#------------------------------------------------------------------------------
#$Date: 2022-03-05 00:15:21 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273374 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/93/7709364.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709364
loop_
_publ_author_name
'Hu, Lei'
'Sheng, Ming-Ming'
'Qin, Shun-Shun'
'Shi, Hua-Tian'
'Strømme, Maria'
'Zhang, Qian-Feng'
'Xu, Chao'
_publ_section_title
;
 Molecular surface modification of silver chalcogenolate clusters.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3241
_journal_page_last               3247
_journal_paper_doi               10.1039/d2dt00016d
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C72 H96 Ag12 F18 N6 O12 S6'
_chemical_formula_sum            'C72 H96 Ag12 F18 N6 O12 S6'
_chemical_formula_weight         3066.34
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-01-22
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-01-24 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   27.392(4)
_cell_length_b                   27.392(4)
_cell_length_c                   11.302(3)
_cell_measurement_reflns_used    6150
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.4766
_cell_measurement_theta_min      2.4892
_cell_volume                     7344(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15509
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         2.489
_exptl_absorpt_coefficient_mu    2.558
_exptl_absorpt_correction_T_max  0629
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.080
_exptl_crystal_description       block
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.00037(3)
_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   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3755
_refine_ls_number_restraints     429
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0325P)²+14.9180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0725
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3091
_reflns_number_total             3755
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00016d2.cif
_cod_data_source_block           r-3
_cod_depositor_comments
'Adding full bibliography for 7709363--7709369.cif.'
_cod_original_cell_volume        7344(3)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7709364
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.629
_shelx_estimated_absorpt_t_min   0.591
_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. Restrained distances
 Ag1-O2 \\sim Ag1-O2A
 with sigma of 0.02
 F3-C10 \\sim F3A-C10A
 with sigma of 0.04
 F1-C11 \\sim F1A-C11A
 with sigma of 0.02
 F2-C11 \\sim F2A-C11A
 with sigma of 0.02
 F3-C11 \\sim F3A-C11A
 with sigma of 0.02
 F2-C10 \\sim F2A-C10A
 with sigma of 0.04
 O1-O2 \\sim O1A-O2A
 with sigma of 0.04
 O1-C10 \\sim O1A-C10A
 with sigma of 0.02
 O2-C11 \\sim O2A-C11A
 with sigma of 0.04
 O2-C10 \\sim O2A-C10A
 with sigma of 0.02
 F2-F3 \\sim F2A-F3A
 with sigma of 0.04
 C10-C11 \\sim C10A-C11A
 with sigma of 0.02
 O1-C11 \\sim O1A-C11A
 with sigma of 0.04
 Ag1-C10 \\sim Ag1-C10A
 with sigma of 0.04
 F1-F2 \\sim F1A-F2A
 with sigma of 0.04
 F1-F3 \\sim F1A-F3A
 with sigma of 0.04
 F1-C10 \\sim F1A-C10A
 with sigma of 0.04
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(O1A) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O2A)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 O2, F1, C11, F2, F3, C10, O1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O2A, F1A, C11A, F2A, F3A, C10A, O1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6. Others
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(O1A)=Sof(O2A)=Sof(C10A)=Sof(C11A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=Sof(O1)=Sof(O2)=Sof(C10)=Sof(C11)=FVAR(1)
7.a Ternary CH refined with riding coordinates:
 C7(H7)
7.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3)
7.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.07191(2) 0.04366(2) -0.14759(2) 0.04594(10) Uani 1 1 d D U . . .
Ag2 Ag 0.13404(2) 0.16307(2) 0.00380(3) 0.05942(11) Uani 1 1 d . U . . .
S1 S 0.07210(3) -0.04685(3) -0.12722(7) 0.03899(17) Uani 1 1 d . U . . .
F1 F 0.2376(6) 0.1730(6) -0.4065(16) 0.109(3) Uani 0.389(12) 1 d D U P A 1
F2 F 0.2423(6) 0.0982(6) -0.4164(13) 0.109(3) Uani 0.389(12) 1 d D U P A 1
F3 F 0.2907(5) 0.1643(7) -0.2902(13) 0.121(4) Uani 0.389(12) 1 d D U P A 1
O1 O 0.1375(4) 0.2169(6) 0.1912(11) 0.064(3) Uani 0.389(12) 1 d D U P A 1
O2 O 0.1577(4) 0.1078(4) -0.2426(12) 0.071(2) Uani 0.389(12) 1 d D U P A 1
N1 N 0.22760(12) 0.22992(12) -0.0148(3) 0.0533(7) Uani 1 1 d . U . . .
