# Electronic Supplementary Material (ESI) for Nanoscale.
# 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_P
_database_code_depnum_ccdc_archive 'CCDC 2170052'
loop_
_audit_author_name
_audit_author_address
'Kuan-Guan Liu'
;Ningxia University
China
;
_audit_update_record             
;
2022-05-03 deposited with the CCDC.	2022-06-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            Ag6(3S)4(OTf)6.Ag6(3S)4(CCtBu)4.3CH3CN.H2O
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H84 Ag12 F18 N3 O19 S30'
_chemical_formula_weight         3749.54

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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.6815(6)
_cell_length_b                   15.1285(5)
_cell_length_c                   48.3672(19)
_cell_angle_alpha                90
_cell_angle_beta                 98.4260(10)
_cell_angle_gamma                90
_cell_volume                     11350.7(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9544
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      29.99

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'NOT MEASURED'
_exptl_crystal_density_method    'NOT MEASURED'
_exptl_crystal_density_diffrn    2.194
_exptl_crystal_F_000             7292
_exptl_transmission_factor_min   0.480
_exptl_transmission_factor_max   0.808
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    2.658
_shelx_estimated_absorpt_T_min   0.523
_shelx_estimated_absorpt_T_max   0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-III CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            123526
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -68
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_theta_min         2.554
_diffrn_reflns_theta_max         30.042
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             32340
_reflns_number_gt                25427
_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXL or DIAMOND'
_computing_publication_material  'Bruker SHELXL'
_refine_special_details          
;
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 110 23 ' '
2 0.886 0.140 0.491 29 5 ' '
3 0.500 0.500 0.500 110 23 ' '
4 0.386 0.360 -0.009 29 5 ' '
5 0.614 0.640 0.009 29 5 ' '
6 0.114 0.860 0.509 29 5 ' '
_platon_squeeze_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)+(0.0021P)²+126.0768P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         32340
_refine_ls_number_parameters     1301
_refine_ls_number_restraints     192
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0534
_refine_ls_wR_factor_ref         0.1040
_refine_ls_wR_factor_gt          0.0978
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.002
_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 1.02291(2) 0.92224(2) 0.14366(2) 0.01690(8) Uani 1 1 d . . . . .
Ag2 Ag 0.84105(2) 0.89782(2) 0.12315(2) 0.01663(8) Uani 1 1 d . . . . .
Ag3 Ag 0.81637(2) 1.08612(2) 0.12002(2) 0.01571(7) Uani 1 1 d . . . . .
Ag4 Ag 0.99943(2) 1.11209(2) 0.14106(2) 0.01534(7) Uani 1 1 d . . . . .
Ag5 Ag 0.94747(2) 1.00627(2) 0.09175(2) 0.01697(8) Uani 1 1 d . . . . .
Ag6 Ag 0.89472(2) 1.00487(2) 0.17229(2) 0.01616(7) Uani 1 1 d . . . . .
S1 S 0.99661(10) 0.85626(9) 0.06581(3) 0.0244(3) Uani 1 1 d . . . . .
S2 S 0.87242(9) 0.75133(9) 0.09700(3) 0.0215(3) Uani 1 1 d . . . . .
S3 S 1.06296(9) 0.76982(9) 0.12224(3) 0.0248(3) Uani 1 1 d . . . . .
C11 C 0.9090(4) 0.7782(4) 0.06446(12) 0.0240(11) Uani 1 1 d . . . . .
H11A H 0.859379 0.801911 0.051592 0.029 Uiso 1 1 calc R U . . .
H11B H 0.926990 0.722654 0.056153 0.029 Uiso 1 1 calc R U . . .
C12 C 0.9676(4) 0.7014(4) 0.11585(12) 0.0239(11) Uani 1 1 d . . . . .
H12A H 0.981673 0.648456 0.105364 0.029 Uiso 1 1 calc R U . . .
H12B H 0.953838 0.680860 0.134118 0.029 Uiso 1 1 calc R U . . .
C13 C 1.0794(4) 0.7928(4) 0.08679(14) 0.0287(13) Uani 1 1 d . . . . .
H13A H 1.134707 0.824833 0.087419 0.034 Uiso 1 1 calc R U . . .
H13B H 1.085436 0.735741 0.077248 0.034 Uiso 1 1 calc R U . . .
S4 S 0.94323(9) 1.15354(9) 0.05920(3) 0.0232(3) Uani 1 1 d . . . . .
S5 S 0.80639(9) 1.23394(9) 0.09139(3) 0.0208(3) Uani 1 1 d . . . . .
S6 S 1.00049(9) 1.26046(9) 0.11259(3) 0.0223(3) Uani 1 1 d . . . . .
C14 C 0.8420(4) 1.2109(4) 0.05833(11) 0.0240(11) Uani 1 1 d . . . . .
H14A H 0.846245 1.267738 0.048502 0.029 Uiso 1 1 calc R U . . .
H14B H 0.796800 1.175404 0.046936 0.029 Uiso 1 1 calc R U . . .
C15 C 0.8921(4) 1.3044(3) 0.10759(12) 0.0221(11) Uani 1 1 d . . . . .
H15A H 0.878278 1.322249 0.126114 0.027 Uiso 1 1 calc R U . . .
H15B H 0.891900 1.358683 0.096164 0.027 Uiso 1 1 calc R U . . .
C16 C 1.0143(4) 1.2359(4) 0.07719(13) 0.0251(12) Uani 1 1 d . . . . .
H16A H 1.074422 1.215972 0.077190 0.030 Uiso 1 1 calc R U . . .
H16B H 1.006720 1.291384 0.066276 0.030 Uiso 1 1 calc R U . . .
S7 S 0.68186(9) 0.86993(9) 0.13367(3) 0.0230(3) Uani 1 1 d . . . . .
S8 S 0.65560(8) 1.07173(9) 0.13059(3) 0.0226(3) Uani 1 1 d . . . . .
S9 S 0.73527(9) 0.98467(10) 0.18590(3) 0.0237(3) Uani 1 1 d . . . . .
C17 C 0.6863(4) 0.8842(4) 0.17073(13) 0.0267(12) Uani 1 1 d . . . . .
H17A H 0.718231 0.833486 0.180149 0.032 Uiso 1 1 calc R U . . .
H17B H 0.626670 0.881281 0.175126 0.032 Uiso 1 1 calc R U . . .
C18 C 0.6150(4) 0.9627(4) 0.12071(13) 0.0257(12) Uani 1 1 d . . . . .
H18A H 0.604889 0.959450 0.100048 0.031 Uiso 1 1 calc R U . . .
H18B H 0.558339 0.955797 0.127207 0.031 Uiso 1 1 calc R U . . .
C19 C 0.6622(4) 1.0645(4) 0.16785(12) 0.0264(12) Uani 1 1 d . . . . .
H19A H 0.603734 1.051414 0.172187 0.032 Uiso 1 1 calc R U . . .
H19B H 0.678622 1.123497 0.175748 0.032 Uiso 1 1 calc R U . . .
S10 S 1.14682(9) 0.93105(9) 0.18715(3) 0.0251(3) Uani 1 1 d . . . . .
S11 S 1.12608(9) 1.13356(9) 0.18384(3) 0.0235(3) Uani 1 1 d . . . . .
S12 S 1.01681(9) 1.02382(12) 0.21893(3) 0.0301(3) Uani 1 1 d . . . . .
C20 C 1.1967(3) 1.0387(4) 0.18607(13) 0.0253(12) Uani 1 1 d . . . . .
H20A H 1.239893 1.045177 0.203061 0.030 Uiso 1 1 calc R U . . .
H20B H 1.228326 1.040091 0.169792 0.030 Uiso 1 1 calc R U . . .
C21 C 1.0817(4) 1.1205(4) 0.21594(13) 0.0317(14) Uani 1 1 d . . . . .
H21A H 1.130015 1.119958 0.231595 0.038 Uiso 1 1 calc R U . . .
H21B H 1.046097 1.173214 0.218388 0.038 Uiso 1 1 calc R U . . .
C22 C 1.0995(4) 0.9405(4) 0.21869(13) 0.0323(14) Uani 1 1 d . . . . .
H22A H 1.146209 0.953073 0.234299 0.039 Uiso 1 1 calc R U . . .
