# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_aaa
_database_code_depnum_ccdc_archive 'CCDC 2290290'
loop_
_audit_author_name
_audit_author_address
'Eunji Lee'
;Gangneung Wonju National University
South Korea
;
_audit_update_record             
;
2023-10-06 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H46 Ag3 N2 S8, 3(F6 P), 2(C H2 Cl2)'
_chemical_formula_sum            'C40 H50 Ag3 Cl4 F18 N2 P3 S8'
_chemical_formula_weight         1715.62

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'

_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. 
;

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

_cell_length_a                   10.9437(2)
_cell_length_b                   21.7335(3)
_cell_length_c                   25.2207(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5998.62(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8281
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      26.88

_exptl_crystal_description       Needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_F_000             3392
_exptl_transmission_factor_min   0.6416
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.596
_shelx_estimated_absorpt_T_min   0.621
_shelx_estimated_absorpt_T_max   0.883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50306
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.615
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6041
_reflns_number_gt                4994
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0545P)²+80.0465P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6041
_refine_ls_number_parameters     406
_refine_ls_number_restraints     113
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0608
_refine_ls_wR_factor_ref         0.1647
_refine_ls_wR_factor_gt          0.1562
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.34593(5) 0.03070(3) 0.49317(2) 0.03477(17) Uani 1 1 d . . . . .
Ag2 Ag 0.51668(8) 0.2500 0.5000 0.0359(2) Uani 1 2 d S T P . .
N1 N 0.2002(5) 0.0521(3) 0.4283(2) 0.0251(12) Uani 1 1 d . . . . .
S1 S 0.34098(16) -0.07378(8) 0.43424(7) 0.0294(4) Uani 1 1 d . . . . .
S2 S 0.38550(15) 0.14987(8) 0.46843(7) 0.0260(4) Uani 1 1 d . . . . .
S3 S 0.55580(18) 0.26792(8) 0.40364(7) 0.0310(4) Uani 1 1 d . . . . .
S4 S 0.60788(15) -0.00066(7) 0.41492(6) 0.0236(3) Uani 1 1 d . . . . .
C1 C 0.1173(7) 0.1259(4) 0.3686(3) 0.0374(17) Uani 1 1 d . . . . .
H1A H 0.1033 0.1678 0.3596 0.045 Uiso 1 1 calc R U . . .
C2 C 0.0766(8) 0.0797(4) 0.3361(3) 0.048(2) Uani 1 1 d . . . . .
H2A H 0.0336 0.0893 0.3045 0.057 Uiso 1 1 calc R U . . .
C3 C 0.0984(7) 0.0194(4) 0.3496(3) 0.0424(19) Uani 1 1 d . . . . .
H3A H 0.0714 -0.0133 0.3275 0.051 Uiso 1 1 calc R U . . .
C4 C 0.1613(6) 0.0074(3) 0.3967(3) 0.0300(15) Uani 1 1 d . . . . .
C5 C 0.1861(7) -0.0584(3) 0.4131(3) 0.0370(17) Uani 1 1 d . . . . .
H5A H 0.1666 -0.0857 0.3829 0.044 Uiso 1 1 calc R U . . .
H5B H 0.1300 -0.0691 0.4425 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4162(6) -0.0644(3) 0.3706(3) 0.0286(15) Uani 1 1 d . . . . .
H6A H 0.3896 -0.0976 0.3463 0.034 Uiso 1 1 calc R U . . .
H6B H 0.3919 -0.0246 0.3548 0.034 Uiso 1 1 calc R U . . .
C7 C 0.5542(6) -0.0664(3) 0.3764(3) 0.0290(15) Uani 1 1 d . . . . .
H7A H 0.5926 -0.0659 0.3409 0.035 Uiso 1 1 calc R U . . .
H7B H 0.5783 -0.1051 0.3944 0.035 Uiso 1 1 calc R U . . .
C8 C 0.7520(6) 0.0183(3) 0.3814(3) 0.0296(15) Uani 1 1 d . . . . .
H8A H 0.8153 -0.0127 0.3898 0.035 Uiso 1 1 calc R U . . .
H8B H 0.7402 0.0194 0.3425 0.035 Uiso 1 1 calc R U . . .
C9 C 0.7898(6) 0.0807(3) 0.4016(3) 0.0268(14) Uani 1 1 d . . . . .
C10 C 0.8627(6) 0.0866(4) 0.4455(3) 0.0355(17) Uani 1 1 d . . . . .
H10A H 0.8944 0.0508 0.4622 0.043 Uiso 1 1 calc R U . . .
C11 C 0.8906(7) 0.1443(4) 0.4660(3) 0.0402(19) Uani 1 1 d . . . . .
H11A H 0.9440 0.1480 0.4955 0.048 Uiso 1 1 calc R U . . .
C12 C 0.8401(6) 0.1962(4) 0.4431(3) 0.0353(17) Uani 1 1 d . . . . .
H12A H 0.8573 0.2355 0.4578 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7646(6) 0.1918(3) 0.3989(3) 0.0295(15) Uani 1 1 d . . . . .
C14 C 0.7433(6) 0.1331(3) 0.3775(3) 0.0223(13) Uani 1 1 d . . . . .
H14A H 0.6964 0.1292 0.3460 0.027 Uiso 1 1 calc R U . . .
C15 C 0.7063(7) 0.2477(3) 0.3764(3) 0.0356(17) Uani 1 1 d . . . . .
H15A H 0.6976 0.2418 0.3377 0.043 Uiso 1 1 calc R U . . .
H15B H 0.7620 0.2830 0.3820 0.043 Uiso 1 1 calc R U . . .
C16 C 0.4568(7) 0.2105(3) 0.3749(3) 0.0313(15) Uani 1 1 d . . . . .
H16A H 0.3729 0.2274 0.3738 0.038 Uiso 1 1 calc R U . . .
H16B H 0.4830 0.2036 0.3378 0.038 Uiso 1 1 calc R U . . .
C17 C 0.4524(6) 0.1477(3) 0.4032(3) 0.0301(15) Uani 1 1 d . . . . .
H17A H 0.5367 0.1315 0.4062 0.036 Uiso 1 1 calc R U . . .
H17B H 0.4051 0.1186 0.3811 0.036 Uiso 1 1 calc R U . . .
C18 C 0.2239(6) 0.1602(3) 0.4521(3) 0.0289(15) Uani 1 1 d . . . . .
H18A H 0.1749 0.1591 0.4851 0.035 Uiso 1 1 calc R U . . .
H18B H 0.2121 0.2010 0.4355 0.035 Uiso 1 1 calc R U . . .
C19 C 0.1791(6) 0.1107(3) 0.4147(3) 0.0258(14) Uani 1 1 d . . . . .
P1 P 0.11943(17) 0.16569(9) 0.60947(8) 0.0308(4) Uani 1 1 d . . . . .
F1 F -0.0129(5) 0.1591(3) 0.6332(3) 0.0723(19) Uani 1 1 d . . . . .
F2 F 0.2521(4) 0.1735(2) 0.5845(2) 0.0480(12) Uani 1 1 d . . . . .
F3 F 0.0959(4) 0.1073(2) 0.57172(19) 0.0448(11) Uani 1 1 d . . . . .
F4 F 0.1442(5) 0.2241(2) 0.6465(2) 0.0478(12) Uani 1 1 d . . . . .
F5 F 0.0676(5) 0.2096(2) 0.5638(2) 0.0531(13) Uani 1 1 d . . . . .
F6 F 0.1743(6) 0.1216(2) 0.65381(19) 0.0594(15) Uani 1 1 d . . . . .
P2A P 0.4605(7) 0.0646(3) 0.2500 0.0356(16) Uani 0.694(14) 2 d S TU P A 1
F21 F 0.425(2) -0.0046(7) 0.2500 0.089(5) Uani 0.694(14) 2 d S TU P A 1
F22 F 0.495(2) 0.1343(7) 0.2500 0.101(5) Uani 0.694(14) 2 d S TU P A 1
F23 F 0.5501(13) 0.0554(6) 0.2033(5) 0.103(5) Uani 0.694(14) 1 d . U P A 1
F24 F 0.3649(11) 0.0744(6) 0.2951(4) 0.101(4) Uani 0.694(14) 1 d . U P A 1
P2B P 0.5040(16) 0.0621(7) 0.2500 0.058(5) Uani 0.306(14) 2 d DS TU P A 2
F31 F 0.552(2) 0.1317(8) 0.2500 0.077(6) Uani 0.306(14) 2 d DS TU P A 2
F33 F 0.5024(18) 0.0624(8) 0.1862(4) 0.073(6) Uani 0.306(14) 1 d D U P A 2
F32 F 0.466(3) -0.0088(8) 0.2500 0.077(6) Uani 0.306(14) 2 d DS TU P A 2
F34 F 0.6406(19) 0.0369(12) 0.2500 0.090(7) Uani 0.306(14) 2 d DS TU P A 2
F35 F 0.3664(18) 0.0835(12) 0.2500 0.090(7) Uani 0.306(14) 2 d DS TU P A 2
C20 C 0.9366(19) 0.2116(11) 0.7500 0.108(7) Uani 1 2 d S T P . .
H20A H 0.9881 0.2049 0.7818 0.130 Uiso 0.5 1 calc R U P . .
H20B H 0.9881 0.2049 0.7182 0.130 Uiso 0.5 1 calc R U P . .
Cl1 Cl 0.8129(6) 0.1573(4) 0.7500 0.123(2) Uani 1 2 d S T P . .
Cl2 Cl 0.8819(7) 0.2879(4) 0.7500 0.129(2) Uani 1 2 d S T P . .
Cl3 Cl 0.2861(8) 0.2265(4) 0.2500 0.132(2) Uani 1 2 d S T P . .
Cl4 Cl 0.4803(9) 0.3170(4) 0.2500 0.157(3) Uani 1 2 d S T P . .
C21 C 0.323(4) 0.3108(15) 0.2500 0.37(5) Uani 1 2 d S T P . .
H21A H 0.2878 0.3308 0.2181 0.440 Uiso 0.5 1 calc R U P . .
H21B H 0.2878 0.3308 0.2819 0.440 Uiso 0.5 1 calc R U P . .


