# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 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_2D_MOF
_database_code_depnum_ccdc_archive 'CCDC 2112051'
loop_
_audit_author_name
_audit_author_address
'Chunhua Gong'
;Zhengzhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2022-01-06 downloaded from the CCDC.
;
_audit_creation_date             2020-11-21
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        '2D MOF'
_chemical_formula_moiety         'C11 H21 Ag4 F3 O2 S3'
_chemical_formula_sum            'C11 H21 Ag4 F3 O2 S3'
_chemical_formula_weight         769.94
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
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'
F F 0.0171 0.0103 '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      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   13.9132(6)
_cell_length_b                   10.6234(5)
_cell_length_c                   12.9987(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1921.28(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4380
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      28.4070
_cell_measurement_theta_min      2.8900
_shelx_estimated_absorpt_T_max   0.811
_shelx_estimated_absorpt_T_min   0.219
_exptl_absorpt_coefficient_mu    4.371
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.662
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       sheet
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10488
_diffrn_reflns_point_group_measured_fraction_full 0.910
_diffrn_reflns_point_group_measured_fraction_max 0.739
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.185
_diffrn_reflns_theta_min         1.917
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -93.00 -17.00   0.50    2.00    --   -3.60 -77.00 -30.00  152
  2  ω      5.00  32.00   0.50    2.00    --   -3.60 -77.00 -30.00   54
  3  ω      0.00  42.00   0.50    2.00    --    3.60  38.00 -30.00   84
  4  ω     61.00  86.00   0.50    2.00    --    3.60  38.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0090423000
_diffrn_orient_matrix_UB_12      -0.0656964000
_diffrn_orient_matrix_UB_13      0.0007810000
_diffrn_orient_matrix_UB_21      0.0484779000
_diffrn_orient_matrix_UB_22      0.0111802000
_diffrn_orient_matrix_UB_23      -0.0141689000
_diffrn_orient_matrix_UB_31      0.0129027000
_diffrn_orient_matrix_UB_32      0.0040469000
_diffrn_orient_matrix_UB_33      0.0526996000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.630
_reflns_Friedel_fraction_full    0.812
_reflns_Friedel_fraction_max     0.597
_reflns_number_gt                3393
_reflns_number_total             3830
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.647
_refine_diff_density_rms         0.551
_refine_ls_abs_structure_details 
;
 Flack x determined using 1282 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.04(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         3830
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0317
_refine_ls_restrained_S_all      1.198
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0628P)²+0.6635P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.1192
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C4(H4), C7(H7)
2.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C2(H2A,H2B,H2C), C6(H6A,H6B,H6C), C3(H3A,
 H3B,H3C), C8(H8A,H8B,H8C)
;
_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
Ag4 Ag 0.68432(7) 0.56539(10) 0.41108(8) 0.0299(2) Uani 1 1 d . . . . .
Ag2 Ag 0.60302(8) 0.47938(9) 0.07344(8) 0.0334(3) Uani 1 1 d . . . . .
Ag3 Ag 0.49313(7) 0.48661(10) 0.29351(9) 0.0328(3) Uani 1 1 d . . . . .
Ag1 Ag 0.79769(8) 0.54023(12) 0.17537(9) 0.0392(3) Uani 1 1 d . . . . .
S1 S 0.6655(2) 0.4197(3) 0.2465(2) 0.0189(5) Uani 1 1 d . . . . .
S3 S 0.6319(2) 0.5897(3) -0.0897(3) 0.0209(5) Uani 1 1 d . . . . .
S2 S 0.9223(2) 0.6017(3) 0.0598(2) 0.0229(6) Uani 1 1 d . . . . .
F1 F 0.6213(7) 0.9416(8) 0.1456(7) 0.044(2) Uani 1 1 d . . . . .
F2 F 0.4787(7) 0.9368(9) 0.2056(10) 0.059(3) Uani 1 1 d . . . . .
F3 F 0.5988(9) 0.9633(9) 0.3073(7) 0.056(3) Uani 1 1 d . . . . .
C11 C 0.5688(10) 0.9008(12) 0.2229(10) 0.027(3) Uani 1 1 d . . . . .
C1 C 0.7014(8) 0.2522(11) 0.2566(10) 0.022(2) Uani 1 1 d . . . . .
H1 H 0.6432 0.2001 0.2569 0.026 Uiso 1 1 calc R . . . .
C5 C 1.0192(10) 0.8198(15) 0.0023(12) 0.039(3) Uani 1 1 d . . . . .
H5A H 1.0780 0.7763 0.0172 0.058 Uiso 1 1 calc GR . . . .
H5B H 1.0285 0.9087 0.0112 0.058 Uiso 1 1 calc GR . . . .
H5C H 1.0005 0.8030 -0.0675 0.058 Uiso 1 1 calc GR . . . .