H22B H 1.074460 0.882483 0.222492 0.039 Uiso 1 1 calc R U . . .
C41 C 0.8035(3) 0.9831(4) 0.08360(11) 0.0203(10) Uani 1 1 d . . . . .
C42 C 0.7617(4) 0.9659(4) 0.06134(12) 0.0248(12) Uani 1 1 d . . . . .
C43 C 0.7096(6) 0.9438(6) 0.03410(17) 0.060(3) Uani 1 1 d . . . . .
C44 C 0.7636(8) 0.9529(9) 0.0108(2) 0.094(4) Uani 1 1 d . U . . .
H44A H 0.783949 1.013971 0.010098 0.141 Uiso 1 1 calc R U . . .
H44B H 0.728668 0.937649 -0.007038 0.141 Uiso 1 1 calc R U . . .
H44C H 0.813188 0.912926 0.014303 0.141 Uiso 1 1 calc R U . . .
C45 C 0.6297(6) 1.0048(6) 0.02892(19) 0.070(3) Uani 1 1 d . . . . .
H45A H 0.648318 1.065721 0.026424 0.105 Uiso 1 1 calc R U . . .
H45B H 0.598360 1.001807 0.044989 0.105 Uiso 1 1 calc R U . . .
H45C H 0.591944 0.985388 0.012062 0.105 Uiso 1 1 calc R U . . .
C46 C 0.6789(7) 0.8468(7) 0.0347(3) 0.092(4) Uani 1 1 d . U . . .
H46A H 0.726745 0.807147 0.032322 0.138 Uiso 1 1 calc R U . . .
H46B H 0.631152 0.837040 0.019570 0.138 Uiso 1 1 calc R U . . .
H46C H 0.659552 0.834628 0.052719 0.138 Uiso 1 1 calc R U . . .
C51 C 1.0815(3) 1.0227(3) 0.11631(11) 0.0197(10) Uani 1 1 d . . . . .
C52 C 1.1467(3) 1.0290(3) 0.10594(11) 0.0195(10) Uani 1 1 d . . . . .
C53 C 1.2273(3) 1.0375(4) 0.09292(13) 0.0240(12) Uani 1 1 d . . . . .
C54 C 1.2286(4) 1.1272(5) 0.07903(17) 0.0403(17) Uani 1 1 d . . . . .
H54A H 1.182365 1.130068 0.063044 0.060 Uiso 1 1 calc R U . . .
H54B H 1.284336 1.135957 0.072558 0.060 Uiso 1 1 calc R U . . .
H54C H 1.219847 1.173496 0.092497 0.060 Uiso 1 1 calc R U . . .
C55 C 1.3064(4) 1.0295(5) 0.11612(16) 0.0409(17) Uani 1 1 d . . . . .
H55A H 1.306567 1.079055 0.129190 0.061 Uiso 1 1 calc R U . . .
H55B H 1.359463 1.030853 0.107627 0.061 Uiso 1 1 calc R U . . .
H55C H 1.303323 0.973714 0.126200 0.061 Uiso 1 1 calc R U . . .
C56 C 1.2317(5) 0.9653(5) 0.07108(18) 0.051(2) Uani 1 1 d . . . . .
H56A H 1.243607 0.908272 0.080471 0.076 Uiso 1 1 calc R U . . .
H56B H 1.277729 0.979132 0.060098 0.076 Uiso 1 1 calc R U . . .
H56C H 1.176445 0.962151 0.058658 0.076 Uiso 1 1 calc R U . . .
C61 C 0.9160(3) 0.8594(3) 0.16590(11) 0.0201(10) Uani 1 1 d . . . . .
C62 C 0.9156(4) 0.7973(4) 0.18190(12) 0.0233(11) Uani 1 1 d . . . . .
C63 C 0.9155(4) 0.7229(4) 0.20168(12) 0.0308(14) Uani 1 1 d . . . . .
C64 C 0.8675(7) 0.7488(5) 0.22602(15) 0.064(3) Uani 1 1 d . . . . .
H64A H 0.896744 0.799130 0.236091 0.096 Uiso 1 1 calc R U . . .
H64B H 0.867242 0.698622 0.238806 0.096 Uiso 1 1 calc R U . . .
H64C H 0.808092 0.765293 0.218675 0.096 Uiso 1 1 calc R U . . .
C65 C 1.0097(6) 0.6987(5) 0.2127(2) 0.071(3) Uani 1 1 d . . . . .
H65A H 1.039389 0.682350 0.196938 0.106 Uiso 1 1 calc R U . . .
H65B H 1.011029 0.648776 0.225620 0.106 Uiso 1 1 calc R U . . .
H65C H 1.038677 0.749666 0.222427 0.106 Uiso 1 1 calc R U . . .
C66 C 0.8711(4) 0.6431(4) 0.18656(13) 0.0284(13) Uani 1 1 d . . . . .
H66A H 0.810983 0.657953 0.179554 0.043 Uiso 1 1 calc R U . . .
H66B H 0.872875 0.593264 0.199563 0.043 Uiso 1 1 calc R U . . .
H66C H 0.900935 0.626945 0.170849 0.043 Uiso 1 1 calc R U . . .
C71 C 0.8804(3) 1.1507(3) 0.16238(11) 0.0173(10) Uani 1 1 d . . . . .
C72 C 0.8655(3) 1.2086(3) 0.17782(11) 0.0186(10) Uani 1 1 d . . . . .
C73 C 0.8449(3) 1.2791(3) 0.19741(12) 0.0188(10) Uani 1 1 d . . . . .
C74 C 0.7546(4) 1.2641(4) 0.20549(13) 0.0271(12) Uani 1 1 d . . . . .
H74A H 0.711051 1.270627 0.188872 0.041 Uiso 1 1 calc R U . . .
H74B H 0.743963 1.307796 0.219559 0.041 Uiso 1 1 calc R U . . .
H74C H 0.751235 1.204502 0.213162 0.041 Uiso 1 1 calc R U . . .
C75 C 0.9113(4) 1.2780(4) 0.22401(13) 0.0286(13) Uani 1 1 d . . . . .
H75A H 0.912670 1.219161 0.232539 0.043 Uiso 1 1 calc R U . . .
H75B H 0.895293 1.321927 0.237235 0.043 Uiso 1 1 calc R U . . .
H75C H 0.968385 1.292244 0.219282 0.043 Uiso 1 1 calc R U . . .
C76 C 0.8470(4) 1.3689(4) 0.18279(13) 0.0265(12) Uani 1 1 d . . . . .
H76A H 0.904699 1.379049 0.177893 0.040 Uiso 1 1 calc R U . . .
H76B H 0.833138 1.415820 0.195367 0.040 Uiso 1 1 calc R U . . .
H76C H 0.804592 1.369183 0.165760 0.040 Uiso 1 1 calc R U . . .
Ag7 Ag 0.52400(2) 0.42641(2) 0.13870(2) 0.01776(8) Uani 1 1 d . . . . .
Ag8 Ag 0.34667(3) 0.41060(3) 0.12167(2) 0.02328(9) Uani 1 1 d . . . . .
Ag9 Ag 0.32983(3) 0.59466(3) 0.11963(2) 0.02623(10) Uani 1 1 d . . . . .
Ag10 Ag 0.50834(2) 0.61030(3) 0.13652(2) 0.01924(8) Uani 1 1 d . . . . .
Ag11 Ag 0.44687(3) 0.50926(3) 0.08954(2) 0.02086(8) Uani 1 1 d . . . . .
Ag12 Ag 0.40701(3) 0.51137(3) 0.16874(2) 0.02275(9) Uani 1 1 d . . . . .
S13 S 0.52696(9) 0.28285(9) 0.16840(3) 0.0242(3) Uani 1 1 d . . . . .
S14 S 0.39906(10) 0.37376(10) 0.20177(3) 0.0295(3) Uani 1 1 d . . . . .
S15 S 0.33249(9) 0.26536(9) 0.14951(3) 0.0269(3) Uani 1 1 d . . . . .
C23 C 0.4966(4) 0.3105(4) 0.20199(13) 0.0300(13) Uani 1 1 d . . . . .
H23A H 0.490414 0.254765 0.212232 0.036 Uiso 1 1 calc R U . . .