_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 2.332(6) . ?
Ag1 S4 2.4605(17) 5_656 ?
Ag1 S2 2.6990(18) . ?
Ag1 S1 2.7145(19) . ?
Ag2 S3 2.4983(18) . ?
Ag2 S3 2.4984(18) 4_556 ?
Ag2 S2 2.7260(17) . ?
Ag2 S2 2.7260(17) 4_556 ?
N1 C4 1.327(9) . ?
N1 C19 1.339(9) . ?
S1 C5 1.807(8) . ?
S1 C6 1.816(7) . ?
S2 C17 1.801(7) . ?
S2 C18 1.830(7) . ?
S3 C16 1.804(7) . ?
S3 C15 1.838(7) . ?
S4 C7 1.825(7) . ?
S4 C8 1.837(7) . ?
S4 Ag1 2.4606(17) 5_656 ?
C1 C2 1.369(12) . ?
C1 C19 1.386(10) . ?
C2 C3 1.376(12) . ?
C3 C4 1.396(11) . ?
C4 C5 1.513(11) . ?
C6 C7 1.517(9) . ?
C8 C9 1.507(9) . ?
C9 C10 1.371(10) . ?
C9 C14 1.386(9) . ?
C10 C11 1.390(11) . ?
C11 C12 1.383(12) . ?
C12 C13 1.391(10) . ?
C13 C14 1.406(9) . ?
C13 C15 1.485(11) . ?
C16 C17 1.542(10) . ?
C18 C19 1.512(10) . ?
P1 F1 1.574(5) . ?
P1 F6 1.591(5) . ?
P1 F2 1.591(5) . ?
P1 F4 1.599(5) . ?
P1 F5 1.600(5) . ?
P1 F3 1.607(5) . ?
P2A F23 1.546(12) 6_556 ?
P2A F23 1.546(12) . ?
P2A F21 1.553(14) . ?
P2A F24 1.560(11) . ?
P2A F24 1.560(11) 6_556 ?
P2A F22 1.560(15) . ?
P2B F35 1.576(10) . ?
P2B F34 1.592(10) . ?
P2B F32 1.596(10) . ?
P2B F31 1.598(10) . ?
P2B F33 1.610(9) 6_556 ?
P2B F33 1.610(9) . ?
C20 Cl2 1.76(3) . ?
C20 Cl1 1.80(2) . ?
Cl3 C21 1.87(3) . ?
Cl4 C21 1.73(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
N1 Ag1 S4 148.73(14) . 5_656 ?
N1 Ag1 S2 75.87(14) . . ?
S4 Ag1 S2 116.07(6) 5_656 . ?
N1 Ag1 S1 76.64(14) . . ?
S4 Ag1 S1 107.34(6) 5_656 . ?
S2 Ag1 S1 132.79(6) . . ?
S3 Ag2 S3 160.27(10) . 4_556 ?
S3 Ag2 S2 86.02(5) . . ?
S3 Ag2 S2 104.48(5) 4_556 . ?
S3 Ag2 S2 104.47(5) . 4_556 ?
S3 Ag2 S2 86.02(5) 4_556 4_556 ?
S2 Ag2 S2 116.44(8) . 4_556 ?
C4 N1 C19 119.2(6) . . ?
C4 N1 Ag1 119.6(5) . . ?
C19 N1 Ag1 119.1(4) . . ?
C5 S1 C6 98.3(4) . . ?
C5 S1 Ag1 91.4(3) . . ?
C6 S1 Ag1 112.4(2) . . ?
C17 S2 C18 101.0(3) . . ?
C17 S2 Ag1 104.5(2) . . ?
C18 S2 Ag1 90.8(2) . . ?
C17 S2 Ag2 94.2(2) . . ?
C18 S2 Ag2 118.5(2) . . ?
Ag1 S2 Ag2 141.54(7) . . ?
C16 S3 C15 102.8(3) . . ?
C16 S3 Ag2 100.4(2) . . ?
C15 S3 Ag2 118.7(3) . . ?
C7 S4 C8 102.0(3) . . ?
C7 S4 Ag1 111.1(2) . 5_656 ?
C8 S4 Ag1 108.5(3) . 5_656 ?
C2 C1 C19 119.1(8) . . ?
C1 C2 C3 119.6(8) . . ?
C2 C3 C4 118.3(8) . . ?
N1 C4 C3 122.1(7) . . ?
N1 C4 C5 118.0(7) . . ?
C3 C4 C5 119.9(7) . . ?
C4 C5 S1 115.1(5) . . ?
C7 C6 S1 111.2(5) . . ?
C6 C7 S4 110.5(5) . . ?
C9 C8 S4 106.4(5) . . ?
C10 C9 C14 119.4(7) . . ?
C10 C9 C8 121.1(7) . . ?
C14 C9 C8 119.3(6) . . ?
C9 C10 C11 120.8(7) . . ?
C12 C11 C10 119.6(7) . . ?
C11 C12 C13 121.0(7) . . ?
C12 C13 C14 118.0(7) . . ?
C12 C13 C15 120.4(7) . . ?
C14 C13 C15 121.6(7) . . ?
C9 C14 C13 121.0(6) . . ?
C13 C15 S3 115.9(5) . . ?
C17 C16 S3 116.4(5) . . ?
C16 C17 S2 114.4(5) . . ?
C19 C18 S2 111.5(5) . . ?
N1 C19 C1 121.6(7) . . ?
N1 C19 C18 117.5(6) . . ?
C1 C19 C18 120.9(7) . . ?
F1 P1 F6 91.4(4) . . ?
F1 P1 F2 178.7(4) . . ?
F6 P1 F2 89.9(3) . . ?
F1 P1 F4 90.4(3) . . ?
F6 P1 F4 90.2(3) . . ?
F2 P1 F4 89.6(3) . . ?
F1 P1 F5 90.1(4) . . ?
F6 P1 F5 178.3(3) . . ?
F2 P1 F5 88.6(3) . . ?
F4 P1 F5 90.4(3) . . ?
F1 P1 F3 90.3(3) . . ?
F6 P1 F3 90.1(3) . . ?
F2 P1 F3 89.8(3) . . ?
F4 P1 F3 179.3(3) . . ?
F5 P1 F3 89.3(3) . . ?
F23 P2A F23 99.4(14) 6_556 . ?
F23 P2A F21 91.8(7) 6_556 . ?
F23 P2A F21 91.8(7) . . ?
F23 P2A F24 83.5(7) 6_556 . ?
F23 P2A F24 177.1(10) . . ?
F21 P2A F24 88.1(8) . . ?
F23 P2A F24 177.1(10) 6_556 6_556 ?
F23 P2A F24 83.5(7) . 6_556 ?
F21 P2A F24 88.1(8) . 6_556 ?
F24 P2A F24 93.6(11) . 6_556 ?
F23 P2A F22 88.4(7) 6_556 . ?
F23 P2A F22 88.4(7) . . ?
F21 P2A F22 179.6(13) . . ?
F24 P2A F22 91.6(8) . . ?
F24 P2A F22 91.6(8) 6_556 . ?
F35 P2B F34 177.0(11) . . ?
F35 P2B F32 92.2(7) . . ?
F34 P2B F32 84.8(14) . . ?
F35 P2B F31 91.9(6) . . ?
F34 P2B F31 91.1(7) . . ?
F32 P2B F31 175.9(11) . . ?
F35 P2B F33 89.3(6) . 6_556 ?
F34 P2B F33 90.7(6) . 6_556 ?
F32 P2B F33 90.1(4) . 6_556 ?
F31 P2B F33 90.0(4) . 6_556 ?
F35 P2B F33 89.3(6) . . ?
F34 P2B F33 90.7(6) . . ?
F32 P2B F33 90.1(4) . . ?
F31 P2B F33 90.0(4) . . ?
F33 P2B F33 178.7(12) 6_556 . ?
Cl2 C20 Cl1 111.2(12) . . ?
Cl4 C21 Cl3 107(2) . . ?