O1 O 0.5034(7) 0.6953(9) 0.2359(8) 0.036(2) Uani 1 1 d . . . . .
O2 O 0.6617(8) 0.7201(10) 0.2508(11) 0.051(3) Uani 1 1 d . . . . .
C9 C 0.4940(9) 0.7623(14) -0.0272(11) 0.032(3) Uani 1 1 d . . . . .
H9A H 0.4572 0.7432 -0.0877 0.048 Uiso 1 1 calc GR . . . .
H9B H 0.4793 0.8462 -0.0046 0.048 Uiso 1 1 calc GR . . . .
H9C H 0.4782 0.7035 0.0263 0.048 Uiso 1 1 calc GR . . . .
C4 C 0.9387(9) 0.7732(12) 0.0768(10) 0.025(3) Uani 1 1 d . . . . .
H4 H 0.9601 0.7884 0.1476 0.030 Uiso 1 1 calc R . . . .
C2 C 0.7632(11) 0.2150(13) 0.1629(11) 0.036(3) Uani 1 1 d . . . . .
H2A H 0.7332 0.2452 0.1011 0.053 Uiso 1 1 calc GR . . . .
H2B H 0.7689 0.1251 0.1598 0.053 Uiso 1 1 calc GR . . . .
H2C H 0.8259 0.2518 0.1694 0.053 Uiso 1 1 calc GR . . . .
C7 C 0.5997(8) 0.7529(11) -0.0517(10) 0.021(2) Uani 1 1 d . . . . .
H7 H 0.6356 0.7738 0.0108 0.025 Uiso 1 1 calc R . . . .
C10 C 0.5774(10) 0.7558(12) 0.2361(10) 0.027(3) Uani 1 1 d . . . . .
C6 C 0.8449(10) 0.8489(16) 0.0588(14) 0.046(4) Uani 1 1 d . . . . .
H6A H 0.8175 0.8255 -0.0062 0.070 Uiso 1 1 calc GR . . . .
H6B H 0.8592 0.9373 0.0586 0.070 Uiso 1 1 calc GR . . . .
H6C H 0.8000 0.8307 0.1128 0.070 Uiso 1 1 calc GR . . . .
C3 C 0.7529(11) 0.2324(15) 0.3544(12) 0.040(3) Uani 1 1 d . . . . .
H3A H 0.8100 0.2831 0.3553 0.061 Uiso 1 1 calc GR . . . .
H3B H 0.7702 0.1452 0.3607 0.061 Uiso 1 1 calc GR . . . .
H3C H 0.7122 0.2559 0.4107 0.061 Uiso 1 1 calc GR . . . .
C8 C 0.6287(11) 0.8424(14) -0.1330(12) 0.041(4) Uani 1 1 d . . . . .
H8A H 0.6893 0.8168 -0.1614 0.061 Uiso 1 1 calc GR . . . .
H8B H 0.6348 0.9252 -0.1041 0.061 Uiso 1 1 calc GR . . . .
H8C H 0.5810 0.8433 -0.1863 0.061 Uiso 1 1 calc GR . . . .


_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
Ag4 Ag3 3.1799(15) . ?
Ag4 S1 2.653(3) . ?
Ag4 S3 2.570(3) 4_655 ?
Ag4 S2 2.467(3) 4_655 ?
Ag2 Ag3 3.2444(16) . ?
Ag2 Ag1 3.0837(15) . ?
Ag2 S1 2.494(3) . ?
Ag2 S3 2.456(3) . ?
Ag2 S2 2.664(3) 3_465 ?
Ag3 Ag1 3.1359(16) 3_465 ?
Ag3 S1 2.574(3) . ?
Ag3 S3 2.447(3) 2_665 ?
Ag3 O1 2.344(10) . ?
Ag1 Ag3 3.1360(16) 3_565 ?
Ag1 S1 2.425(3) . ?
Ag1 S2 2.385(3) . ?
S1 C1 1.853(12) . ?
S3 Ag4 2.570(3) 4_654 ?
S3 Ag3 2.447(3) 2_664 ?
S3 C7 1.858(12) . ?
S2 Ag4 2.467(3) 4_654 ?
S2 Ag2 2.663(3) 3_565 ?
S2 C4 1.850(12) . ?
F1 C11 1.316(16) . ?
F2 C11 1.329(16) . ?
F3 C11 1.348(16) . ?
C11 C10 1.554(17) . ?
C1 H1 0.9800 . ?
C1 C2 1.543(19) . ?
C1 C3 1.474(19) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 C4 1.561(19) . ?
O1 C10 1.214(16) . ?
O2 C10 1.247(17) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 C7 1.508(17) . ?
C4 H4 0.9800 . ?