H23B H 0.544596 0.344088 0.212735 0.036 Uiso 1 1 calc R U . . .
C24 C 0.3225(4) 0.2938(4) 0.18513(14) 0.0313(14) Uani 1 1 d . . . . .
H24A H 0.328332 0.238933 0.196426 0.038 Uiso 1 1 calc R U . . .
H24B H 0.263674 0.317025 0.185503 0.038 Uiso 1 1 calc R U . . .
C25 C 0.4374(4) 0.2134(4) 0.15487(14) 0.0270(12) Uani 1 1 d . . . . .
H25A H 0.435449 0.163185 0.167894 0.032 Uiso 1 1 calc R U . . .
H25B H 0.448582 0.188673 0.136792 0.032 Uiso 1 1 calc R U . . .
S16 S 0.20516(10) 0.58518(10) 0.07779(5) 0.0429(5) Uani 1 1 d . . . . .
S17 S 0.22365(9) 0.38278(10) 0.08038(4) 0.0343(4) Uani 1 1 d . . . . .
S18 S 0.33277(11) 0.49182(10) 0.04487(4) 0.0350(4) Uani 1 1 d . . . . .
C26 C 0.1532(4) 0.4783(4) 0.07720(18) 0.0432(19) Uani 1 1 d . . . . .
H26A H 0.113109 0.473053 0.059458 0.052 Uiso 1 1 calc R U . . .
H26B H 0.118156 0.476382 0.092622 0.052 Uiso 1 1 calc R U . . .
C27 C 0.2690(4) 0.3938(4) 0.04836(14) 0.0351(15) Uani 1 1 d . . . . .
H27A H 0.221101 0.392492 0.032559 0.042 Uiso 1 1 calc R U . . .
H27B H 0.305572 0.341439 0.046489 0.042 Uiso 1 1 calc R U . . .
C28 C 0.2526(5) 0.5769(5) 0.04623(16) 0.0447(19) Uani 1 1 d . . . . .
H28A H 0.279408 0.634527 0.043026 0.054 Uiso 1 1 calc R U . . .
H28B H 0.205651 0.567073 0.030491 0.054 Uiso 1 1 calc R U . . .
S19 S 0.67533(8) 0.42596(8) 0.12194(3) 0.0178(2) Uani 1 1 d . . . . .
S20 S 0.59339(9) 0.52689(9) 0.06991(3) 0.0227(3) Uani 1 1 d . . . . .
S21 S 0.66325(8) 0.62881(8) 0.12354(3) 0.0206(3) Uani 1 1 d . . . . .
C29 C 0.6637(3) 0.4396(4) 0.08461(12) 0.0222(11) Uani 1 1 d . . . . .
H29A H 0.642129 0.383208 0.075798 0.027 Uiso 1 1 calc R U . . .
H29B H 0.721549 0.450170 0.079400 0.027 Uiso 1 1 calc R U . . .
C30 C 0.6506(4) 0.6211(4) 0.08560(13) 0.0266(12) Uani 1 1 d . . . . .
H30A H 0.620379 0.674953 0.077727 0.032 Uiso 1 1 calc R U . . .
H30B H 0.708705 0.621413 0.079919 0.032 Uiso 1 1 calc R U . . .
C31 C 0.7262(3) 0.5294(3) 0.13248(11) 0.0185(10) Uani 1 1 d . . . . .
H31A H 0.779867 0.533830 0.124027 0.022 Uiso 1 1 calc R U . . .
H31B H 0.743111 0.528168 0.153021 0.022 Uiso 1 1 calc R U . . .
S22 S 0.49036(9) 0.75125(9) 0.16523(3) 0.0252(3) Uani 1 1 d . . . . .
S23 S 0.37217(9) 0.64777(10) 0.19904(4) 0.0287(3) Uani 1 1 d . . . . .
S24 S 0.29541(9) 0.74003(9) 0.14461(4) 0.0283(3) Uani 1 1 d . . . . .
C32 C 0.4609(4) 0.7234(4) 0.19882(13) 0.0286(13) Uani 1 1 d . . . . .
H32A H 0.512143 0.697642 0.210435 0.034 Uiso 1 1 calc R U . . .
H32B H 0.446664 0.778856 0.207987 0.034 Uiso 1 1 calc R U . . .
C33 C 0.2867(4) 0.7139(4) 0.18068(15) 0.0338(15) Uani 1 1 d . . . . .
H33A H 0.283950 0.770124 0.191001 0.041 Uiso 1 1 calc R U . . .
H33B H 0.231521 0.682542 0.181094 0.041 Uiso 1 1 calc R U . . .
C34 C 0.3921(4) 0.8062(4) 0.14979(14) 0.0276(13) Uani 1 1 d . . . . .
H34A H 0.382225 0.856983 0.161834 0.033 Uiso 1 1 calc R U . . .
H34B H 0.401422 0.830336 0.131444 0.033 Uiso 1 1 calc R U . . .
S25 S 0.62207(8) 0.53293(9) 0.20112(3) 0.0208(3) Uani 1 1 d . . . . .
O1 O 0.5357(2) 0.5296(3) 0.20856(9) 0.0269(9) Uani 1 1 d . . . . .
O2 O 0.6462(3) 0.6174(3) 0.19073(9) 0.0307(9) Uani 1 1 d . . . . .
O3 O 0.6436(3) 0.4572(3) 0.18526(8) 0.0258(9) Uani 1 1 d . . . . .
C1 C 0.6888(4) 0.5197(4) 0.23479(12) 0.0231(11) Uani 1 1 d . . . . .
F1 F 0.6764(3) 0.5857(2) 0.25195(8) 0.0377(9) Uani 1 1 d . . . . .
F2 F 0.6696(2) 0.4448(2) 0.24710(7) 0.0330(8) Uani 1 1 d . . . . .
F3 F 0.7718(2) 0.5173(3) 0.23249(7) 0.0337(8) Uani 1 1 d . . . . .
S26 S 0.47554(9) 0.27844(9) 0.08181(3) 0.0256(3) Uani 1 1 d . . . . .
O4 O 0.4785(3) 0.3515(3) 0.06277(9) 0.0313(10) Uani 1 1 d . . . . .
O5 O 0.5453(3) 0.2772(3) 0.10482(10) 0.0332(10) Uani 1 1 d . . . . .
O6 O 0.3921(3) 0.2619(3) 0.08977(10) 0.0339(10) Uani 1 1 d . . . . .
C2 C 0.4960(5) 0.1824(5) 0.06150(16) 0.0415(17) Uani 1 1 d . . . . .
F4 F 0.4901(3) 0.1075(3) 0.07571(10) 0.0503(11) Uani 1 1 d . . . . .
F5 F 0.5746(4) 0.1870(3) 0.05441(13) 0.0780(18) Uani 1 1 d . . . . .
F6 F 0.4413(4) 0.1766(3) 0.03826(10) 0.0786(18) Uani 1 1 d . . . . .
S27 S 0.42833(11) 0.74366(10) 0.07614(4) 0.0332(4) Uani 1 1 d . . . . .
O7 O 0.3454(3) 0.7471(3) 0.08536(10) 0.0357(10) Uani 1 1 d . . . . .
O8 O 0.4416(3) 0.6674(3) 0.05907(10) 0.0379(11) Uani 1 1 d . . . . .
O9 O 0.4992(3) 0.7622(4) 0.09792(15) 0.074(2) Uani 1 1 d . . . . .
C3 C 0.4237(6) 0.8349(6) 0.0512(2) 0.060(2) Uani 1 1 d . U . . .
F7 F 0.4331(4) 0.9113(3) 0.06533(16) 0.0859(18) Uani 1 1 d . U . . .
F8 F 0.4708(6) 0.8232(6) 0.0296(2) 0.052(2) Uani 0.590(15) 1 d . U P A 1
F81 F 0.5118(11) 0.8335(9) 0.0473(4) 0.074(4) Uani 0.410(15) 1 d . U P A 2
F9 F 0.3501(5) 0.8360(4) 0.03460(12) 0.0844(18) Uani 1 1 d . U . . .
S28 S 0.17549(11) 0.48834(13) 0.15767(6) 0.0578(6) Uani 1 1 d . . . . .