_refine_diff_density_max         1.591
_refine_diff_density_min         -2.029
_refine_diff_density_rms         0.163

####################################################################### 
# 
# 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_aaa_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2290292'
loop_
_audit_author_name
_audit_author_address
'Eunji Lee'
;Gangneung Wonju National University
South Korea
;
_audit_update_record             
;
2023-08-23 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H23 Ag2 F3 N O2 S4, C2 F3 O2, 2(C H4 O)'
_chemical_formula_sum            'C25 H31 Ag2 F6 N O6 S4'
_chemical_formula_weight         899.49

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'
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'
F F 0.0171 0.0103 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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. 
;

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

_cell_length_a                   11.5778(7)
_cell_length_b                   12.0547(7)
_cell_length_c                   12.4212(8)
_cell_angle_alpha                90
_cell_angle_beta                 111.230(4)
_cell_angle_gamma                90
_cell_volume                     1615.94(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3982
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      28.07

_exptl_crystal_description       Needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_F_000             896
_exptl_transmission_factor_min   0.5686
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.544
_shelx_estimated_absorpt_T_min   0.654
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9402
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.759
_diffrn_reflns_theta_max         25.987
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5811
_reflns_number_gt                5456
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.904
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0191P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.16(3)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         5811
_refine_ls_number_parameters     426
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0320
_refine_ls_wR_factor_ref         0.0675
_refine_ls_wR_factor_gt          0.0659
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 -0.49801(4) -0.40045(4) -0.76799(4) 0.02997(13) Uani 1 1 d . . . . .
Ag2 Ag -0.50688(4) -0.32625(4) -1.11671(4) 0.03113(13) Uani 1 1 d . . . . .
N1 N -0.2840(4) -0.4515(4) -0.7502(4) 0.0253(12) Uani 1 1 d . . . . .
S1 S -0.46696(14) -0.64683(13) -0.76295(14) 0.0254(3) Uani 1 1 d . . . . .
S2 S -0.44231(12) -0.26642(13) -0.89676(13) 0.0215(3) Uani 1 1 d . . . . .
S3 S -0.64925(13) 0.03429(14) -0.87910(13) 0.0252(3) Uani 1 1 d . . . . .
S4 S -0.65612(13) -0.46911(14) -0.69430(13) 0.0243(3) Uani 1 1 d . . . . .
C1 C -0.1243(6) -0.4185(7) -0.8241(6) 0.0374(18) Uani 1 1 d . . . . .
H1A H -0.0852 -0.3697 -0.8605 0.045 Uiso 1 1 calc R U . . .
C2 C -0.0796(7) -0.5243(7) -0.7931(8) 0.052(2) Uani 1 1 d . . . . .
H2A H -0.0089 -0.5492 -0.8079 0.063 Uiso 1 1 calc R U . . .
C3 C -0.1381(6) -0.5942(6) -0.7404(7) 0.0411(18) Uani 1 1 d . . . . .
H3A H -0.1084 -0.6675 -0.7190 0.049 Uiso 1 1 calc R U . . .
C4 C -0.2407(6) -0.5553(6) -0.7194(6) 0.0309(15) Uani 1 1 d . . . . .
C5 C -0.3086(6) -0.6249(6) -0.6622(6) 0.0343(16) Uani 1 1 d . . . . .
H5A H -0.3097 -0.5871 -0.5918 0.041 Uiso 1 1 calc R U . . .
H5B H -0.2661 -0.6971 -0.6392 0.041 Uiso 1 1 calc R U . . .
C6 C -0.5483(6) -0.6763(5) -0.6658(6) 0.0287(14) Uani 1 1 d . . . . .
H6A H -0.6308 -0.7071 -0.7114 0.034 Uiso 1 1 calc R U . . .
H6B H -0.5019 -0.7341 -0.6104 0.034 Uiso 1 1 calc R U . . .
C7 C -0.5658(6) -0.5772(5) -0.5984(5) 0.0284(15) Uani 1 1 d . . . . .
H7A H -0.4837 -0.5472 -0.5503 0.034 Uiso 1 1 calc R U . . .
H7B H -0.6085 -0.6011 -0.5462 0.034 Uiso 1 1 calc R U . . .
C8 C -0.6569(6) -0.3704(5) -0.5836(6) 0.0311(15) Uani 1 1 d . . . . .
H8A H -0.7020 -0.4027 -0.5369 0.037 Uiso 1 1 calc R U . . .
H8B H -0.5707 -0.3553 -0.5315 0.037 Uiso 1 1 calc R U . . .
C9 C -0.7176(5) -0.2642(5) -0.6367(5) 0.0244(13) Uani 1 1 d . . . . .
C10 C -0.8428(6) -0.2485(7) -0.6634(7) 0.0390(18) Uani 1 1 d . . . . .
H10A H -0.8917 -0.3048 -0.6473 0.047 Uiso 1 1 calc R U . . .
C11 C -0.8971(6) -0.1486(7) -0.7142(7) 0.045(2) Uani 1 1 d . . . . .