C4 C6 1.550(19) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C7 H7 0.9800 . ?
C7 C8 1.477(19) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?

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
S1 Ag4 Ag3 51.41(7) . . ?
S3 Ag4 Ag3 148.96(8) 4_655 . ?
S3 Ag4 S1 98.85(9) 4_655 . ?
S2 Ag4 Ag3 85.11(8) 4_655 . ?
S2 Ag4 S1 131.56(10) 4_655 . ?
S2 Ag4 S3 125.85(11) 4_655 4_655 ?
Ag1 Ag2 Ag3 91.73(4) . . ?
S1 Ag2 Ag3 51.30(7) . . ?
S1 Ag2 Ag1 50.18(7) . . ?
S1 Ag2 S2 107.86(10) . 3_465 ?
S3 Ag2 Ag3 145.81(8) . . ?
S3 Ag2 Ag1 97.30(8) . . ?
S3 Ag2 S1 147.49(11) . . ?
S3 Ag2 S2 104.56(10) . 3_465 ?
S2 Ag2 Ag3 67.76(7) 3_465 . ?
S2 Ag2 Ag1 157.74(8) 3_465 . ?
Ag4 Ag3 Ag2 92.05(4) . . ?
Ag1 Ag3 Ag4 169.95(5) 3_465 . ?
Ag1 Ag3 Ag2 88.55(4) 3_465 . ?
S1 Ag3 Ag4 53.67(7) . . ?
S1 Ag3 Ag2 49.11(7) . . ?
S1 Ag3 Ag1 131.78(8) . 3_465 ?
S3 Ag3 Ag4 112.57(9) 2_665 . ?
S3 Ag3 Ag2 150.94(9) 2_665 . ?
S3 Ag3 Ag1 69.95(8) 2_665 3_465 ?
S3 Ag3 S1 135.88(10) 2_665 . ?
O1 Ag3 Ag4 81.6(2) . . ?
O1 Ag3 Ag2 73.3(3) . . ?
O1 Ag3 Ag1 89.0(2) . 3_465 ?
O1 Ag3 S1 97.4(3) . . ?
O1 Ag3 S3 123.7(3) . 2_665 ?
Ag2 Ag1 Ag3 162.36(5) . 3_565 ?
S1 Ag1 Ag2 52.18(8) . . ?
S1 Ag1 Ag3 115.03(8) . 3_565 ?
S2 Ag1 Ag2 115.17(9) . . ?
S2 Ag1 Ag3 72.72(8) . 3_565 ?
S2 Ag1 S1 159.44(12) . . ?
Ag2 S1 Ag4 127.84(11) . . ?
Ag2 S1 Ag3 79.59(9) . . ?
Ag3 S1 Ag4 74.91(8) . . ?
Ag1 S1 Ag4 85.67(10) . . ?
Ag1 S1 Ag2 77.64(10) . . ?
Ag1 S1 Ag3 130.64(12) . . ?
C1 S1 Ag4 118.5(4) . . ?
C1 S1 Ag2 113.7(4) . . ?
C1 S1 Ag3 120.0(4) . . ?
C1 S1 Ag1 109.2(4) . . ?
Ag2 S3 Ag4 96.41(11) . 4_654 ?
Ag3 S3 Ag4 132.58(13) 2_664 4_654 ?
Ag3 S3 Ag2 105.14(11) 2_664 . ?
C7 S3 Ag4 109.5(4) . 4_654 ?
C7 S3 Ag2 100.2(4) . . ?
C7 S3 Ag3 107.6(4) . 2_664 ?
Ag4 S2 Ag2 124.70(12) 4_654 3_565 ?
Ag1 S2 Ag4 90.78(10) . 4_654 ?
Ag1 S2 Ag2 123.76(12) . 3_565 ?
C4 S2 Ag4 108.8(4) . 4_654 ?
C4 S2 Ag2 101.2(4) . 3_565 ?
C4 S2 Ag1 106.5(4) . . ?
F1 C11 F2 107.4(11) . . ?
F1 C11 F3 106.7(11) . . ?
F1 C11 C10 111.6(10) . . ?
F2 C11 F3 106.7(12) . . ?
F2 C11 C10 112.2(11) . . ?
F3 C11 C10 111.9(10) . . ?
S1 C1 H1 108.6 . . ?
C2 C1 S1 109.9(9) . . ?
C2 C1 H1 108.6 . . ?
C3 C1 S1 109.2(10) . . ?
C3 C1 H1 108.6 . . ?
C3 C1 C2 111.9(11) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
C10 O1 Ag3 123.5(9) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
S2 C4 H4 108.2 . . ?
C5 C4 S2 109.0(9) . . ?
C5 C4 H4 108.2 . . ?
C6 C4 S2 112.9(9) . . ?
C6 C4 C5 110.2(12) . . ?
