# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_hy
_database_code_depnum_ccdc_archive 'CCDC 1942249'
_audit_update_record             
;
2019-12-21 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT342_hy                  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.048 Ang.  
RESPONSE: The low bond precision on C-C bonds was caused by
the disorder, which was involved in tert_Butyl group in this structure.
;
_vrf_PLAT930_hy                  
;
PROBLEM: FCF-based   Twin Law ( 0 1 1)[ 0 1 1] Est.d BASF       0.30 Check 
RESPONSE: The most probable twin law has been used in the refinement.
;
# end Validation Reply Form
_audit_creation_date             2019-12-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H18 Ag3 F2 O2 S2'
_chemical_formula_sum            'C12 H18 Ag3 F2 O2 S2'
_chemical_formula_weight         619.99
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C N O Ag S F'
_chemical_oxdiff_usercomment     'C H O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           24
_space_group_name_H-M_alt        'I 21 21 21'
_space_group_name_Hall           'I 2b 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'

_cell_length_a                   11.3195(7)
_cell_length_b                   22.5808(11)
_cell_length_c                   23.2576(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5944.7(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3313
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      69.2390
_cell_measurement_theta_min      3.9050
_shelx_estimated_absorpt_T_max   0.426
_shelx_estimated_absorpt_T_min   0.233
_exptl_absorpt_coefficient_mu    17.122
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38971
_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_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0961
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9730
_diffrn_reflns_point_group_measured_fraction_full 0.895
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.815
_diffrn_reflns_theta_min         2.727
_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 0.997
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     12.00  54.00   0.50    0.81    --    0.00  38.00-120.00   84
  2  ω    -22.00  77.00   0.50    0.81    --    0.00  57.00 120.00  198
  3  ω     79.00 124.00   0.50    8.00    --   95.20 -77.00   0.00   90
  4  ω    103.00 166.00   0.50    8.00    --   95.20  61.00  60.00  126
  5  ω      8.00 115.00   0.50    8.00    --   95.20 -61.00   0.00  214
  6  ω     88.00 171.00   0.50    8.00    --   95.20  30.00 -30.00  166
  7  ω     94.00 119.00   0.50    8.00    --   95.20 -77.00-180.00   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      -0.0212046000
_diffrn_orient_matrix_UB_12      0.0083200000
_diffrn_orient_matrix_UB_13      0.0649703000
_diffrn_orient_matrix_UB_21      0.0457114000
_diffrn_orient_matrix_UB_22      -0.0631750000
_diffrn_orient_matrix_UB_23      0.0112516000
_diffrn_orient_matrix_UB_31      0.1264223000
_diffrn_orient_matrix_UB_32      0.0242561000
_diffrn_orient_matrix_UB_33      0.0067677000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.587
_reflns_Friedel_fraction_full    0.768
_reflns_Friedel_fraction_max     0.695
_reflns_number_gt                3392
_reflns_number_total             5168
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.949
_refine_diff_density_min         -1.530
_refine_diff_density_rms         0.324
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.26(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         5168
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.1185
_refine_ls_restrained_S_all      1.087
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3038
_refine_ls_wR_factor_ref         0.3189
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.74(6)
 0.26(6)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 O2-C9 \\sim O1-C9
 with sigma of 0.01
 C4-C1 \\sim C2-C1 \\sim C3-C1
 with sigma of 0.01
 C4-C3 \\sim C3-C2
 with sigma of 0.01
 C3-C2 \\sim C2-C4
 with sigma of 0.01
 C6-C5 \\sim C7-C5 \\sim C8-C5
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(F2) \\sim
Ueq, Uanis(F1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
5. Rigid body (RIGU) restrains
 C9, C10, C12, F2, C11, F1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C1, C4, C2, C3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C8, C7, C5, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.3877(2) 0.79873(9) 0.54743(9) 0.0720(6) Uani 1 1 d . . . A 1
Ag2 Ag 0.2280(3) 0.65738(10) 0.56170(10) 0.0812(7) Uani 1 1 d . . . . .