H11A H -0.9836 -0.1378 -0.7339 0.054 Uiso 1 1 calc R U . . .
C12 C -0.8271(6) -0.0661(6) -0.7361(6) 0.0377(17) Uani 1 1 d . . . . .
H12A H -0.8652 0.0013 -0.7708 0.045 Uiso 1 1 calc R U . . .
C13 C -0.6996(5) -0.0809(5) -0.7075(5) 0.0247(13) Uani 1 1 d . . . . .
C14 C -0.6467(5) -0.1815(5) -0.6599(5) 0.0236(13) Uani 1 1 d . . . . .
H14A H -0.5609 -0.1937 -0.6431 0.028 Uiso 1 1 calc R U . . .
C15 C -0.6213(6) 0.0094(5) -0.7266(5) 0.0253(14) Uani 1 1 d . . . . .
H15A H -0.5330 -0.0099 -0.6864 0.030 Uiso 1 1 calc R U . . .
H15B H -0.6377 0.0788 -0.6918 0.030 Uiso 1 1 calc R U . . .
C16 C -0.6103(5) -0.1002(5) -0.9221(5) 0.0224(13) Uani 1 1 d . . . . .
H16A H -0.6527 -0.1589 -0.8945 0.027 Uiso 1 1 calc R U . . .
H16B H -0.6407 -0.1043 -1.0075 0.027 Uiso 1 1 calc R U . . .
C17 C -0.4707(5) -0.1213(5) -0.8735(6) 0.0253(14) Uani 1 1 d . . . . .
H17A H -0.4368 -0.1042 -0.7899 0.030 Uiso 1 1 calc R U . . .
H17B H -0.4291 -0.0728 -0.9127 0.030 Uiso 1 1 calc R U . . .
C18 C -0.2739(5) -0.2691(6) -0.8249(5) 0.0248(13) Uani 1 1 d . . . . .
H18A H -0.2351 -0.2322 -0.8746 0.030 Uiso 1 1 calc R U . . .
H18B H -0.2501 -0.2274 -0.7514 0.030 Uiso 1 1 calc R U . . .
C19 C -0.2272(5) -0.3848(6) -0.8010(5) 0.0254(14) Uani 1 1 d . . . . .
F1 F -0.0913(4) -0.2514(7) -0.5143(6) 0.113(3) Uani 1 1 d . . . . .
F2 F -0.1066(6) -0.3873(11) -0.4303(11) 0.200(6) Uani 1 1 d . . . . .
F3 F -0.1391(8) -0.2425(14) -0.3683(8) 0.243(8) Uani 1 1 d . . . . .
F4 F -0.8554(6) -0.2822(9) -0.9716(9) 0.112(4) Uani 0.863(13) 1 d . . P A 1
F5 F -0.9132(6) -0.4451(7) -1.0119(10) 0.097(4) Uani 0.863(13) 1 d . . P A 1
F6 F -0.9507(4) -0.3323(8) -1.1448(5) 0.082(3) Uani 0.863(13) 1 d . . P A 1
F4' F -0.897(3) -0.261(3) -1.070(4) 0.041(10) Uani 0.137(13) 1 d . U P A 2
F5' F -0.867(3) -0.384(4) -0.954(3) 0.034(9) Uani 0.137(13) 1 d . U P A 2
F6' F -0.939(4) -0.429(5) -1.114(5) 0.079(16) Uani 0.137(13) 1 d . U P A 2
O1 O -0.3370(4) -0.2223(5) -0.5975(4) 0.0426(13) Uani 1 1 d . . . . .
O2 O -0.3501(5) -0.3821(6) -0.5112(5) 0.0637(17) Uani 1 1 d . . . . .
O3 O -0.7083(4) -0.3168(5) -1.1174(4) 0.0404(12) Uani 1 1 d . . . . .
O4 O -0.6814(4) -0.4649(5) -1.0034(4) 0.0401(12) Uani 1 1 d . . . . .
C20 C -0.2967(6) -0.2993(7) -0.5308(6) 0.0360(18) Uani 1 1 d . . . . .
C21 C -0.1590(7) -0.2944(10) -0.4599(9) 0.068(3) Uani 1 1 d . . . . .
C22 C -0.7383(5) -0.3860(7) -1.0578(6) 0.0316(16) Uani 1 1 d . . . . .
C23 C -0.8634(6) -0.3608(7) -1.0453(7) 0.043(2) Uani 1 1 d . . . . .
O5 O -0.2826(5) -0.0032(6) -0.6215(5) 0.0647(18) Uani 1 1 d . . . . .
H5 H -0.2906 -0.0724 -0.6207 0.097 Uiso 1 1 calc R U . . .
C25 C -0.8484(6) -0.6916(7) -0.9252(7) 0.048(2) Uani 1 1 d . . . . .
H25A H -0.8562 -0.6519 -0.8593 0.072 Uiso 1 1 calc R U . . .
H25B H -0.8568 -0.7715 -0.9154 0.072 Uiso 1 1 calc R U . . .
H25C H -0.9136 -0.6668 -0.9966 0.072 Uiso 1 1 calc R U . . .
O6 O -0.7318(4) -0.6694(4) -0.9314(4) 0.0381(12) Uani 1 1 d . . . . .
H6 H -0.7328 -0.6066 -0.9608 0.057 Uiso 1 1 calc R U . . .
C24 C -0.1674(8) 0.0223(10) -0.6254(10) 0.077(3) Uani 1 1 d . . . . .
H24A H -0.1527 0.1023 -0.6143 0.116 Uiso 1 1 calc R U . . .
H24B H -0.1650 0.0007 -0.7006 0.116 Uiso 1 1 calc R U . . .
H24C H -0.1030 -0.0179 -0.5640 0.116 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 S4 2.4672(15) . ?
Ag1 N1 2.484(5) . ?
Ag1 S2 2.5163(16) . ?
Ag2 O3 2.332(4) . ?
Ag2 S3 2.4828(16) 2_443 ?
Ag2 S1 2.5838(17) 2_453 ?
Ag2 S2 2.6578(15) . ?
N1 C19 1.334(8) . ?
N1 C4 1.350(9) . ?
S1 C6 1.814(6) . ?
S1 C5 1.827(6) . ?
S1 Ag2 2.5838(17) 2_443 ?
S2 C17 1.822(7) . ?
S2 C18 1.827(6) . ?
S3 C16 1.814(6) . ?
S3 C15 1.827(6) . ?
S3 Ag2 2.4829(16) 2_453 ?
S4 C7 1.819(7) . ?
S4 C8 1.821(6) . ?
C1 C2 1.377(11) . ?
C1 C19 1.383(8) . ?
C2 C3 1.385(11) . ?
C3 C4 1.388(9) . ?
C4 C5 1.493(10) . ?
C6 C7 1.513(9) . ?
C8 C9 1.494(9) . ?
C9 C10 1.378(9) . ?
C9 C14 1.386(8) . ?
C10 C11 1.398(11) . ?
C11 C12 1.372(10) . ?
C12 C13 1.399(8) . ?
C13 C14 1.390(9) . ?
C13 C15 1.490(8) . ?
C16 C17 1.528(7) . ?
C18 C19 1.487(9) . ?
F1 C21 1.313(10) . ?
F2 C21 1.263(14) . ?
F3 C21 1.244(14) . ?
F4 C23 1.298(10) . ?
F5 C23 1.308(10) . ?
F6 C23 1.327(9) . ?
F4' C23 1.27(4) . ?
F5' C23 1.19(3) . ?
F6' C23 1.28(5) . ?
O1 C20 1.219(9) . ?
O2 C20 1.244(9) . ?
O3 C22 1.246(8) . ?
O4 C22 1.214(9) . ?
C20 C21 1.519(10) . ?
C22 C23 1.542(9) . ?
O5 C24 1.386(10) . ?
C25 O6 1.405(8) . ?