O10 O 0.1942(3) 0.4138(4) 0.14085(15) 0.0610(17) Uani 1 1 d . . . . .
O11 O 0.2301(4) 0.4923(4) 0.18433(16) 0.075(2) Uani 1 1 d . . . . .
O12 O 0.1641(4) 0.5693(4) 0.14280(19) 0.090(3) Uani 1 1 d . U . . .
C4 C 0.0699(5) 0.4586(7) 0.1659(2) 0.063(3) Uani 1 1 d . . . . .
F10 F 0.0696(3) 0.3771(4) 0.17537(12) 0.0679(15) Uani 1 1 d . . . . .
F11 F 0.0471(4) 0.5118(5) 0.18519(15) 0.096(2) Uani 1 1 d . U . . .
F12 F 0.0095(3) 0.4655(3) 0.14314(11) 0.0582(13) Uani 1 1 d . . . . .
S29 S 0.91363(8) 0.51165(9) 0.05971(3) 0.0195(2) Uani 1 1 d . . . . .
O13 O 0.9785(2) 0.5795(2) 0.05933(9) 0.0254(9) Uani 1 1 d . . . . .
O14 O 0.9413(3) 0.4241(3) 0.05304(9) 0.0287(9) Uani 1 1 d . . . . .
O15 O 0.8636(3) 0.5168(3) 0.08245(9) 0.0274(9) Uani 1 1 d . . . . .
C5 C 0.8343(4) 0.5385(4) 0.02957(14) 0.0319(14) Uani 1 1 d . . . . .
F13 F 0.8011(2) 0.6188(3) 0.03164(9) 0.0395(9) Uani 1 1 d . . . . .
F14 F 0.8725(3) 0.5365(3) 0.00604(7) 0.0407(9) Uani 1 1 d . . . . .
F15 F 0.7699(3) 0.4807(3) 0.02644(9) 0.0452(10) Uani 1 1 d . . . . .
S30 S 0.43408(8) 0.00503(9) 0.20254(3) 0.0232(3) Uani 1 1 d . . . . .
O16 O 0.4665(3) 0.0035(3) 0.17625(8) 0.0263(9) Uani 1 1 d . . . . .
O17 O 0.3986(3) 0.0888(3) 0.20982(11) 0.0371(11) Uani 1 1 d . . . . .
O18 O 0.3849(3) -0.0716(3) 0.20791(11) 0.0378(11) Uani 1 1 d . . . . .
C6 C 0.5313(4) -0.0041(4) 0.22793(12) 0.0255(12) Uani 1 1 d . . . . .
F16 F 0.5821(2) 0.0665(2) 0.22660(8) 0.0327(8) Uani 1 1 d . . . . .
F17 F 0.5767(2) -0.0758(2) 0.22291(7) 0.0310(8) Uani 1 1 d . . . . .
F18 F 0.5142(3) -0.0099(3) 0.25412(8) 0.0447(10) Uani 1 1 d . . . . .
C81 C 0.9621(5) 0.7301(5) 0.99570(15) 0.0407(16) Uani 1 1 d . U . . .
C82 C 1.0483(5) 0.6946(5) 1.00557(17) 0.0482(19) Uani 1 1 d . U . . .
N1 N 0.8944(5) 0.7571(6) 0.98801(15) 0.0600(19) Uani 1 1 d . U . . .
C91 C 0.5342(7) 0.3806(8) 0.0027(2) 0.094(4) Uani 1 1 d D U . . .
C92 C 0.6183(7) 0.3392(7) 0.0094(2) 0.084(3) Uani 1 1 d D U . . .
N2 N 0.6866(7) 0.3047(7) 0.0131(2) 0.109(4) Uani 1 1 d D U . . .
C101 C 0.3193(10) 0.8612(11) 0.2611(3) 0.123(5) Uani 1 1 d D U . . .
C102 C 0.2644(9) 0.7858(9) 0.2518(3) 0.104(4) Uani 1 1 d D U . . .
N3 N 0.2104(8) 0.7325(10) 0.2443(3) 0.133(4) Uani 1 1 d D U . . .
O1S O 0.2251(7) 0.5577(9) 0.2436(2) 0.144(4) 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 C51 2.293(5) . ?
Ag1 C61 2.324(5) . ?
Ag1 S3 2.6411(14) . ?
Ag1 S10 2.6496(14) . ?
Ag1 Ag6 2.8872(5) . ?
Ag1 Ag4 2.8959(5) . ?
Ag1 Ag2 2.9024(5) . ?
Ag1 Ag5 2.9068(5) . ?
Ag2 C61 2.298(5) . ?
Ag2 C41 2.311(5) . ?
Ag2 S2 2.6334(14) . ?
Ag2 S7 2.6534(14) . ?
Ag2 Ag3 2.8759(5) . ?
Ag2 Ag6 2.8971(5) . ?
Ag2 Ag5 2.9201(5) . ?
Ag3 C41 2.339(5) . ?
Ag3 C71 2.357(5) . ?
Ag3 S5 2.6229(14) . ?
Ag3 S8 2.6539(14) . ?
Ag3 Ag5 2.8948(5) . ?
Ag3 Ag6 2.9156(5) . ?
Ag3 Ag4 2.9282(5) . ?
Ag4 C51 2.318(5) . ?
Ag4 C71 2.335(5) . ?
Ag4 S6 2.6348(14) . ?
Ag4 S11 2.6697(14) . ?
Ag4 Ag6 2.8870(5) . ?
Ag4 Ag5 2.8890(5) . ?
Ag5 C41 2.261(5) . ?
Ag5 C51 2.271(5) . ?
Ag5 S4 2.7232(14) . ?
Ag5 S1 2.7570(14) . ?
Ag6 C61 2.254(5) . ?
Ag6 C71 2.261(5) . ?
Ag6 S9 2.6948(14) . ?
Ag6 S12 2.7517(15) . ?
S1 C13 1.803(6) . ?
S1 C11 1.805(6) . ?
S2 C12 1.798(6) . ?
S2 C11 1.799(6) . ?
S3 C13 1.805(7) . ?
S3 C12 1.807(6) . ?
S4 C14 1.803(6) . ?
S4 C16 1.807(6) . ?
S5 C15 1.802(6) . ?
S5 C14 1.803(6) . ?
S6 C16 1.796(6) . ?
S6 C15 1.807(6) . ?
S7 C17 1.797(6) . ?
S7 C18 1.808(6) . ?
S8 C19 1.793(6) . ?
S8 C18 1.807(6) . ?
S9 C19 1.800(6) . ?
S9 C17 1.809(6) . ?
S10 C22 1.797(7) . ?
S10 C20 1.811(6) . ?
S11 C21 1.803(7) . ?
S11 C20 1.806(6) . ?
S12 C21 1.799(7) . ?
S12 C22 1.810(7) . ?
C41 C42 1.205(8) . ?
C42 C43 1.483(9) . ?
C43 C44 1.511(14) . ?
C43 C46 1.546(14) . ?
C43 C45 1.545(10) . ?
C51 C52 1.206(7) . ?
C52 C53 1.498(8) . ?
C53 C54 1.516(8) . ?
C53 C56 1.528(9) . ?
C53 C55 1.551(9) . ?
C61 C62 1.218(8) . ?
C62 C63 1.478(8) . ?
C63 C66 1.525(8) . ?
C63 C65 1.539(10) . ?
C63 C64 1.538(10) . ?
C71 C72 1.197(7) . ?
C72 C73 1.493(7) . ?
C73 C75 1.532(8) . ?
C73 C76 1.535(8) . ?
C73 C74 1.540(7) . ?
Ag7 S13 2.6008(14) . ?
Ag7 S19 2.6177(13) . ?
Ag7 Ag8 2.7923(5) . ?
Ag7 Ag10 2.7933(5) . ?
Ag7 Ag11 2.8006(6) . ?
Ag7 Ag12 2.8126(6) . ?
Ag8 S17 2.5996(16) . ?
Ag8 S15 2.6035(16) . ?
Ag8 Ag12 2.7880(6) . ?
Ag8 Ag9 2.7974(6) . ?
Ag8 Ag11 2.7977(6) . ?
Ag9 S24 2.6037(15) . ?
Ag9 S16 2.6035(17) . ?
