36 S2 176.1(3) . . . . ?
C34 C35 C36 C31 0.6(6) . . . . ?
C34 C33 C32 C31 0.2(6) . . . . ?
C28 C31 C32 C33 -172.0(4) . . . . ?
C27 C28 C29 C30 2.3(5) . . . . ?
C30 C25 C26 C27 2.5(5) . . . . ?
C29 C28 C27 S1 177.8(3) . . . . ?
C29 C28 C27 C26 -1.2(5) . . . . ?
C21 N4 C24 C23 0.9(6) . . . . ?
C21 C20 C19 C18 0.0(6) . . . . ?
C21 C20 C22 C23 0.1(6) . . . . ?
C16 C15 C14 C13 -1.5(6) . . . . ?
C16 C18 C19 C20 1.0(7) . . . . ?
C32 C31 C28 C27 -60.9(5) . . . . ?
C32 C31 C28 C29 111.1(4) . . . . ?
C17 N3 C13 C14 -0.7(6) . . . . ?
C17 C21 C20 C19 0.2(6) . . . . ?
C17 C21 C20 C22 179.7(4) . . . . ?
C17 C16 C15 C14 -0.1(6) . . . . ?
C17 C16 C18 C19 -2.2(6) . . . . ?
C24 N4 C21 C17 179.8(4) . . . . ?
C24 N4 C21 C20 0.4(6) . . . . ?
C24 C23 C22 C20 1.1(7) . . . . ?
C20 C21 C17 N3 180.0(4) . . . . ?
C20 C21 C17 C16 -1.3(6) . . . . ?
C13 N3 C17 C21 177.6(4) . . . . ?
C13 N3 C17 C16 -1.1(6) . . . . ?
C5 N1 C1 C2 -1.1(6) . . . . ?
C5 C9 C8 C10 -179.7(4) . . . . ?
C5 C9 C8 C7 0.2(7) . . . . ?
C5 C4 C3 C2 -1.0(7) . . . . ?
C5 C4 C6 C7 -1.1(8) . . . . ?
C15 C16 C17 N3 1.5(6) . . . . ?
C15 C16 C17 C21 -177.2(4) . . . . ?
C15 C16 C18 C19 177.3(4) . . . . ?
C9 N2 C12 C11 -1.4(7) . . . . ?
C9 C5 C4 C3 -179.3(4) . . . . ?
C9 C5 C4 C6 1.3(7) . . . . ?
C9 C8 C7 C6 0.1(8) . . . . ?
C18 C16 C17 N3 -179.0(4) . . . . ?
C18 C16 C17 C21 2.3(6) . . . . ?
C18 C16 C15 C14 -179.6(4) . . . . ?
C1 N1 C5 C9 -179.6(4) . . . . ?
C1 N1 C5 C4 -0.1(6) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
C19 C20 C22 C23 179.6(4) . . . . ?
C22 C20 C19 C18 -179.5(4) . . . . ?
C4 C5 C9 N2 179.3(4) . . . . ?
C4 C5 C9 C8 -0.9(6) . . . . ?
C11 C10 C8 C9 -0.4(7) . . . . ?
C11 C10 C8 C7 179.6(5) . . . . ?
C10 C11 C12 N2 1.0(8) . . . . ?
C10 C8 C7 C6 -180.0(5) . . . . ?
C12 N2 C9 C5 -179.4(4) . . . . ?
C12 N2 C9 C8 0.9(7) . . . . ?
C12 C11 C10 C8 0.0(8) . . . . ?
C8 C7 C6 C4 0.3(9) . . . . ?
C3 C4 C6 C7 179.6(5) . . . . ?
C6 C4 C3 C2 178.3(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