C6 C4 H4 108.2 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
S3 C7 H7 107.9 . . ?
C9 C7 S3 110.7(9) . . ?
C9 C7 H7 107.9 . . ?
C8 C7 S3 110.1(9) . . ?
C8 C7 C9 112.1(11) . . ?
C8 C7 H7 107.9 . . ?
O1 C10 C11 117.3(12) . . ?
O1 C10 O2 129.5(12) . . ?
O2 C10 C11 113.0(12) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

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
Ag4 S1 C1 C2 -133.5(8) . . . . ?
Ag4 S1 C1 C3 -10.4(11) . . . . ?
Ag4 S3 C7 C9 -166.7(8) 4_654 . . . ?
Ag4 S3 C7 C8 68.8(10) 4_654 . . . ?
Ag4 S2 C4 C5 -82.9(9) 4_654 . . . ?
Ag4 S2 C4 C6 39.9(11) 4_654 . . . ?
Ag2 S1 C1 C2 46.8(9) . . . . ?
Ag2 S1 C1 C3 169.8(8) . . . . ?
Ag2 S3 C7 C9 -66.1(9) . . . . ?
Ag2 S3 C7 C8 169.4(9) . . . . ?
Ag2 S2 C4 C5 50.0(9) 3_565 . . . ?
Ag2 S2 C4 C6 172.8(10) 3_565 . . . ?
Ag3 S1 C1 C2 138.2(7) . . . . ?
Ag3 S1 C1 C3 -98.7(9) . . . . ?
Ag3 S3 C7 C9 43.5(10) 2_664 . . . ?
Ag3 S3 C7 C8 -81.0(9) 2_664 . . . ?
Ag3 O1 C10 C11 -164.6(8) . . . . ?
Ag3 O1 C10 O2 11(2) . . . . ?
Ag1 S1 C1 C2 -37.8(9) . . . . ?
Ag1 S1 C1 C3 85.2(10) . . . . ?
Ag1 S2 C4 C5 -179.5(8) . . . . ?
Ag1 S2 C4 C6 -56.7(11) . . . . ?
F1 C11 C10 O1 -125.1(14) . . . . ?
F1 C11 C10 O2 58.3(16) . . . . ?
F2 C11 C10 O1 -4.5(18) . . . . ?
F2 C11 C10 O2 178.9(13) . . . . ?
F3 C11 C10 O1 115.5(15) . . . . ?
F3 C11 C10 O2 -61.2(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.314
_oxdiff_exptl_absorpt_empirical_full_min 0.811
####################################################################### 
# 
# 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_3D_MOF
_database_code_depnum_ccdc_archive 'CCDC 2112052'
loop_
_audit_author_name
_audit_author_address
'Chunhua Gong'
;Zhengzhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2022-01-06 downloaded from the CCDC.
;
_audit_creation_date             2020-11-20
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C17 H29 Ag6 O4 S4'
_chemical_formula_sum            'C17 H29 Ag6 O4 S4'
_chemical_formula_weight         1072.86
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
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'
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                   11.2510(4)
_cell_length_b                   19.6897(6)
_cell_length_c                   12.4126(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.191(4)
_cell_angle_gamma                90
_cell_volume                     2596.94(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9489
_cell_measurement_temperature    199.99(10)
_cell_measurement_theta_max      28.6700
_cell_measurement_theta_min      2.7490
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.780
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            color
_exptl_crystal_density_diffrn    2.744
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2036
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.863
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23921
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.159
_diffrn_reflns_theta_min         2.022
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      199.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -92.00 -30.00   0.50    1.00    --   -3.60 -57.00-180.00  124
  2  ω     63.00  93.00   0.50    1.00    --    3.60  19.00 -90.00   60
  3  ω    -24.00  92.00   0.50    1.00    --    3.60  82.00-120.00  232
  4  ω    -21.00  24.00   0.50    1.00    --    3.60  57.00   0.00   90
  5  ω    -41.00  21.00   0.50    1.00    --    3.60  19.00 -90.00  124
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0185513000
_diffrn_orient_matrix_UB_12      -0.0242752000
_diffrn_orient_matrix_UB_13      -0.0335930000
_diffrn_orient_matrix_UB_21      0.0206000000
_diffrn_orient_matrix_UB_22      -0.0220545000
_diffrn_orient_matrix_UB_23      0.0477291000
_diffrn_orient_matrix_UB_31      -0.0607271000
_diffrn_orient_matrix_UB_32      -0.0149043000
_diffrn_orient_matrix_UB_33      -0.0159492000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5369
_reflns_number_total             6039
_reflns_odcompleteness_completeness 99.49
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.823
_refine_diff_density_min         -1.818
_refine_diff_density_rms         0.374
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         6039
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0935
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0415P)²+396.5911P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2321
_refine_ls_wR_factor_ref         0.2413
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C13-C12
 1.45 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(H13A)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=1-FVAR(1)
 Sof(H13)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=FVAR(1)
 Sof(H2B)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=1-FVAR(2)
 Sof(H2A)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C13(H13), C13(H13A), C2(H2A), C2(H2B), C9(H9), C6(H6)
5.b Aromatic/amide H refined with riding coordinates:
 C15(H15)
5.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C1(H1A,H1B,H1C), C7(H7A,H7B,H7C), C5(H5A,H5B,H5C),
 C10(H10A,H10B,H10C), C8(H8A,H8B,H8C), C12(H12A,H12B,H12C), C4(H4A,H4B,H4C),
 C11(H11A,H11B,H11C), C3(H3A,H3B,H3C)
;
_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 0.89842(13) 0.29100(7) 0.69520(13) 0.0285(3) Uani 1 1 d . . . . .