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
S4 Ag1 N1 137.22(14) . . ?
S4 Ag1 S2 147.84(5) . . ?
N1 Ag1 S2 74.86(13) . . ?
O3 Ag2 S3 140.15(14) . 2_443 ?
O3 Ag2 S1 92.83(14) . 2_453 ?
S3 Ag2 S1 119.24(5) 2_443 2_453 ?
O3 Ag2 S2 84.22(12) . . ?
S3 Ag2 S2 105.63(5) 2_443 . ?
S1 Ag2 S2 107.33(5) 2_453 . ?
C19 N1 C4 119.8(5) . . ?
C19 N1 Ag1 117.1(4) . . ?
C4 N1 Ag1 120.7(4) . . ?
C6 S1 C5 101.9(3) . . ?
C6 S1 Ag2 103.9(2) . 2_443 ?
C5 S1 Ag2 113.3(2) . 2_443 ?
C17 S2 C18 99.3(3) . . ?
C17 S2 Ag1 114.4(2) . . ?
C18 S2 Ag1 98.8(2) . . ?
C17 S2 Ag2 115.1(2) . . ?
C18 S2 Ag2 110.5(2) . . ?
Ag1 S2 Ag2 115.96(6) . . ?
C16 S3 C15 100.9(3) . . ?
C16 S3 Ag2 109.80(19) . 2_453 ?
C15 S3 Ag2 106.0(2) . 2_453 ?
C7 S4 C8 97.6(3) . . ?
C7 S4 Ag1 98.9(2) . . ?
C8 S4 Ag1 105.6(2) . . ?
C2 C1 C19 118.6(7) . . ?
C1 C2 C3 119.8(7) . . ?
C2 C3 C4 118.8(7) . . ?
N1 C4 C3 121.1(7) . . ?
N1 C4 C5 116.7(6) . . ?
C3 C4 C5 122.2(6) . . ?
C4 C5 S1 109.0(5) . . ?
C7 C6 S1 114.8(5) . . ?
C6 C7 S4 111.3(4) . . ?
C9 C8 S4 110.9(4) . . ?
C10 C9 C14 120.1(6) . . ?
C10 C9 C8 120.6(6) . . ?
C14 C9 C8 119.3(5) . . ?
C9 C10 C11 119.2(7) . . ?
C12 C11 C10 120.9(6) . . ?
C11 C12 C13 120.1(7) . . ?
C14 C13 C12 118.8(6) . . ?
C14 C13 C15 120.4(5) . . ?
C12 C13 C15 120.8(6) . . ?
C9 C14 C13 120.8(5) . . ?
C13 C15 S3 113.3(4) . . ?
C17 C16 S3 111.9(4) . . ?
C16 C17 S2 108.8(4) . . ?
C19 C18 S2 111.1(4) . . ?
N1 C19 C1 122.0(6) . . ?
N1 C19 C18 117.0(5) . . ?
C1 C19 C18 120.8(6) . . ?
C22 O3 Ag2 117.3(4) . . ?
O1 C20 O2 130.5(7) . . ?
O1 C20 C21 115.4(7) . . ?
O2 C20 C21 114.2(8) . . ?
F3 C21 F2 105.7(11) . . ?
F3 C21 F1 108.9(10) . . ?
F2 C21 F1 100.7(9) . . ?
F3 C21 C20 111.0(9) . . ?
F2 C21 C20 115.3(10) . . ?
F1 C21 C20 114.4(7) . . ?
O4 C22 O3 130.1(6) . . ?
O4 C22 C23 116.1(6) . . ?
O3 C22 C23 113.7(7) . . ?
F5' C23 F4' 110(2) . . ?
F5' C23 F6' 103(3) . . ?
F4' C23 F6' 112(3) . . ?
F4 C23 F5 105.7(9) . . ?
F4 C23 F6 107.7(8) . . ?
F5 C23 F6 102.9(7) . . ?
F5' C23 C22 114.4(15) . . ?
F4' C23 C22 112.1(15) . . ?
F6' C23 C22 104(2) . . ?
F4 C23 C22 112.6(6) . . ?
F5 C23 C22 114.6(7) . . ?
F6 C23 C22 112.6(7) . . ?