Ag9 Ag12 2.8023(6) . ?
Ag9 Ag10 2.8088(6) . ?
Ag9 Ag11 2.8175(6) . ?
Ag10 S22 2.5826(14) . ?
Ag10 S21 2.6118(14) . ?
Ag10 Ag11 2.7905(6) . ?
Ag10 Ag12 2.8141(6) . ?
Ag11 S18 2.6089(15) . ?
Ag11 S20 2.6251(15) . ?
Ag12 O1 2.592(4) . ?
Ag12 S23 2.6341(15) . ?
Ag12 S14 2.6381(16) . ?
S13 C25 1.798(6) . ?
S13 C23 1.808(7) . ?
S14 C23 1.803(7) . ?
S14 C24 1.809(6) . ?
S15 C24 1.805(7) . ?
S15 C25 1.808(6) . ?
S16 C28 1.798(9) . ?
S16 C26 1.809(7) . ?
S17 C27 1.804(8) . ?
S17 C26 1.811(6) . ?
S18 C28 1.806(7) . ?
S18 C27 1.811(7) . ?
S19 C31 1.796(5) . ?
S19 C29 1.800(6) . ?
S20 C30 1.792(6) . ?
S20 C29 1.799(6) . ?
S21 C31 1.816(6) . ?
S21 C30 1.820(6) . ?
S22 C32 1.803(7) . ?
S22 C34 1.812(6) . ?
S23 C33 1.799(6) . ?
S23 C32 1.803(6) . ?
S24 C34 1.804(6) . ?
S24 C33 1.813(7) . ?
S25 O2 1.443(4) . ?
S25 O3 1.446(4) . ?
S25 O1 1.452(4) . ?
S25 C1 1.813(6) . ?
C1 F3 1.322(6) . ?
C1 F1 1.331(6) . ?
C1 F2 1.336(7) . ?
S26 O6 1.439(5) . ?
S26 O5 1.442(4) . ?
S26 O4 1.443(4) . ?
S26 C2 1.808(7) . ?
C2 F6 1.313(9) . ?
C2 F5 1.330(9) . ?
C2 F4 1.335(8) . ?
S27 O7 1.436(5) . ?
S27 O9 1.442(5) . ?
S27 O8 1.451(5) . ?
S27 C3 1.829(10) . ?
C3 F9 1.304(11) . ?
C3 F7 1.340(10) . ?
C3 F8 1.377(12) . ?
C3 F81 1.422(16) . ?
S28 O12 1.418(7) . ?
S28 O11 1.441(7) . ?
S28 O10 1.445(6) . ?
S28 C4 1.816(9) . ?
C4 F10 1.316(12) . ?
C4 F11 1.321(9) . ?
C4 F12 1.346(10) . ?
S29 O15 1.444(4) . ?
S29 O14 1.445(4) . ?
S29 O13 1.447(4) . ?
S29 C5 1.818(6) . ?
C5 F15 1.328(7) . ?
C5 F13 1.332(7) . ?
C5 F14 1.362(8) . ?
S30 O18 1.437(4) . ?
S30 O16 1.437(4) . ?
S30 O17 1.448(4) . ?
S30 C6 1.817(6) . ?
C6 F18 1.336(6) . ?
C6 F16 1.339(7) . ?
C6 F17 1.340(6) . ?
C81 N1 1.146(10) . ?
C81 C82 1.468(11) . ?
C91 C92 1.454(8) . ?
C92 N2 1.181(7) . ?
C101 C102 1.459(8) . ?
C102 N3 1.188(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
C51 Ag1 C61 156.25(19) . . ?
C51 Ag1 S3 102.35(14) . . ?
C61 Ag1 S3 93.07(14) . . ?
C51 Ag1 S10 96.63(14) . . ?
C61 Ag1 S10 98.51(14) . . ?
S3 Ag1 S10 99.58(5) . . ?
C51 Ag1 Ag6 110.84(13) . . ?
C61 Ag1 Ag6 49.83(13) . . ?
S3 Ag1 Ag6 142.03(4) . . ?
S10 Ag1 Ag6 94.51(4) . . ?
C51 Ag1 Ag4 51.47(13) . . ?
C61 Ag1 Ag4 109.27(13) . . ?
S3 Ag1 Ag4 152.24(4) . . ?
S10 Ag1 Ag4 93.35(3) . . ?
Ag6 Ag1 Ag4 59.895(13) . . ?
C51 Ag1 Ag2 110.11(13) . . ?
C61 Ag1 Ag2 50.71(13) . . ?
S3 Ag1 Ag2 91.89(3) . . ?
S10 Ag1 Ag2 147.91(4) . . ?
Ag6 Ag1 Ag2 60.051(13) . . ?
Ag4 Ag1 Ag2 89.950(15) . . ?
C51 Ag1 Ag5 50.11(13) . . ?
C61 Ag1 Ag5 110.42(13) . . ?
S3 Ag1 Ag5 97.65(4) . . ?
S10 Ag1 Ag5 145.29(4) . . ?
Ag6 Ag1 Ag5 90.062(15) . . ?
Ag4 Ag1 Ag5 59.717(13) . . ?
Ag2 Ag1 Ag5 60.353(13) . . ?
C61 Ag2 C41 157.01(18) . . ?
C61 Ag2 S2 96.46(14) . . ?
C41 Ag2 S2 96.61(14) . . ?
C61 Ag2 S7 99.13(14) . . ?
C41 Ag2 S7 96.59(14) . . ?
S2 Ag2 S7 101.86(4) . . ?
C61 Ag2 Ag3 110.18(13) . . ?
C41 Ag2 Ag3 52.22(13) . . ?
S2 Ag2 Ag3 147.30(4) . . ?
S7 Ag2 Ag3 92.55(3) . . ?
C61 Ag2 Ag6 49.80(13) . . ?
C41 Ag2 Ag6 112.03(13) . . ?
S2 Ag2 Ag6 144.31(3) . . ?
S7 Ag2 Ag6 95.74(3) . . ?
Ag3 Ag2 Ag6 60.666(13) . . ?
C61 Ag2 Ag1 51.50(13) . . ?
C41 Ag2 Ag1 109.28(13) . . ?
S2 Ag2 Ag1 91.60(3) . . ?
S7 Ag2 Ag1 149.27(4) . . ?
Ag3 Ag2 Ag1 90.561(15) . . ?
Ag6 Ag2 Ag1 59.714(13) . . ?
C61 Ag2 Ag5 110.75(13) . . ?
C41 Ag2 Ag5 49.56(13) . . ?
S2 Ag2 Ag5 93.54(3) . . ?
S7 Ag2 Ag5 144.53(4) . . ?
Ag3 Ag2 Ag5 59.922(13) . . ?
Ag6 Ag2 Ag5 89.606(15) . . ?
Ag1 Ag2 Ag5 59.897(13) . . ?
C41 Ag3 C71 155.44(18) . . ?
C41 Ag3 S5 100.29(14) . . ?
C71 Ag3 S5 95.20(13) . . ?
C41 Ag3 S8 96.37(14) . . ?
C71 Ag3 S8 99.34(13) . . ?
S5 Ag3 S8 100.77(4) . . ?
C41 Ag3 Ag2 51.36(13) . . ?
C71 Ag3 Ag2 109.13(13) . . ?
S5 Ag3 Ag2 150.40(4) . . ?
S8 Ag3 Ag2 91.89(3) . . ?
C41 Ag3 Ag5 49.82(13) . . ?
C71 Ag3 Ag5 109.99(12) . . ?
S5 Ag3 Ag5 95.62(3) . . ?
S8 Ag3 Ag5 144.81(3) . . ?
Ag2 Ag3 Ag5 60.796(13) . . ?
C41 Ag3 Ag6 110.55(13) . . ?
C71 Ag3 Ag6 49.41(13) . . ?
S5 Ag3 Ag6 143.34(4) . . ?
S8 Ag3 Ag6 95.16(3) . . ?
Ag2 Ag3 Ag6 60.026(13) . . ?
Ag5 Ag3 Ag6 89.738(15) . . ?
C41 Ag3 Ag4 108.85(13) . . ?
C71 Ag3 Ag4 51.04(12) . . ?
S5 Ag3 Ag4 92.79(3) . . ?