Ag3 Ag 0.75052(14) 0.24644(8) 0.46617(12) 0.0288(3) Uani 1 1 d . . . . .
Ag6 Ag 0.15801(13) 0.29071(8) 0.59786(13) 0.0279(3) Uani 1 1 d . . . . .
Ag5 Ag 0.41937(15) 0.27088(8) 0.76212(13) 0.0305(3) Uani 1 1 d . . . . .
Ag4 Ag 0.51295(14) 0.22248(8) 0.57273(15) 0.0338(4) Uani 1 1 d . . . . .
Ag1 Ag 0.74276(17) 0.24496(10) 0.83665(15) 0.0419(4) Uani 1 1 d . . . . .
S4 S 0.4425(4) 0.2076(2) 0.9310(4) 0.0235(9) Uani 1 1 d . . . . .
S1 S 1.1213(4) 0.3106(2) 0.7820(4) 0.0207(8) Uani 1 1 d . . . . .
S3 S 0.2900(4) 0.2075(2) 0.5216(4) 0.0253(9) Uani 1 1 d . . . . .
S2 S 0.7342(4) 0.1961(2) 0.6574(4) 0.0239(9) Uani 1 1 d . . . . .
O2 O 0.6041(11) 0.3259(6) 0.5069(12) 0.023(3) Uani 1 1 d . . . . .
O3 O 0.4683(12) 0.3546(7) 0.6686(10) 0.027(3) Uani 1 1 d . . . . .
O1 O 0.7569(13) 0.3814(7) 0.6441(16) 0.041(4) Uani 1 1 d . . . . .
O4 O 0.2769(13) 0.3774(8) 0.5469(15) 0.041(4) Uani 1 1 d . . . . .
C14 C 0.2610(18) 0.1139(10) 0.8165(17) 0.030(4) Uani 1 1 d . . . . .
H14A H 0.2097 0.1242 0.8628 0.045 Uiso 1 1 calc GR . . . .
H14B H 0.2428 0.0687 0.7865 0.045 Uiso 1 1 calc GR . . . .
H14C H 0.2432 0.1458 0.7547 0.045 Uiso 1 1 calc GR . . . .
C19 C 0.3916(16) 0.3882(8) 0.5885(15) 0.019(3) Uani 1 1 d . . . . .
C13 C 0.3978(18) 0.1188(10) 0.8880(17) 0.031(4) Uani 1 1 d D . . . .
H13 H 0.4043 0.0950 0.9591 0.037 Uiso 0.60(5) 1 calc R . P A 1
H13A H 0.4432 0.1078 0.8351 0.037 Uiso 0.40(5) 1 calc R . P A 2
C1 C 1.2817(18) 0.4210(11) 0.8545(19) 0.035(5) Uani 1 1 d . . . . .
H1A H 1.3188 0.3988 0.9266 0.053 Uiso 1 1 calc GR . . . .
H1B H 1.2907 0.4693 0.8647 0.053 Uiso 1 1 calc GR . . . .
H1C H 1.3232 0.4063 0.8023 0.053 Uiso 1 1 calc GR . . . .
C16 C 0.6499(16) 0.3767(9) 0.5687(17) 0.022(4) Uani 1 1 d . . . . .
C18 C 0.4494(14) 0.4452(8) 0.5417(14) 0.015(3) Uani 1 1 d . . . . .
C15 C 0.6226(15) 0.4966(8) 0.4988(15) 0.020(3) Uani 1 1 d . . . . .
H15 H 0.7052 0.4949 0.4987 0.024 Uiso 1 1 calc R . . . .
C17 C 0.5733(16) 0.4415(8) 0.5389(16) 0.020(3) Uani 1 1 d . . . . .
C2 C 1.1428(18) 0.4030(9) 0.8068(19) 0.032(5) Uani 1 1 d . . . . .