C1 C 0.26271(17) 0.20980(18) -0.0177(4) 0.0683(10) Uani 1 1 d . U . . .
H1 H 0.247671 0.170957 -0.020971 0.082 Uiso 1 1 calc R U . . .
C2 C 0.3197(2) 0.2434(2) -0.0162(5) 0.0895(14) Uani 1 1 d . U . . .
H2 H 0.343113 0.227952 -0.018667 0.107 Uiso 1 1 calc R U . . .
C3 C 0.34189(18) 0.3007(2) -0.0110(5) 0.0858(13) Uani 1 1 d . U . . .
H3 H 0.380790 0.324260 -0.008950 0.103 Uiso 1 1 calc R U . . .
C4 C 0.30746(17) 0.32336(17) -0.0089(4) 0.0655(10) Uani 1 1 d . U . . .
C5 C 0.24936(15) 0.28628(15) -0.0112(3) 0.0537(8) Uani 1 1 d . U . . .
C6 C 0.20839(18) 0.30692(18) -0.0094(5) 0.0791(13) Uani 1 1 d . U . . .
H6A H 0.208983 0.322523 0.066985 0.119 Uiso 1 1 calc R U . . .
H6B H 0.171216 0.276103 -0.025219 0.119 Uiso 1 1 calc R U . . .
H6C H 0.218524 0.335435 -0.068840 0.119 Uiso 1 1 calc R U . . .
C7 C 0.09623(18) -0.05755(18) -0.2745(3) 0.0601(9) Uani 1 1 d . U . . .
H7 H 0.136337 -0.029145 -0.279268 0.072 Uiso 1 1 calc R U . . .
C8 C 0.0938(3) -0.1121(2) -0.2795(5) 0.1031(18) Uani 1 1 d . U . . .
H8A H 0.103578 -0.117985 -0.357731 0.155 Uiso 1 1 calc R U . . .
H8B H 0.056355 -0.141562 -0.260701 0.155 Uiso 1 1 calc R U . . .
H8C H 0.119940 -0.112530 -0.223509 0.155 Uiso 1 1 calc R U . . .
C9 C 0.0689(2) -0.0449(2) -0.3739(3) 0.0746(12) Uani 1 1 d . U . . .
H9A H 0.028793 -0.069266 -0.369400 0.112 Uiso 1 1 calc R U . . .
H9B H 0.082462 -0.050959 -0.447647 0.112 Uiso 1 1 calc R U . . .
H9C H 0.077758 -0.006351 -0.368985 0.112 Uiso 1 1 calc R U . . .
C10 C 0.1983(6) 0.1032(8) -0.2460(16) 0.063(2) Uani 0.389(12) 1 d D U P A 1
C11 C 0.2411(6) 0.1351(7) -0.3401(14) 0.079(2) Uani 0.389(12) 1 d D U P A 1
C12 C 0.3308(2) 0.38658(19) -0.0058(5) 0.1002(17) Uani 1 1 d . U . . .
H12A H 0.370845 0.405471 0.005666 0.150 Uiso 1 1 calc R U . . .
H12B H 0.313678 0.395730 0.058166 0.150 Uiso 1 1 calc R U . . .
H12C H 0.322526 0.398549 -0.079234 0.150 Uiso 1 1 calc R U . . .
F1A F 0.2193(4) 0.1643(5) -0.4256(9) 0.110(2) Uani 0.611(12) 1 d D U P A 2
F2A F 0.2604(4) 0.1177(4) -0.4158(8) 0.1020(19) Uani 0.611(12) 1 d D U P A 2
F3A F 0.2845(3) 0.1861(3) -0.3001(7) 0.099(2) Uani 0.611(12) 1 d D U P A 2
O1A O 0.1176(5) 0.2089(5) 0.1643(9) 0.099(3) Uani 0.611(12) 1 d D U P A 2
O2A O 0.1467(2) 0.0893(3) -0.2959(7) 0.0703(16) Uani 0.611(12) 1 d D U P A 2
C10A C 0.1953(4) 0.1044(5) -0.2605(9) 0.0565(15) Uani 0.611(12) 1 d D U P A 2
C11A C 0.2410(4) 0.1430(4) -0.3481(8) 0.0668(14) Uani 0.611(12) 1 d D U P A 2
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'
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'
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
Ag1 Ag1 Ag1 60.0 3 2 ?
Ag1 Ag1 Ag2 142.740(10) 3 . ?
Ag1 Ag1 Ag2 146.252(10) 2 11 ?
Ag1 Ag1 Ag2 103.358(11) 3 11 ?
Ag1 Ag1 Ag2 97.183(11) 2 . ?