Ag3 Ag -0.0359(3) 0.68045(11) 0.57563(11) 0.0907(9) Uani 1 1 d . . . . .
S1 S 0.5548(6) 0.8573(3) 0.5181(3) 0.0660(16) Uani 1 1 d . . . . .
S2 S 0.2185(6) 0.7632(3) 0.5958(3) 0.0615(15) Uani 1 1 d . . . . .
F1 F 0.103(3) 0.6158(12) 0.7750(13) 0.140(8) Uani 1 1 d . U . . .
F2 F 0.088(4) 0.4599(14) 0.6413(14) 0.149(9) Uani 1 1 d . U . . .
O1 O 0.197(2) 0.5874(9) 0.6295(10) 0.083(6) Uani 1 1 d D . . . .
O2 O 0.0136(18) 0.6197(12) 0.6515(10) 0.089(7) Uani 1 1 d D . . . .
C1 C 0.498(2) 0.9377(16) 0.5225(11) 0.102(8) Uani 1 1 d D U . . .
C2 C 0.440(3) 0.9417(12) 0.5800(15) 0.096(7) Uani 1 1 d D U . . .
H2A H 0.390902 0.907463 0.585868 0.144 Uiso 1 1 calc GR . . . .
H2B H 0.391874 0.976746 0.581576 0.144 Uiso 1 1 calc GR . . . .
H2C H 0.498916 0.943422 0.609550 0.144 Uiso 1 1 calc GR . . . .
C3 C 0.608(3) 0.9747(15) 0.5173(15) 0.102(9) Uani 1 1 d D U . . .
H3A H 0.659295 0.966670 0.549140 0.152 Uiso 1 1 calc GR . . . .
H3B H 0.586665 1.015912 0.517389 0.152 Uiso 1 1 calc GR . . . .
H3C H 0.647603 0.965342 0.481988 0.152 Uiso 1 1 calc GR . . . .
C4 C 0.416(3) 0.944(2) 0.4727(16) 0.116(10) Uani 1 1 d D U . . .
H4A H 0.446513 0.973055 0.446335 0.174 Uiso 1 1 calc GR . . . .
H4B H 0.339741 0.957023 0.486343 0.174 Uiso 1 1 calc GR . . . .
H4C H 0.407540 0.906842 0.453467 0.174 Uiso 1 1 calc GR . . . .
C5 C 0.2606(19) 0.7652(10) 0.6684(14) 0.078(6) Uani 1 1 d D U . . .
C6 C 0.151(3) 0.7517(19) 0.7074(17) 0.098(10) Uani 1 1 d D U . . .
H6A H 0.089205 0.779644 0.699156 0.147 Uiso 1 1 calc GR . . . .
H6B H 0.173167 0.754861 0.747058 0.147 Uiso 1 1 calc GR . . . .
H6C H 0.122965 0.712315 0.699728 0.147 Uiso 1 1 calc GR . . . .
C7 C 0.312(4) 0.8275(14) 0.6849(13) 0.088(7) Uani 1 1 d D U . . .
H7A H 0.378012 0.836530 0.660388 0.132 Uiso 1 1 calc GR . . . .
H7B H 0.338097 0.826820 0.724240 0.132 Uiso 1 1 calc GR . . . .
H7C H 0.252227 0.857115 0.680290 0.132 Uiso 1 1 calc GR . . . .
C8 C 0.3505(19) 0.7157(13) 0.6871(14) 0.068(6) Uani 1 1 d D U . . .
H8A H 0.349661 0.684208 0.659454 0.103 Uiso 1 1 calc GR . . . .
H8B H 0.328303 0.700529 0.724140 0.103 Uiso 1 1 calc GR . . . .
H8C H 0.428522 0.732289 0.689306 0.103 Uiso 1 1 calc GR . . . .
C9 C 0.099(2) 0.5828(17) 0.6570(17) 0.098(8) Uani 1 1 d D U . . .
C10 C 0.102(3) 0.5391(18) 0.7046(17) 0.089(6) Uani 1 1 d . U . . .
C11 C 0.101(8) 0.556(2) 0.758(2) 0.16(2) Uani 1 1 d . U . . .