H2A H 1.1170 0.4218 0.7294 0.039 Uiso 0.47(5) 1 calc R . P B 1
H2B H 1.1168 0.4088 0.8742 0.039 Uiso 0.53(5) 1 calc R . P B 2
C9 C 0.255(3) 0.1149(11) 0.514(2) 0.054(8) Uani 1 1 d . . . . .
H9 H 0.2914 0.0956 0.5907 0.065 Uiso 1 1 calc R . . . .
C6 C 0.783(3) 0.1068(10) 0.689(2) 0.049(7) Uani 1 1 d . . . . .
H6 H 0.7620 0.0856 0.6132 0.059 Uiso 1 1 calc R . . . .
C7 C 0.706(3) 0.0719(12) 0.742(3) 0.079(12) Uani 1 1 d . . . . .
H7A H 0.7036 0.0970 0.8072 0.118 Uiso 1 1 calc GR . . . .
H7B H 0.7401 0.0275 0.7649 0.118 Uiso 1 1 calc GR . . . .
H7C H 0.6221 0.0676 0.6885 0.118 Uiso 1 1 calc GR . . . .
C5 C 0.925(2) 0.1021(13) 0.737(3) 0.063(9) Uani 1 1 d . . . . .
H5A H 0.9613 0.1310 0.6940 0.094 Uiso 1 1 calc GR . . . .
H5B H 0.9503 0.0560 0.7324 0.094 Uiso 1 1 calc GR . . . .
H5C H 0.9523 0.1164 0.8153 0.094 Uiso 1 1 calc GR . . . .
C10 C 0.114(2) 0.1064(14) 0.476(2) 0.055(7) Uani 1 1 d . U . . .
H10A H 0.0814 0.1282 0.5292 0.082 Uiso 1 1 calc GR . . . .
H10B H 0.0936 0.0589 0.4715 0.082 Uiso 1 1 calc GR . . . .
H10C H 0.0772 0.1266 0.4017 0.082 Uiso 1 1 calc GR . . . .
C8 C 0.312(5) 0.080(2) 0.437(3) 0.112(17) Uani 1 1 d . . . . .
H8A H 0.2750 0.0970 0.3606 0.168 Uiso 1 1 calc GR . . . .
H8B H 0.2957 0.0319 0.4371 0.168 Uiso 1 1 calc GR . . . .
H8C H 0.4009 0.0876 0.4622 0.168 Uiso 1 1 calc GR . . . .
C12 C 0.486(3) 0.0854(19) 0.845(4) 0.045(11) Uani 0.60(5) 1 d D . P A 1
H12A H 0.4864 0.1075 0.7763 0.067 Uiso 0.60(5) 1 calc GR . P A 1
H12B H 0.4615 0.0388 0.8290 0.067 Uiso 0.60(5) 1 calc GR . P A 1
H12C H 0.5682 0.0876 0.9009 0.067 Uiso 0.60(5) 1 calc GR . P A 1
C4 C 1.061(4) 0.435(2) 0.856(4) 0.031(11) Uani 0.47(5) 1 d . U P B 1
H4A H 0.9754 0.4294 0.8066 0.047 Uiso 0.47(5) 1 calc GR . P B 1
H4B H 1.0805 0.4825 0.8658 0.047 Uiso 0.47(5) 1 calc GR . P B 1
H4C H 1.0705 0.4147 0.9287 0.047 Uiso 0.47(5) 1 calc GR . P B 1
C11 C 0.454(4) 0.074(2) 0.986(3) 0.019(10) Uani 0.40(5) 1 d . U P A 2
H11A H 0.5410 0.0671 0.9953 0.029 Uiso 0.40(5) 1 calc GR . P A 2
H11B H 0.4106 0.0315 0.9732 0.029 Uiso 0.40(5) 1 calc GR . P A 2
H11C H 0.4465 0.0951 1.0534 0.029 Uiso 0.40(5) 1 calc GR . P A 2
C3 C 1.057(4) 0.4421(19) 0.729(5) 0.048(15) Uani 0.53(5) 1 d . . P B 2
H3A H 1.0698 0.4386 0.6566 0.073 Uiso 0.53(5) 1 calc GR . P B 2
H3B H 1.0664 0.4885 0.7539 0.073 Uiso 0.53(5) 1 calc GR . P B 2
H3C H 0.9736 0.4267 0.7218 0.073 Uiso 0.53(5) 1 calc GR . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 Ag3 2.917(2) . ?
Ag2 Ag1 2.999(2) . ?
Ag2 S1 2.412(4) . ?
Ag2 S2 2.560(5) . ?
Ag2 O1 2.333(13) . ?
Ag3 S4 2.509(5) 4_665 ?
Ag3 S1 2.532(4) 4_565 ?