S8 Ag3 Ag4 148.72(4) . . ?
Ag2 Ag3 Ag4 89.832(14) . . ?
Ag5 Ag3 Ag4 59.485(13) . . ?
Ag6 Ag3 Ag4 59.211(13) . . ?
C51 Ag4 C71 156.13(18) . . ?
C51 Ag4 S6 100.41(14) . . ?
C71 Ag4 S6 94.85(13) . . ?
C51 Ag4 S11 93.73(14) . . ?
C71 Ag4 S11 100.32(13) . . ?
S6 Ag4 S11 103.91(5) . . ?
C51 Ag4 Ag6 110.11(13) . . ?
C71 Ag4 Ag6 49.96(13) . . ?
S6 Ag4 Ag6 143.10(3) . . ?
S11 Ag4 Ag6 94.50(4) . . ?
C51 Ag4 Ag5 50.27(13) . . ?
C71 Ag4 Ag5 110.87(12) . . ?
S6 Ag4 Ag5 93.62(3) . . ?
S11 Ag4 Ag5 142.67(3) . . ?
Ag6 Ag4 Ag5 90.422(15) . . ?
C51 Ag4 Ag1 50.72(13) . . ?
C71 Ag4 Ag1 109.49(13) . . ?
S6 Ag4 Ag1 148.99(4) . . ?
S11 Ag4 Ag1 90.67(3) . . ?
Ag6 Ag4 Ag1 59.903(13) . . ?
Ag5 Ag4 Ag1 60.328(13) . . ?
C51 Ag4 Ag3 109.42(13) . . ?
C71 Ag4 Ag3 51.73(12) . . ?
S6 Ag4 Ag3 90.78(3) . . ?
S11 Ag4 Ag3 149.97(4) . . ?
Ag6 Ag4 Ag3 60.177(13) . . ?
Ag5 Ag4 Ag3 59.683(13) . . ?
Ag1 Ag4 Ag3 89.655(14) . . ?
C41 Ag5 C51 158.71(19) . . ?
C41 Ag5 S4 94.99(14) . . ?
C51 Ag5 S4 98.93(14) . . ?
C41 Ag5 S1 97.56(14) . . ?
C51 Ag5 S1 91.66(14) . . ?
S4 Ag5 S1 113.28(4) . . ?
C41 Ag5 Ag4 112.54(14) . . ?
C51 Ag5 Ag4 51.70(13) . . ?
S4 Ag5 Ag4 90.22(3) . . ?
S1 Ag5 Ag4 140.17(4) . . ?
C41 Ag5 Ag3 52.20(14) . . ?
C51 Ag5 Ag3 111.97(13) . . ?
S4 Ag5 Ag3 88.44(3) . . ?
S1 Ag5 Ag3 145.45(3) . . ?
Ag4 Ag5 Ag3 60.832(13) . . ?
C41 Ag5 Ag1 110.62(14) . . ?
C51 Ag5 Ag1 50.78(14) . . ?
S4 Ag5 Ag1 146.05(4) . . ?
S1 Ag5 Ag1 85.85(3) . . ?
Ag4 Ag5 Ag1 59.955(13) . . ?
Ag3 Ag5 Ag1 90.099(15) . . ?
C41 Ag5 Ag2 51.06(14) . . ?
C51 Ag5 Ag2 110.18(14) . . ?
S4 Ag5 Ag2 142.46(3) . . ?
S1 Ag5 Ag2 89.62(3) . . ?
Ag4 Ag5 Ag2 89.739(15) . . ?
Ag3 Ag5 Ag2 59.282(13) . . ?
Ag1 Ag5 Ag2 59.750(13) . . ?
C61 Ag6 C71 159.31(19) . . ?
C61 Ag6 S9 94.82(14) . . ?
C71 Ag6 S9 95.48(13) . . ?
C61 Ag6 S12 96.60(14) . . ?
C71 Ag6 S12 96.17(13) . . ?
S9 Ag6 S12 111.74(5) . . ?
C61 Ag6 Ag4 111.72(14) . . ?
C71 Ag6 Ag4 52.23(13) . . ?
S9 Ag6 Ag4 144.17(4) . . ?
S12 Ag6 Ag4 89.41(4) . . ?
C61 Ag6 Ag1 51.99(14) . . ?
C71 Ag6 Ag1 112.03(13) . . ?
S9 Ag6 Ag1 143.54(4) . . ?
S12 Ag6 Ag1 89.35(4) . . ?
Ag4 Ag6 Ag1 60.203(13) . . ?
C61 Ag6 Ag2 51.16(14) . . ?
C71 Ag6 Ag2 111.33(13) . . ?
S9 Ag6 Ag2 88.20(3) . . ?
S12 Ag6 Ag2 144.53(4) . . ?
Ag4 Ag6 Ag2 90.234(15) . . ?
Ag1 Ag6 Ag2 60.235(13) . . ?
C61 Ag6 Ag3 110.17(14) . . ?
C71 Ag6 Ag3 52.34(13) . . ?
S9 Ag6 Ag3 88.36(3) . . ?
S12 Ag6 Ag3 145.20(4) . . ?
Ag4 Ag6 Ag3 60.612(13) . . ?
Ag1 Ag6 Ag3 90.075(15) . . ?
Ag2 Ag6 Ag3 59.308(13) . . ?
C13 S1 C11 98.8(3) . . ?
C13 S1 Ag5 114.1(2) . . ?
C11 S1 Ag5 107.04(19) . . ?
C12 S2 C11 101.0(3) . . ?
C12 S2 Ag2 108.04(19) . . ?
C11 S2 Ag2 109.63(18) . . ?
C13 S3 C12 100.2(3) . . ?
C13 S3 Ag1 106.24(19) . . ?
C12 S3 Ag1 109.2(2) . . ?
S2 C11 S1 117.1(3) . . ?
S2 C12 S3 116.8(3) . . ?
S1 C13 S3 116.5(3) . . ?
C14 S4 C16 99.1(3) . . ?
C14 S4 Ag5 110.72(19) . . ?
C16 S4 Ag5 108.93(19) . . ?
C15 S5 C14 101.0(3) . . ?
C15 S5 Ag3 106.94(18) . . ?
C14 S5 Ag3 107.50(19) . . ?
C16 S6 C15 101.0(3) . . ?
C16 S6 Ag4 109.42(19) . . ?
C15 S6 Ag4 107.77(18) . . ?
S5 C14 S4 117.3(3) . . ?
S5 C15 S6 117.9(3) . . ?
S6 C16 S4 116.7(3) . . ?
C17 S7 C18 100.8(3) . . ?
C17 S7 Ag2 105.78(18) . . ?
C18 S7 Ag2 108.9(2) . . ?
C19 S8 C18 100.2(3) . . ?
C19 S8 Ag3 106.38(19) . . ?
C18 S8 Ag3 109.4(2) . . ?
C19 S9 C17 99.5(3) . . ?
C19 S9 Ag6 110.66(19) . . ?
C17 S9 Ag6 110.5(2) . . ?
S7 C17 S9 117.2(3) . . ?
S8 C18 S7 116.9(3) . . ?
S8 C19 S9 117.9(3) . . ?
C22 S10 C20 100.8(3) . . ?
C22 S10 Ag1 109.4(2) . . ?
C20 S10 Ag1 107.0(2) . . ?
C21 S11 C20 99.9(3) . . ?
C21 S11 Ag4 108.46(19) . . ?
C20 S11 Ag4 109.25(19) . . ?
C21 S12 C22 98.7(3) . . ?
C21 S12 Ag6 110.6(2) . . ?
C22 S12 Ag6 109.6(2) . . ?
S11 C20 S10 116.9(3) . . ?
S12 C21 S11 116.9(3) . . ?
S10 C22 S12 116.5(3) . . ?
C42 C41 Ag5 126.1(5) . . ?
C42 C41 Ag2 131.2(5) . . ?
Ag5 C41 Ag2 79.38(17) . . ?
C42 C41 Ag3 142.5(5) . . ?
Ag5 C41 Ag3 77.98(16) . . ?
Ag2 C41 Ag3 76.42(16) . . ?
C41 C42 C43 179.3(8) . . ?
C42 C43 C44 110.2(8) . . ?