_refine_diff_density_max         0.645
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_aaa_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2290291'
loop_
_audit_author_name
_audit_author_address
'Eunji Lee'
;Gangneung Wonju National University
South Korea
;
_audit_update_record             
;
2023-08-23 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C20 H23 Ag2 F3 N O3 S5), 2(C1.50 H Cl F3 O3 S)'
_chemical_formula_sum            'C43 H48 Ag4 Cl2 F12 N2 O12 S12'
_chemical_formula_weight         1899.93

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'
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'
F F 0.0171 0.0103 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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

_cell_length_a                   24.3861(9)
_cell_length_b                   10.5716(4)
_cell_length_c                   24.9876(9)
_cell_angle_alpha                90
_cell_angle_beta                 106.300(2)
_cell_angle_gamma                90
_cell_volume                     6182.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8861
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      28.15

_exptl_crystal_description       Block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_F_000             3752
_exptl_transmission_factor_min   0.6733
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.834
_shelx_estimated_absorpt_T_min   0.711
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28572
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.698
_diffrn_reflns_theta_max         25.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6081
_reflns_number_gt                5260
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0444P)²+32.1724P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6081
_refine_ls_number_parameters     452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0970
_refine_ls_wR_factor_gt          0.0921
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.28486(2) 0.02563(3) 0.15437(2) 0.02937(10) Uani 1 1 d . . . . .
Ag2 Ag 0.33485(2) 0.40118(3) 0.24080(2) 0.02741(10) Uani 1 1 d . . . . .
N1 N 0.21769(15) -0.0562(4) 0.07234(13) 0.0278(8) Uani 1 1 d . . . . .
S1 S 0.22427(4) -0.13322(10) 0.19211(4) 0.0216(2) Uani 1 1 d . . . . .
S2 S 0.33674(5) 0.03692(10) 0.06567(4) 0.0302(2) Uani 1 1 d . . . . .
S3 S 0.35427(4) 0.20267(9) 0.18777(4) 0.0218(2) Uani 1 1 d . . . . .
S4 S 0.35501(4) -0.41693(9) 0.18475(4) 0.0216(2) Uani 1 1 d . . . . .
C1 C 0.1973(2) -0.0845(5) -0.02572(18) 0.0388(11) Uani 1 1 d . . . . .
H1A H 0.2020 -0.0578 -0.0605 0.047 Uiso 1 1 calc R U . . .
C2 C 0.1621(2) -0.1855(5) -0.02320(19) 0.0439(12) Uani 1 1 d . . . . .
H2A H 0.1426 -0.2296 -0.0562 0.053 Uiso 1 1 calc R U . . .
C3 C 0.15578(19) -0.2214(5) 0.02744(19) 0.0396(11) Uani 1 1 d . . . . .
H3A H 0.1327 -0.2922 0.0301 0.047 Uiso 1 1 calc R U . . .
C4 C 0.18343(16) -0.1533(4) 0.07469(16) 0.0268(9) Uani 1 1 d . . . . .
C5 C 0.17166(17) -0.1841(5) 0.12902(17) 0.0358(11) Uani 1 1 d . . . . .
H5A H 0.1674 -0.2770 0.1310 0.043 Uiso 1 1 calc R U . . .
H5B H 0.1345 -0.1458 0.1286 0.043 Uiso 1 1 calc R U . . .
C6 C 0.26971(17) -0.2723(4) 0.21037(16) 0.0259(8) Uani 1 1 d . . . . .
H6A H 0.2995 -0.2569 0.2459 0.031 Uiso 1 1 calc R U . . .
H6B H 0.2465 -0.3454 0.2158 0.031 Uiso 1 1 calc R U . . .
C7 C 0.29781(16) -0.3028(4) 0.16513(16) 0.0241(8) Uani 1 1 d . . . . .
H7A H 0.3131 -0.2236 0.1538 0.029 Uiso 1 1 calc R U . . .
H7B H 0.2683 -0.3355 0.1322 0.029 Uiso 1 1 calc R U . . .
C8 C 0.41046(17) -0.3259(4) 0.23402(16) 0.0264(9) Uani 1 1 d . . . . .
H8A H 0.3960 -0.2980 0.2654 0.032 Uiso 1 1 calc R U . . .
H8B H 0.4442 -0.3805 0.2494 0.032 Uiso 1 1 calc R U . . .
C9 C 0.42806(16) -0.2125(4) 0.20697(16) 0.0233(8) Uani 1 1 d . . . . .
C10 C 0.45722(17) -0.2298(4) 0.16707(18) 0.0298(9) Uani 1 1 d . . . . .
H10A H 0.4632 -0.3128 0.1553 0.036 Uiso 1 1 calc R U . . .
C11 C 0.47742(18) -0.1268(4) 0.14465(19) 0.0320(10) Uani 1 1 d . . . . .
H11A H 0.4975 -0.1392 0.1175 0.038 Uiso 1 1 calc R U . . .
C12 C 0.46874(17) -0.0051(4) 0.16138(18) 0.0290(9) Uani 1 1 d . . . . .
H12A H 0.4842 0.0652 0.1469 0.035 Uiso 1 1 calc R U . . .