Ag3 S2 2.633(5) . ?
Ag3 O2 2.443(12) . ?
Ag6 Ag5 3.002(2) . ?
Ag6 S4 2.621(4) 4_565 ?
Ag6 S1 2.484(5) 1_455 ?
Ag6 S3 2.591(5) . ?
Ag6 O4 2.379(13) . ?
Ag5 Ag4 3.028(2) . ?
Ag5 S4 2.378(5) . ?
Ag5 O3 2.189(12) . ?
Ag4 S3 2.395(5) . ?
Ag4 S2 2.419(5) . ?
Ag4 O2 2.533(11) . ?
Ag1 S3 2.372(5) 4_666 ?
Ag1 S2 2.397(5) . ?
S4 Ag3 2.509(5) 4_566 ?
S4 Ag6 2.621(4) 4_666 ?
S4 C13 1.85(2) . ?
S1 Ag3 2.532(4) 4_666 ?
S1 Ag6 2.484(5) 1_655 ?
S1 C2 1.848(18) . ?
S3 Ag1 2.372(5) 4_565 ?
S3 C9 1.86(2) . ?
S2 C6 1.85(2) . ?
O2 C16 1.26(2) . ?
O3 C19 1.27(2) . ?
O1 C16 1.26(2) . ?
O4 C19 1.24(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C13 1.51(3) . ?
C19 C18 1.51(2) . ?
C13 H13 0.9800 . ?
C13 H13A 0.9800 . ?
C13 C12 1.429(19) . ?
C13 C11 1.46(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.52(3) . ?
C16 C17 1.52(2) . ?
C18 C15 1.40(2) 3_666 ?
C18 C17 1.41(2) . ?
C15 C18 1.40(2) 3_666 ?
C15 H15 0.9300 . ?
C15 C17 1.38(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 C4 1.41(4) . ?
C2 C3 1.36(5) . ?
C9 H9 0.9800 . ?
C9 C10 1.51(3) . ?
C9 C8 1.48(5) . ?
C6 H6 0.9800 . ?
C6 C7 1.43(4) . ?
C6 C5 1.51(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?

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
Ag3 Ag2 Ag1 102.93(6) . . ?
S1 Ag2 Ag3 131.26(12) . . ?
S1 Ag2 Ag1 120.52(13) . . ?
S1 Ag2 S2 141.24(15) . . ?
S2 Ag2 Ag3 57.03(11) . . ?
S2 Ag2 Ag1 50.33(11) . . ?
O1 Ag2 Ag3 81.1(4) . . ?
O1 Ag2 Ag1 85.0(4) . . ?
O1 Ag2 S1 121.0(4) . . ?
O1 Ag2 S2 96.9(3) . . ?
S4 Ag3 Ag2 79.24(11) 4_665 . ?
S4 Ag3 S1 105.93(15) 4_665 4_565 ?
S4 Ag3 S2 127.69(15) 4_665 . ?
S1 Ag3 Ag2 170.81(12) 4_565 . ?
S1 Ag3 S2 117.21(15) 4_565 . ?
S2 Ag3 Ag2 54.63(11) . . ?
O2 Ag3 Ag2 79.2(3) . . ?
O2 Ag3 S4 118.9(3) . 4_665 ?
O2 Ag3 S1 104.2(3) . 4_565 ?
O2 Ag3 S2 78.6(3) . . ?
S4 Ag6 Ag5 169.55(12) 4_565 . ?
S1 Ag6 Ag5 79.49(10) 1_455 . ?
S1 Ag6 S4 109.57(15) 1_455 4_565 ?
S1 Ag6 S3 136.44(15) 1_455 . ?
S3 Ag6 Ag5 67.35(11) . . ?
S3 Ag6 S4 102.20(15) . 4_565 ?
O4 Ag6 Ag5 76.3(3) . . ?
O4 Ag6 S4 103.6(4) . 4_565 ?
O4 Ag6 S1 114.2(5) . 1_455 ?
O4 Ag6 S3 85.2(4) . . ?
Ag6 Ag5 Ag4 91.52(6) . . ?
S4 Ag5 Ag6 117.77(12) . . ?
S4 Ag5 Ag4 123.65(13) . . ?
O3 Ag5 Ag6 84.4(3) . . ?
O3 Ag5 Ag4 67.2(4) . . ?
O3 Ag5 S4 152.7(4) . . ?
S3 Ag4 Ag5 69.11(12) . . ?
S3 Ag4 S2 158.02(17) . . ?
S3 Ag4 O2 120.9(3) . . ?
S2 Ag4 Ag5 107.52(13) . . ?
S2 Ag4 O2 81.1(3) . . ?
O2 Ag4 Ag5 106.1(3) . . ?
S3 Ag1 Ag2 117.33(13) 4_666 . ?