C12 C 0.100(5) 0.485(2) 0.6951(19) 0.112(11) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 3.363(5) 6_564 ?
Ag1 Ag3 3.027(3) 4_566 ?
Ag1 S1 2.407(7) . ?
Ag1 S2 2.362(7) . ?
Ag2 Ag2 2.913(5) 7_545 ?
Ag2 Ag3 3.049(4) . ?
Ag2 S1 2.720(7) 4_466 ?
Ag2 S1 2.681(8) 6_564 ?
Ag2 S2 2.519(6) . ?
Ag2 O1 2.26(2) . ?
Ag3 Ag3 3.244(5) 6_464 ?
Ag3 S1 2.555(8) 4_466 ?
Ag3 S2 2.473(7) 6_464 ?
Ag3 O2 2.30(2) . ?
S1 C1 1.93(4) . ?
S2 C5 1.75(3) . ?
F1 C11 1.42(6) . ?
F2 C12 1.38(5) . ?
O1 C9 1.29(2) . ?
O2 C9 1.29(2) . ?
C1 C2 1.50(3) . ?
C1 C3 1.50(3) . ?
C1 C4 1.50(3) . ?
C5 C6 1.57(2) . ?
C5 C7 1.57(2) . ?
C5 C8 1.57(2) . ?
C9 C10 1.48(5) . ?
C10 C11 1.29(6) . ?
C10 C12 1.23(6) . ?
C11 C12 1.44(6) 8_456 ?

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 Ag1 Ag1 83.42(8) 4_566 6_564 ?
S1 Ag1 Ag1 76.43(17) . 6_564 ?
S1 Ag1 Ag3 54.7(2) . 4_566 ?
S2 Ag1 Ag1 112.99(17) . 6_564 ?
S2 Ag1 Ag3 137.33(19) . 4_566 ?
S2 Ag1 S1 163.6(3) . . ?
Ag2 Ag2 Ag3 105.79(14) 7_545 . ?
S1 Ag2 Ag2 58.00(18) 6_564 7_545 ?
S1 Ag2 Ag2 56.72(18) 4_466 7_545 ?
S1 Ag2 Ag3 52.19(17) 4_466 . ?
S1 Ag2 Ag3 163.71(19) 6_564 . ?
S1 Ag2 S1 112.83(19) 6_564 4_466 ?
S2 Ag2 Ag2 108.53(16) . 7_545 ?
S2 Ag2 Ag3 76.27(19) . . ?
S2 Ag2 S1 107.4(2) . 4_466 ?
S2 Ag2 S1 106.0(2) . 6_564 ?
O1 Ag2 Ag2 135.5(6) . 7_545 ?
O1 Ag2 Ag3 84.0(6) . . ?
O1 Ag2 S1 108.5(6) . 6_564 ?
O1 Ag2 S1 106.3(6) . 4_466 ?
O1 Ag2 S2 115.9(6) . . ?
Ag1 Ag3 Ag2 101.90(10) 4_466 . ?
Ag1 Ag3 Ag3 85.48(6) 4_466 6_464 ?
Ag2 Ag3 Ag3 85.42(13) . 6_464 ?
S1 Ag3 Ag1 50.23(16) 4_466 4_466 ?
S1 Ag3 Ag2 57.24(17) 4_466 . ?
S1 Ag3 Ag3 102.86(17) 4_466 6_464 ?
S2 Ag3 Ag1 81.99(18) 6_464 4_466 ?
S2 Ag3 Ag2 157.97(19) 6_464 . ?
S2 Ag3 Ag3 73.19(17) 6_464 6_464 ?
S2 Ag3 S1 132.0(2) 6_464 4_466 ?
O2 Ag3 Ag1 152.4(7) . 4_466 ?
O2 Ag3 Ag2 75.0(5) . . ?
O2 Ag3 Ag3 121.0(7) . 6_464 ?
O2 Ag3 S1 110.9(6) . 4_466 ?
O2 Ag3 S2 111.4(5) . 6_464 ?
Ag1 S1 Ag2 133.9(3) . 4_566 ?