C13 C 0.43757(16) 0.0138(4) 0.19926(16) 0.0233(8) Uani 1 1 d . . . . .
C14 C 0.41734(16) -0.0905(4) 0.22199(16) 0.0227(8) Uani 1 1 d . . . . .
H14A H 0.3960 -0.0780 0.2480 0.027 Uiso 1 1 calc R U . . .
C15 C 0.42743(16) 0.1448(4) 0.21757(17) 0.0265(9) Uani 1 1 d . . . . .
H15A H 0.4542 0.2037 0.2070 0.032 Uiso 1 1 calc R U . . .
H15B H 0.4363 0.1459 0.2587 0.032 Uiso 1 1 calc R U . . .
C16 C 0.35584(18) 0.2737(4) 0.12186(16) 0.0274(9) Uani 1 1 d . . . . .
H16A H 0.3176 0.3097 0.1041 0.033 Uiso 1 1 calc R U . . .
H16B H 0.3832 0.3450 0.1302 0.033 Uiso 1 1 calc R U . . .
C17 C 0.37176(19) 0.1888(4) 0.07957(17) 0.0301(9) Uani 1 1 d . . . . .
H17A H 0.4135 0.1739 0.0924 0.036 Uiso 1 1 calc R U . . .
H17B H 0.3638 0.2355 0.0439 0.036 Uiso 1 1 calc R U . . .
C18 C 0.2658(2) 0.0842(4) 0.02388(18) 0.0360(10) Uani 1 1 d . . . . .
H18A H 0.2531 0.1602 0.0402 0.043 Uiso 1 1 calc R U . . .
H18B H 0.2665 0.1048 -0.0146 0.043 Uiso 1 1 calc R U . . .
C19 C 0.22563(18) -0.0230(4) 0.02296(17) 0.0292(9) Uani 1 1 d . . . . .
F1 F 0.49916(14) 0.5864(3) 0.41879(12) 0.0512(8) Uani 1 1 d . . . . .
F2 F 0.45826(12) 0.4271(3) 0.44354(11) 0.0468(7) Uani 1 1 d . . . . .
F3 F 0.54604(13) 0.4159(3) 0.44540(12) 0.0577(9) Uani 1 1 d . . . . .
O1 O 0.42080(12) 0.4604(3) 0.32152(12) 0.0328(7) Uani 1 1 d . . . . .
O2 O 0.52046(13) 0.4478(3) 0.32342(13) 0.0391(8) Uani 1 1 d . . . . .
O3 O 0.47343(15) 0.2683(3) 0.35184(13) 0.0422(8) Uani 1 1 d . . . . .
S5 S 0.47576(4) 0.40253(9) 0.34538(4) 0.0239(2) Uani 1 1 d . . . . .
C20 C 0.49576(18) 0.4620(4) 0.41698(18) 0.0314(10) Uani 1 1 d . . . . .
Cl1 Cl -0.00792(15) 0.3763(3) -0.0228(2) 0.189(2) Uani 1 1 d . . . . .
C22 C 0.0409(7) 0.4988(17) 0.0011(7) 0.092(5) Uani 0.5 1 d . . P . .
H22A H 0.0532 0.5497 -0.0267 0.111 Uiso 0.5 1 calc R U P . .
H22B H 0.0697 0.4888 0.0377 0.111 Uiso 0.5 1 calc R U P . .
F4 F 0.3594(2) 0.2498(6) -0.05920(17) 0.119(2) Uani 1 1 d . . . . .
O6 O 0.3127(2) 0.0577(4) -0.18840(17) 0.0662(12) Uani 1 1 d . . . . .
S6 S 0.3029(5) 0.1197(13) -0.1379(5) 0.054(2) Uani 0.601(8) 1 d . . P A 1
F6 F 0.3967(7) 0.236(2) -0.1265(7) 0.103(7) Uani 0.601(8) 1 d . . P A 1
O4 O 0.2774(4) 0.0449(9) -0.1060(3) 0.069(3) Uani 0.601(8) 1 d . . P A 1
O5 O 0.2722(3) 0.2381(7) -0.1585(3) 0.062(2) Uani 0.601(8) 1 d . . P A 1
C21 C 0.3697(5) 0.1682(18) -0.0995(5) 0.068(4) Uani 0.601(8) 1 d . . P A 1
F5 F 0.4003(3) 0.0683(13) -0.0803(4) 0.157(5) Uani 0.601(8) 1 d . . P A 1
F5' F 0.3320(5) 0.3297(9) -0.1482(4) 0.077(4) Uani 0.399(8) 1 d . . P A 2
S6' S 0.3056(6) 0.0982(18) -0.1407(5) 0.045(3) Uani 0.399(8) 1 d . . P A 2
O5' O 0.3359(6) 0.0026(11) -0.0933(4) 0.081(5) Uani 0.399(8) 1 d . . P A 2
C21' C 0.3518(7) 0.2307(17) -0.1142(7) 0.045(4) Uani 0.399(8) 1 d . . P A 2
O4' O 0.2564(5) 0.131(2) -0.1312(8) 0.128(8) Uani 0.399(8) 1 d . . P A 2
F6' F 0.4040(9) 0.215(3) -0.1170(13) 0.091(9) Uani 0.399(8) 1 d . . P A 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
Ag1 N1 2.398(3) . ?
Ag1 S3 2.5043(10) . ?
Ag1 S1 2.5836(10) . ?
Ag1 S2 2.8462(12) . ?
Ag2 S4 2.5074(10) 1_565 ?
Ag2 S1 2.5253(10) 4 ?
Ag2 O1 2.546(3) . ?
Ag2 S3 2.5955(10) . ?
N1 C4 1.335(6) . ?
N1 C19 1.348(5) . ?
S1 C5 1.812(4) . ?
S1 C6 1.821(4) . ?
S1 Ag2 2.5255(10) 4_545 ?
S2 C17 1.806(4) . ?
S2 C18 1.822(5) . ?
S3 C16 1.820(4) . ?
S3 C15 1.835(4) . ?
S4 C7 1.805(4) . ?
S4 C8 1.827(4) . ?
S4 Ag2 2.5073(10) 1_545 ?
C1 C19 1.381(6) . ?
C1 C2 1.382(7) . ?
C2 C3 1.371(7) . ?
C3 C4 1.386(6) . ?
C4 C5 1.500(6) . ?
C6 C7 1.512(5) . ?
C8 C9 1.497(6) . ?
C9 C14 1.388(6) . ?
C9 C10 1.390(6) . ?
C10 C11 1.377(6) . ?
C11 C12 1.388(6) . ?
C12 C13 1.385(6) . ?
C13 C14 1.393(6) . ?
C13 C15 1.501(6) . ?
C16 C17 1.518(6) . ?
C18 C19 1.493(6) . ?
F1 C20 1.318(5) . ?
F2 C20 1.324(5) . ?
F3 C20 1.325(5) . ?
O1 S5 1.441(3) . ?
O2 S5 1.433(3) . ?
O3 S5 1.431(3) . ?
S5 C20 1.829(4) . ?
Cl1 C22 1.711(16) 5_565 ?
Cl1 C22 1.747(18) . ?
C22 C22 1.98(3) 5_565 ?
F4 C21' 1.351(17) . ?
F4 C21 1.400(15) . ?
O6 S6' 1.322(15) . ?
O6 S6 1.500(12) . ?
S6 O4 1.387(15) . ?
S6 O5 1.476(15) . ?
S6 C21 1.718(14) . ?
F6 C21 1.29(2) . ?
C21 F5 1.31(2) . ?
F5' C21' 1.350(19) . ?
S6' O4' 1.33(2) . ?
S6' O5' 1.575(19) . ?
S6' C21' 1.80(2) . ?
C21' F6' 1.30(2) . ?