Ag2 Ag1 Ag2 79.134(9) 11 . ?
S1 Ag1 Ag1 112.945(19) . 2 ?
S1 Ag1 Ag1 53.357(19) 2 2 ?
S1 Ag1 Ag1 113.067(19) 2 3 ?
S1 Ag1 Ag1 53.234(19) . 3 ?
S1 Ag1 Ag2 49.598(19) 2 . ?
S1 Ag1 Ag2 55.460(19) . 11 ?
S1 Ag1 Ag2 132.80(2) . . ?
S1 Ag1 Ag2 128.23(2) 2 11 ?
S1 Ag1 S1 162.62(3) 2 . ?
O2 Ag1 Ag1 146.3(3) . 3 ?
O2 Ag1 Ag1 133.9(3) . 2 ?
O2 Ag1 Ag2 70.9(3) . . ?
O2 Ag1 Ag2 77.0(3) . 11 ?
O2 Ag1 S1 106.6(2) . . ?
O2 Ag1 S1 90.5(2) . 2 ?
O2A Ag1 Ag1 129.11(14) . 2 ?
O2A Ag1 Ag1 129.3(2) . 3 ?
O2A Ag1 Ag2 87.9(2) . . ?
O2A Ag1 Ag2 84.52(15) . 11 ?
O2A Ag1 S1 98.84(18) . . ?
O2A Ag1 S1 98.45(18) . 2 ?
Ag1 Ag2 Ag1 70.766(17) 12 . ?
S1 Ag2 Ag1 65.76(2) 12 . ?
S1 Ag2 Ag1 48.153(18) 2 . ?
S1 Ag2 Ag1 49.473(17) 12 12 ?
S1 Ag2 Ag1 69.68(2) 2 12 ?
S1 Ag2 S1 100.84(3) 2 12 ?
S1 Ag2 O1 120.8(3) 2 . ?
O1 Ag2 Ag1 148.3(3) . . ?
O1 Ag2 Ag1 77.6(3) . 12 ?
O1 Ag2 S1 92.8(4) . 12 ?
N1 Ag2 Ag1 153.11(8) . 12 ?
N1 Ag2 Ag1 123.92(8) . . ?
N1 Ag2 S1 137.21(8) . 2 ?
N1 Ag2 S1 112.21(8) . 12 ?
N1 Ag2 O1 84.9(3) . . ?
N1 Ag2 O1A 94.6(3) . . ?
O1A Ag2 Ag1 141.1(3) . . ?
O1A Ag2 S1 108.4(3) . 2 ?
Ag1 S1 Ag1 73.41(2) 3 . ?
Ag1 S1 Ag2 82.25(2) 3 3 ?
Ag1 S1 Ag2 139.20(3) . 3 ?
Ag1 S1 Ag2 136.62(3) 3 11 ?
Ag1 S1 Ag2 75.07(2) . 11 ?
Ag2 S1 Ag2 103.78(3) 3 11 ?
C7 S1 Ag1 104.52(12) . . ?
C7 S1 Ag1 107.65(13) . 3 ?
C7 S1 Ag2 113.94(13) . 3 ?
C7 S1 Ag2 108.56(14) . 11 ?
C10 O1 Ag2 116.2(10) 12 . ?
C10 O2 Ag1 124.8(10) . . ?
C1 N1 Ag2 115.0(3) . . ?
C1 N1 C5 118.6(3) . . ?
C5 N1 Ag2 126.0(2) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 122.9(4) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.6(5) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 117.7(4) . . ?
C3 C4 C12 121.9(4) . . ?
C5 C4 C12 120.5(4) . . ?
N1 C5 C4 121.6(4) . . ?
N1 C5 C6 116.7(3) . . ?
C4 C5 C6 121.7(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
S1 C7 H7 105.6 . . ?
C8 C7 S1 110.9(3) . . ?
C8 C7 H7 105.6 . . ?
C8 C7 C9 116.0(4) . . ?
C9 C7 S1 112.3(3) . . ?
C9 C7 H7 105.6 . . ?
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 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C10 O2 136.8(15) 11 . ?
O1 C10 C11 105.5(12) 11 . ?
O2 C10 C11 117.6(14) . . ?
F1 C11 F2 105.4(14) . . ?
F1 C11 C10 121.3(13) . . ?
F2 C11 C10 108.9(12) . . ?
F3 C11 F1 102.9(12) . . ?
F3 C11 F2 109.2(13) . . ?
F3 C11 C10 108.7(12) . . ?
C4 C12 H12A 109.5 . . ?
C4 C12 H12B 109.5 . . ?
C4 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10A O1A Ag2 137.8(8) 12 . ?