C42 C43 C46 109.2(7) . . ?
C44 C43 C46 108.1(8) . . ?
C42 C43 C45 109.7(6) . . ?
C44 C43 C45 110.7(8) . . ?
C46 C43 C45 108.9(8) . . ?
C52 C51 Ag5 124.5(4) . . ?
C52 C51 Ag1 136.7(4) . . ?
Ag5 C51 Ag1 79.11(16) . . ?
C52 C51 Ag4 137.4(4) . . ?
Ag5 C51 Ag4 78.03(16) . . ?
Ag1 C51 Ag4 77.82(16) . . ?
C51 C52 C53 179.6(7) . . ?
C52 C53 C54 109.2(5) . . ?
C52 C53 C56 110.9(5) . . ?
C54 C53 C56 109.2(6) . . ?
C52 C53 C55 108.9(5) . . ?
C54 C53 C55 109.2(5) . . ?
C56 C53 C55 109.4(6) . . ?
C62 C61 Ag6 130.7(5) . . ?
C62 C61 Ag2 135.8(4) . . ?
Ag6 C61 Ag2 79.04(17) . . ?
C62 C61 Ag1 132.9(4) . . ?
Ag6 C61 Ag1 78.19(16) . . ?
Ag2 C61 Ag1 77.79(17) . . ?
C61 C62 C63 179.1(6) . . ?
C62 C63 C66 109.6(5) . . ?
C62 C63 C65 108.2(6) . . ?
C66 C63 C65 109.0(6) . . ?
C62 C63 C64 110.4(6) . . ?
C66 C63 C64 109.2(6) . . ?
C65 C63 C64 110.4(7) . . ?
C72 C71 Ag6 127.2(4) . . ?
C72 C71 Ag4 134.5(4) . . ?
Ag6 C71 Ag4 77.81(16) . . ?
C72 C71 Ag3 138.5(4) . . ?
Ag6 C71 Ag3 78.25(16) . . ?
Ag4 C71 Ag3 77.22(16) . . ?
C71 C72 C73 178.2(6) . . ?
C72 C73 C75 110.0(4) . . ?
C72 C73 C76 108.6(5) . . ?
C75 C73 C76 109.8(5) . . ?
C72 C73 C74 110.4(4) . . ?
C75 C73 C74 108.8(5) . . ?
C76 C73 C74 109.3(4) . . ?
S13 Ag7 S19 103.02(4) . . ?
S13 Ag7 Ag8 91.59(3) . . ?
S19 Ag7 Ag8 144.81(3) . . ?
S13 Ag7 Ag10 147.87(4) . . ?
S19 Ag7 Ag10 93.99(3) . . ?
Ag8 Ag7 Ag10 89.770(16) . . ?
S13 Ag7 Ag11 144.41(4) . . ?
S19 Ag7 Ag11 92.10(3) . . ?
Ag8 Ag7 Ag11 60.029(15) . . ?
Ag10 Ag7 Ag11 59.847(14) . . ?
S13 Ag7 Ag12 93.23(4) . . ?
S19 Ag7 Ag12 148.29(3) . . ?
Ag8 Ag7 Ag12 59.657(15) . . ?
Ag10 Ag7 Ag12 60.262(14) . . ?
Ag11 Ag7 Ag12 90.052(17) . . ?
S17 Ag8 S15 98.67(5) . . ?
S17 Ag8 Ag12 147.22(4) . . ?
S15 Ag8 Ag12 94.80(4) . . ?
S17 Ag8 Ag7 146.65(5) . . ?
S15 Ag8 Ag7 94.39(4) . . ?
Ag12 Ag8 Ag7 60.534(14) . . ?
S17 Ag8 Ag9 94.50(4) . . ?
S15 Ag8 Ag9 147.51(4) . . ?
Ag12 Ag8 Ag9 60.227(16) . . ?
Ag7 Ag8 Ag9 90.568(16) . . ?
S17 Ag8 Ag11 94.23(4) . . ?
S15 Ag8 Ag11 146.62(4) . . ?
Ag12 Ag8 Ag11 90.621(17) . . ?
Ag7 Ag8 Ag11 60.133(14) . . ?
Ag9 Ag8 Ag11 60.474(16) . . ?
S24 Ag9 S16 102.95(5) . . ?
S24 Ag9 Ag8 148.15(5) . . ?
S16 Ag9 Ag8 91.65(4) . . ?
S24 Ag9 Ag12 94.57(4) . . ?
S16 Ag9 Ag12 144.69(5) . . ?
Ag8 Ag9 Ag12 59.719(15) . . ?
S24 Ag9 Ag10 93.40(3) . . ?
S16 Ag9 Ag10 146.47(5) . . ?
Ag8 Ag9 Ag10 89.351(16) . . ?
Ag12 Ag9 Ag10 60.202(15) . . ?
S24 Ag9 Ag11 145.28(4) . . ?
S16 Ag9 Ag11 92.58(5) . . ?
Ag8 Ag9 Ag11 59.767(15) . . ?
Ag12 Ag9 Ag11 89.917(17) . . ?
Ag10 Ag9 Ag11 59.468(14) . . ?
S22 Ag10 S21 102.67(4) . . ?
S22 Ag10 Ag11 146.95(4) . . ?
S21 Ag10 Ag11 94.90(3) . . ?
S22 Ag10 Ag7 144.88(4) . . ?
S21 Ag10 Ag7 92.07(3) . . ?
Ag11 Ag10 Ag7 60.206(14) . . ?
S22 Ag10 Ag9 92.48(3) . . ?
S21 Ag10 Ag9 149.49(4) . . ?
Ag11 Ag10 Ag9 60.423(15) . . ?
Ag7 Ag10 Ag9 90.310(16) . . ?
S22 Ag10 Ag12 91.51(4) . . ?
S21 Ag10 Ag12 144.17(3) . . ?
Ag11 Ag10 Ag12 90.228(17) . . ?
Ag7 Ag10 Ag12 60.209(14) . . ?
Ag9 Ag10 Ag12 59.785(16) . . ?
S18 Ag11 S20 103.95(5) . . ?
S18 Ag11 Ag10 147.45(4) . . ?
S20 Ag11 Ag10 91.30(3) . . ?
S18 Ag11 Ag8 91.90(4) . . ?
S20 Ag11 Ag8 147.96(3) . . ?
Ag10 Ag11 Ag8 89.718(18) . . ?
S18 Ag11 Ag7 144.71(4) . . ?
S20 Ag11 Ag7 93.47(3) . . ?
Ag10 Ag11 Ag7 59.947(14) . . ?
Ag8 Ag11 Ag7 59.838(14) . . ?
S18 Ag11 Ag9 93.12(4) . . ?
S20 Ag11 Ag9 144.21(4) . . ?
Ag10 Ag11 Ag9 60.110(15) . . ?
Ag8 Ag11 Ag9 59.759(15) . . ?
Ag7 Ag11 Ag9 89.982(18) . . ?
O1 Ag12 S23 72.90(10) . . ?
O1 Ag12 S14 74.62(10) . . ?
S23 Ag12 S14 104.44(5) . . ?
O1 Ag12 Ag8 143.03(9) . . ?
S23 Ag12 Ag8 144.04(4) . . ?
S14 Ag12 Ag8 91.29(4) . . ?
O1 Ag12 Ag9 140.76(10) . . ?
S23 Ag12 Ag9 91.16(4) . . ?
S14 Ag12 Ag9 144.61(4) . . ?
Ag8 Ag12 Ag9 60.054(15) . . ?
O1 Ag12 Ag7 86.36(9) . . ?
S23 Ag12 Ag7 148.16(4) . . ?
S14 Ag12 Ag7 92.55(4) . . ?
Ag8 Ag12 Ag7 59.808(14) . . ?
Ag9 Ag12 Ag7 90.048(18) . . ?
O1 Ag12 Ag10 85.04(9) . . ?
S23 Ag12 Ag10 94.09(4) . . ?
S14 Ag12 Ag10 146.68(4) . . ?
Ag8 Ag12 Ag10 89.433(18) . . ?
Ag9 Ag12 Ag10 60.013(15) . . ?
Ag7 Ag12 Ag10 59.529(14) . . ?
C25 S13 C23 99.7(3) . . ?