S3 Ag1 S2 169.96(18) 4_666 . ?
S2 Ag1 Ag2 55.29(12) . . ?
Ag3 S4 Ag6 118.92(19) 4_566 4_666 ?
Ag5 S4 Ag3 96.51(15) . 4_566 ?
Ag5 S4 Ag6 119.68(18) . 4_666 ?
C13 S4 Ag3 102.9(7) . 4_566 ?
C13 S4 Ag6 109.5(6) . 4_666 ?
C13 S4 Ag5 107.5(7) . . ?
Ag2 S1 Ag3 122.45(19) . 4_666 ?
Ag2 S1 Ag6 91.53(14) . 1_655 ?
Ag6 S1 Ag3 122.75(17) 1_655 4_666 ?
C2 S1 Ag2 107.0(6) . . ?
C2 S1 Ag3 106.3(7) . 4_666 ?
C2 S1 Ag6 104.8(8) . 1_655 ?
Ag4 S3 Ag6 120.07(18) . . ?
Ag1 S3 Ag6 97.52(17) 4_565 . ?
Ag1 S3 Ag4 95.13(17) 4_565 . ?
C9 S3 Ag6 120.2(10) . . ?
C9 S3 Ag4 108.5(9) . . ?
C9 S3 Ag1 111.2(9) . 4_565 ?
Ag2 S2 Ag3 68.34(12) . . ?
Ag4 S2 Ag2 120.04(18) . . ?
Ag4 S2 Ag3 83.93(14) . . ?
Ag1 S2 Ag2 74.38(14) . . ?
Ag1 S2 Ag3 133.82(19) . . ?
Ag1 S2 Ag4 92.21(17) . . ?
C6 S2 Ag2 120.7(9) . . ?
C6 S2 Ag3 116.4(10) . . ?
C6 S2 Ag4 119.2(9) . . ?
C6 S2 Ag1 105.6(9) . . ?
Ag3 O2 Ag4 85.6(4) . . ?
C16 O2 Ag3 117.7(10) . . ?
C16 O2 Ag4 124.7(11) . . ?
C19 O3 Ag5 125.7(11) . . ?
C16 O1 Ag2 123.0(12) . . ?
C19 O4 Ag6 127.7(12) . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
O3 C19 C18 115.0(14) . . ?
O4 C19 O3 125.8(16) . . ?
O4 C19 C18 119.3(15) . . ?
S4 C13 H13 105.1 . . ?
S4 C13 H13A 104.4 . . ?
C14 C13 S4 111.0(14) . . ?
C14 C13 H13 105.1 . . ?
C14 C13 H13A 104.4 . . ?
C12 C13 S4 113(2) . . ?
C12 C13 C14 117(2) . . ?
C12 C13 H13 105.1 . . ?
C11 C13 S4 109(2) . . ?
C11 C13 C14 122(2) . . ?
C11 C13 H13A 104.4 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O2 C16 C17 115.6(16) . . ?
O1 C16 O2 127.5(16) . . ?
O1 C16 C17 116.4(16) . . ?
C15 C18 C19 118.5(14) 3_666 . ?
C15 C18 C17 119.7(14) 3_666 . ?
C17 C18 C19 121.9(14) . . ?
C18 C15 H15 119.4 3_666 . ?
C17 C15 C18 121.3(15) . 3_666 ?
C17 C15 H15 119.4 . . ?
C18 C17 C16 121.7(14) . . ?
C15 C17 C16 119.0(15) . . ?
C15 C17 C18 119.1(15) . . ?
S1 C2 H2A 103.2 . . ?
S1 C2 H2B 101.4 . . ?
C1 C2 S1 110.9(13) . . ?
C1 C2 H2A 103.2 . . ?
C1 C2 H2B 101.4 . . ?
C4 C2 S1 116(2) . . ?
C4 C2 C1 118(2) . . ?
C4 C2 H2A 103.2 . . ?
C3 C2 S1 115(2) . . ?
C3 C2 C1 123(2) . . ?
C3 C2 H2B 101.4 . . ?
S3 C9 H9 108.6 . . ?
C10 C9 S3 107.8(18) . . ?
C10 C9 H9 108.6 . . ?
C8 C9 S3 111(2) . . ?
C8 C9 H9 108.6 . . ?
C8 C9 C10 112(3) . . ?
S2 C6 H6 104.1 . . ?
C7 C6 S2 111.9(19) . . ?
C7 C6 H6 104.1 . . ?
C7 C6 C5 121(2) . . ?
C5 C6 S2 110.1(17) . . ?
C5 C6 H6 104.1 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C13 C11 H11A 109.5 . . ?
C13 C11 H11B 109.5 . . ?
C13 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.352
_oxdiff_exptl_absorpt_empirical_full_min 0.788