C10A O2A Ag1 115.6(5) . . ?
O1A C10A C11A 120.0(8) 11 . ?
O2A C10A O1A 127.0(9) . 11 ?
O2A C10A C11A 113.0(8) . . ?
F1A C11A C10A 109.5(8) . . ?
F2A C11A F1A 103.5(8) . . ?
F2A C11A C10A 114.9(7) . . ?
F3A C11A F1A 106.2(7) . . ?
F3A C11A F2A 107.0(7) . . ?
F3A C11A C10A 114.7(8) . . ?
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 Ag1 2.9772(6) 2 ?
Ag1 Ag1 2.9771(6) 3 ?
Ag1 Ag2 3.1684(5) 11 ?
Ag1 Ag2 3.3100(5) . ?
Ag1 S1 2.4884(8) 2 ?
Ag1 S1 2.4925(8) . ?
Ag1 O2 2.373(8) . ?
Ag1 O2A 2.451(5) . ?
Ag2 S1 2.5438(9) 2 ?
Ag2 S1 2.7012(9) 12 ?
Ag2 O1 2.555(11) . ?
Ag2 N1 2.296(3) . ?
Ag2 O1A 2.372(9) . ?
S1 C7 1.867(4) . ?
F1 C11 1.322(13) . ?
F2 C11 1.342(13) . ?
F3 C11 1.310(13) . ?
O1 C10 1.18(2) 12 ?
O2 C10 1.183(13) . ?
N1 C1 1.327(5) . ?
N1 C5 1.349(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.359(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.370(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.365(7) . ?
C4 C5 1.396(5) . ?
C4 C12 1.517(6) . ?
C5 C6 1.488(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9800 . ?
C7 C8 1.463(6) . ?
C7 C9 1.484(6) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.497(12) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
F1A C11A 1.346(9) . ?
F2A C11A 1.311(9) . ?
F3A C11A 1.304(8) . ?
O1A C10A 1.260(15) 12 ?
O2A C10A 1.245(9) . ?
C10A C11A 1.530(9) . ?
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 S1 C7 C8 -98.2(4) 3 . . . ?
Ag1 S1 C7 C8 -175.1(4) . . . . ?
Ag1 S1 C7 C9 33.3(3) 3 . . . ?
Ag1 S1 C7 C9 -43.6(3) . . . . ?
Ag1 O2 C10 O1 -21(3) . . . 11 ?
Ag1 O2 C10 C11 160.2(12) . . . . ?
Ag1 O2A C10A O1A 11.9(14) . . . 11 ?
Ag1 O2A C10A C11A -168.2(6) . . . . ?
Ag2 S1 C7 C8 -9.0(4) 3 . . . ?
Ag2 S1 C7 C8 106.1(4) 11 . . . ?
Ag2 S1 C7 C9 122.5(3) 3 . . . ?
Ag2 S1 C7 C9 -122.4(3) 11 . . . ?
Ag2 N1 C1 C2 -173.1(4) . . . . ?
Ag2 N1 C5 C4 172.0(3) . . . . ?
Ag2 N1 C5 C6 -7.8(5) . . . . ?
O1 C10 C11 F1 -169.8(17) 11 . . . ?
O1 C10 C11 F2 67.8(19) 11 . . . ?
O1 C10 C11 F3 -51.0(18) 11 . . . ?
O2 C10 C11 F1 9(2) . . . . ?
O2 C10 C11 F2 -113.3(18) . . . . ?
O2 C10 C11 F3 127.9(18) . . . . ?
N1 C1 C2 C3 0.2(8) . . . . ?
C1 N1 C5 C4 -0.9(6) . . . . ?
C1 N1 C5 C6 179.3(4) . . . . ?
C1 C2 C3 C4 -0.8(8) . . . . ?
C2 C3 C4 C5 0.5(7) . . . . ?
C2 C3 C4 C12 -178.7(5) . . . . ?
C3 C4 C5 N1 0.4(6) . . . . ?
C3 C4 C5 C6 -179.9(4) . . . . ?
C5 N1 C1 C2 0.6(7) . . . . ?
C12 C4 C5 N1 179.5(4) . . . . ?
C12 C4 C5 C6 -0.7(7) . . . . ?
O1A C10A C11A F1A -162.4(10) 11 . . . ?
O1A C10A C11A F2A 81.6(13) 11 . . . ?
O1A C10A C11A F3A -43.1(13) 11 . . . ?
O2A C10A C11A F1A 17.7(12) . . . . ?
O2A C10A C11A F2A -98.3(11) . . . . ?
O2A C10A C11A F3A 136.9(10) . . . . ?