Ag1 S1 Ag2 123.0(3) . 6_564 ?
Ag1 S1 Ag3 75.1(2) . 4_566 ?
Ag2 S1 Ag2 65.28(17) 6_564 4_566 ?
Ag3 S1 Ag2 70.6(2) 4_566 4_566 ?
Ag3 S1 Ag2 130.5(3) 4_566 6_564 ?
C1 S1 Ag1 104.0(8) . . ?
C1 S1 Ag2 113.6(8) . 6_564 ?
C1 S1 Ag2 113.0(8) . 4_566 ?
C1 S1 Ag3 103.1(8) . 4_566 ?
Ag1 S2 Ag2 97.9(2) . . ?
Ag1 S2 Ag3 114.3(3) . 6_464 ?
Ag3 S2 Ag2 117.6(3) 6_464 . ?
C5 S2 Ag1 103.3(8) . . ?
C5 S2 Ag2 108.4(8) . . ?
C5 S2 Ag3 113.4(7) . 6_464 ?
C9 O1 Ag2 122(2) . . ?
C9 O2 Ag3 130(2) . . ?
C2 C1 S1 105(2) . . ?
C2 C1 C3 113.9(15) . . ?
C2 C1 C4 114.2(15) . . ?
C3 C1 S1 104(2) . . ?
C4 C1 S1 105(3) . . ?
C4 C1 C3 113.5(15) . . ?
C6 C5 S2 110(2) . . ?
C6 C5 C7 109(3) . . ?
C6 C5 C8 102(2) . . ?
C7 C5 S2 111.1(18) . . ?
C7 C5 C8 109(2) . . ?
C8 C5 S2 115.1(19) . . ?
O1 C9 C10 114(3) . . ?
O2 C9 O1 123(3) . . ?
O2 C9 C10 122(3) . . ?
C11 C10 C9 121(4) . . ?
C12 C10 C9 121(4) . . ?
C12 C10 C11 117(4) . . ?
F1 C11 C12 114(4) . 8_456 ?
C10 C11 F1 123(4) . . ?
C10 C11 C12 123(4) . 8_456 ?
F2 C12 C11 115(4) . 8_456 ?
C10 C12 F2 125(4) . . ?
C10 C12 C11 120(5) . 8_456 ?

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 S2 C5 C6 171.6(18) . . . . ?
Ag1 S2 C5 C7 51(2) . . . . ?
Ag1 S2 C5 C8 -73.6(17) . . . . ?
Ag2 S2 C5 C6 -85.2(19) . . . . ?
Ag2 S2 C5 C7 154.1(18) . . . . ?
Ag2 S2 C5 C8 29.5(19) . . . . ?
Ag2 O1 C9 O2 -5(5) . . . . ?
Ag2 O1 C9 C10 -173(2) . . . . ?
Ag3 S2 C5 C6 47(2) 6_464 . . . ?
Ag3 S2 C5 C7 -73(2) 6_464 . . . ?
Ag3 S2 C5 C8 162.1(14) 6_464 . . . ?
Ag3 O2 C9 O1 26(6) . . . . ?
Ag3 O2 C9 C10 -168(3) . . . . ?
O1 C9 C10 C11 109(6) . . . . ?
O1 C9 C10 C12 -75(6) . . . . ?
O2 C9 C10 C11 -59(7) . . . . ?
O2 C9 C10 C12 117(5) . . . . ?
C9 C10 C11 F1 -4(11) . . . . ?
C9 C10 C11 C12 178(5) . . . 8_456 ?
C9 C10 C12 F2 -4(8) . . . . ?
C9 C10 C12 C11 -179(5) . . . 8_456 ?
C11 C10 C12 F2 172(6) . . . . ?
C11 C10 C12 C11 -3(7) . . . 8_456 ?
C12 C10 C11 F1 180(6) . . . . ?
C12 C10 C11 C12 2(10) . . . 8_456 ?

_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 -0.823 -0.722 -0.878 3043.1 818.3 ?


_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 2.110
_oxdiff_exptl_absorpt_empirical_full_min 0.562
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.74(6)
2 0.26(6)