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 S3 142.22(9) . . ?
N1 Ag1 S1 75.76(9) . . ?
S3 Ag1 S1 140.03(3) . . ?
N1 Ag1 S2 72.29(9) . . ?
S3 Ag1 S2 79.73(3) . . ?
S1 Ag1 S2 137.41(3) . . ?
S4 Ag2 S1 135.99(3) 1_565 4 ?
S4 Ag2 O1 90.41(7) 1_565 . ?
S1 Ag2 O1 90.34(7) 4 . ?
S4 Ag2 S3 104.03(3) 1_565 . ?
S1 Ag2 S3 116.26(3) 4 . ?
O1 Ag2 S3 112.06(7) . . ?
C4 N1 C19 119.6(3) . . ?
C4 N1 Ag1 121.7(3) . . ?
C19 N1 Ag1 116.7(3) . . ?
C5 S1 C6 102.2(2) . . ?
C5 S1 Ag2 102.92(14) . 4_545 ?
C6 S1 Ag2 111.76(13) . 4_545 ?
C5 S1 Ag1 102.30(16) . . ?
C6 S1 Ag1 104.26(13) . . ?
Ag2 S1 Ag1 129.81(4) 4_545 . ?
C17 S2 C18 100.8(2) . . ?
C17 S2 Ag1 100.20(14) . . ?
C18 S2 Ag1 84.23(16) . . ?
C16 S3 C15 103.9(2) . . ?
C16 S3 Ag1 100.98(14) . . ?
C15 S3 Ag1 112.06(13) . . ?
C16 S3 Ag2 100.47(14) . . ?
C15 S3 Ag2 110.99(13) . . ?
Ag1 S3 Ag2 124.84(4) . . ?
C7 S4 C8 101.56(19) . . ?
C7 S4 Ag2 113.99(13) . 1_545 ?
C8 S4 Ag2 104.59(13) . 1_545 ?
C19 C1 C2 119.1(4) . . ?
C3 C2 C1 119.2(4) . . ?
C2 C3 C4 119.3(5) . . ?
N1 C4 C3 121.5(4) . . ?
N1 C4 C5 119.2(4) . . ?
C3 C4 C5 119.2(4) . . ?
C4 C5 S1 117.0(3) . . ?
C7 C6 S1 110.9(3) . . ?
C6 C7 S4 114.7(3) . . ?
C9 C8 S4 111.7(3) . . ?
C14 C9 C10 119.3(4) . . ?
C14 C9 C8 121.5(4) . . ?
C10 C9 C8 119.2(4) . . ?
C11 C10 C9 120.1(4) . . ?
C10 C11 C12 120.5(4) . . ?
C13 C12 C11 120.0(4) . . ?
C12 C13 C14 119.3(4) . . ?
C12 C13 C15 120.7(4) . . ?
C14 C13 C15 119.9(4) . . ?
C9 C14 C13 120.7(4) . . ?
C13 C15 S3 114.1(3) . . ?
C17 C16 S3 117.4(3) . . ?
C16 C17 S2 117.4(3) . . ?
C19 C18 S2 108.3(3) . . ?
N1 C19 C1 121.2(4) . . ?
N1 C19 C18 116.5(4) . . ?
C1 C19 C18 122.3(4) . . ?
S5 O1 Ag2 133.39(19) . . ?
O3 S5 O2 115.6(2) . . ?
O3 S5 O1 113.9(2) . . ?
O2 S5 O1 114.8(2) . . ?
O3 S5 C20 103.8(2) . . ?
O2 S5 C20 103.71(19) . . ?
O1 S5 C20 102.75(19) . . ?
F1 C20 F2 107.8(4) . . ?
F1 C20 F3 108.0(4) . . ?
F2 C20 F3 107.1(4) . . ?
F1 C20 S5 112.0(3) . . ?
F2 C20 S5 111.2(3) . . ?
F3 C20 S5 110.5(3) . . ?
C22 Cl1 C22 69.8(9) 5_565 . ?
Cl1 C22 C22 54.2(8) . 5_565 ?
O4 S6 O5 114.7(10) . . ?
O4 S6 O6 115.9(9) . . ?
O5 S6 O6 105.1(8) . . ?
O4 S6 C21 110.9(9) . . ?
O5 S6 C21 104.5(10) . . ?
O6 S6 C21 104.6(8) . . ?
F6 C21 F5 108.6(15) . . ?
F6 C21 F4 104.8(16) . . ?
F5 C21 F4 115.7(10) . . ?
F6 C21 S6 114.7(13) . . ?
F5 C21 S6 108.5(12) . . ?
F4 C21 S6 104.7(9) . . ?
O6 S6' O4' 126.6(12) . . ?
O6 S6' O5' 108.5(14) . . ?
O4' S6' O5' 106.9(14) . . ?
O6 S6' C21' 110.8(11) . . ?
O4' S6' C21' 103.5(15) . . ?
O5' S6' C21' 96.3(9) . . ?
F6' C21' F5' 104.4(18) . . ?
F6' C21' F4 102.4(19) . . ?
F5' C21' F4 116.6(13) . . ?
F6' C21' S6' 113.6(18) . . ?
F5' C21' S6' 107.2(13) . . ?
F4 C21' S6' 112.5(12) . . ?

_refine_diff_density_max         1.788
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.109