C25 S13 Ag7 109.7(2) . . ?
C23 S13 Ag7 108.5(2) . . ?
C23 S14 C24 98.9(3) . . ?
C23 S14 Ag12 107.9(2) . . ?
C24 S14 Ag12 110.2(2) . . ?
C24 S15 C25 99.8(3) . . ?
C24 S15 Ag8 108.6(2) . . ?
C25 S15 Ag8 107.2(2) . . ?
S14 C23 S13 116.9(3) . . ?
S15 C24 S14 116.1(3) . . ?
S13 C25 S15 116.3(3) . . ?
C28 S16 C26 99.5(4) . . ?
C28 S16 Ag9 107.8(2) . . ?
C26 S16 Ag9 110.3(2) . . ?
C27 S17 C26 99.5(4) . . ?
C27 S17 Ag8 107.6(2) . . ?
C26 S17 Ag8 108.1(2) . . ?
C28 S18 C27 100.6(3) . . ?
C28 S18 Ag11 107.1(2) . . ?
C27 S18 Ag11 109.1(2) . . ?
S16 C26 S17 116.4(3) . . ?
S17 C27 S18 116.6(3) . . ?
S16 C28 S18 117.2(4) . . ?
C31 S19 C29 99.3(3) . . ?
C31 S19 Ag7 107.17(17) . . ?
C29 S19 Ag7 110.29(18) . . ?
C30 S20 C29 100.2(3) . . ?
C30 S20 Ag11 109.7(2) . . ?
C29 S20 Ag11 107.48(19) . . ?
C31 S21 C30 99.3(3) . . ?
C31 S21 Ag10 110.26(17) . . ?
C30 S21 Ag10 105.5(2) . . ?
S19 C29 S20 116.5(3) . . ?
S20 C30 S21 116.9(3) . . ?
S19 C31 S21 116.8(3) . . ?
C32 S22 C34 99.5(3) . . ?
C32 S22 Ag10 110.73(19) . . ?
C34 S22 Ag10 108.08(19) . . ?
C33 S23 C32 99.4(3) . . ?
C33 S23 Ag12 111.2(2) . . ?
C32 S23 Ag12 105.7(2) . . ?
C34 S24 C33 99.6(3) . . ?
C34 S24 Ag9 107.82(19) . . ?
C33 S24 Ag9 108.2(2) . . ?
S23 C32 S22 117.0(3) . . ?
S23 C33 S24 116.1(3) . . ?
S24 C34 S22 116.7(3) . . ?
O2 S25 O3 115.0(3) . . ?
O2 S25 O1 114.8(3) . . ?
O3 S25 O1 113.7(2) . . ?
O2 S25 C1 105.3(3) . . ?
O3 S25 C1 103.9(2) . . ?
O1 S25 C1 102.2(3) . . ?
S25 O1 Ag12 118.2(2) . . ?
F3 C1 F1 108.0(5) . . ?
F3 C1 F2 107.6(5) . . ?
F1 C1 F2 107.2(5) . . ?
F3 C1 S25 111.9(4) . . ?
F1 C1 S25 111.0(4) . . ?
F2 C1 S25 110.8(4) . . ?
O6 S26 O5 114.1(3) . . ?
O6 S26 O4 114.8(3) . . ?
O5 S26 O4 114.2(3) . . ?
O6 S26 C2 104.2(3) . . ?
O5 S26 C2 103.5(3) . . ?
O4 S26 C2 104.1(3) . . ?
F6 C2 F5 107.3(7) . . ?
F6 C2 F4 107.4(6) . . ?
F5 C2 F4 108.3(6) . . ?
F6 C2 S26 111.9(5) . . ?
F5 C2 S26 110.1(5) . . ?
F4 C2 S26 111.8(5) . . ?
O7 S27 O9 113.7(4) . . ?
O7 S27 O8 114.7(3) . . ?
O9 S27 O8 114.3(3) . . ?
O7 S27 C3 103.1(3) . . ?
O9 S27 C3 106.7(5) . . ?
O8 S27 C3 102.7(4) . . ?
F9 C3 F7 109.0(8) . . ?
F9 C3 F8 93.4(9) . . ?
F7 C3 F8 117.9(8) . . ?
F9 C3 F81 135.0(12) . . ?
F7 C3 F81 92.5(9) . . ?
F9 C3 S27 111.2(6) . . ?
F7 C3 S27 108.8(7) . . ?
F8 C3 S27 115.5(7) . . ?
F81 C3 S27 97.5(9) . . ?
O12 S28 O11 115.6(4) . . ?
O12 S28 O10 114.1(5) . . ?
O11 S28 O10 113.2(4) . . ?
O12 S28 C4 105.9(5) . . ?
O11 S28 C4 104.8(5) . . ?
O10 S28 C4 101.3(3) . . ?
F10 C4 F11 108.0(9) . . ?
F10 C4 F12 108.7(7) . . ?
F11 C4 F12 107.4(7) . . ?
F10 C4 S28 111.0(5) . . ?
F11 C4 S28 110.7(6) . . ?
F12 C4 S28 110.9(7) . . ?
O15 S29 O14 115.7(3) . . ?
O15 S29 O13 115.7(3) . . ?
O14 S29 O13 114.4(2) . . ?
O15 S29 C5 102.4(3) . . ?
O14 S29 C5 102.6(3) . . ?
O13 S29 C5 103.3(3) . . ?
F15 C5 F13 108.1(5) . . ?
F15 C5 F14 108.1(5) . . ?
F13 C5 F14 107.9(5) . . ?
F15 C5 S29 111.4(4) . . ?
F13 C5 S29 111.9(4) . . ?
F14 C5 S29 109.4(4) . . ?
O18 S30 O16 114.5(3) . . ?
O18 S30 O17 115.3(3) . . ?
O16 S30 O17 115.3(3) . . ?
O18 S30 C6 103.6(3) . . ?
O16 S30 C6 103.0(2) . . ?
O17 S30 C6 102.5(3) . . ?
F18 C6 F16 107.6(5) . . ?
F18 C6 F17 107.7(5) . . ?
F16 C6 F17 107.5(5) . . ?
F18 C6 S30 112.3(4) . . ?
F16 C6 S30 110.7(4) . . ?
F17 C6 S30 110.8(4) . . ?
N1 C81 C82 179.4(9) . . ?
N2 C92 C91 176.0(13) . . ?
N3 C102 C101 170.8(16) . . ?

_refine_diff_density_max         2.355
_refine_diff_density_min         -1.785
_refine_diff_density_rms         0.185

####################################################################### 
# 
# 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_P_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2170054'
loop_
_audit_author_name
_audit_author_address
'Kuan-Guan Liu'
;Ningxia University
China
;
_audit_update_record             
;
2022-05-03 deposited with the CCDC.	2022-06-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            Ag6(3S)4(CF3CO2)4
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H24 Ag6 F12 O8 S12'
_chemical_formula_weight         1652.33

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'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 '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'

_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                   26.1584(5)
_cell_length_b                   10.02650(10)
_cell_length_c                   19.8095(4)
_cell_angle_alpha                90
_cell_angle_beta                 128.008(3)
_cell_angle_gamma                90
_cell_volume                     4093.72(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    40565
_cell_measurement_theta_min      2.8200
_cell_measurement_theta_max      75.6710

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.681
_exptl_crystal_F_000             3160
_exptl_transmission_factor_min   0.056
_exptl_transmission_factor_max   0.097
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    29.221
_shelx_estimated_absorpt_T_min   0.115
_shelx_estimated_absorpt_T_max   0.203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.47321
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.19a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51335
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         4.290
_diffrn_reflns_theta_max         76.090
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4128
_reflns_number_gt                4075
_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       'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.19a (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    Diamond
_computing_publication_material  'Bruker SHELXL'
_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)+(0.0510P)²+49.7933P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.000130(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4128
_refine_ls_number_parameters     274
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0920
_refine_ls_wR_factor_gt          0.0916
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.058
_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 0.09199(2) 0.57815(3) 0.35148(2) 0.01686(11) Uani 1 1 d . . . . .
Ag2 Ag 0.02441(2) 0.57552(3) 0.17247(2) 0.02032(11) Uani 1 1 d . . . . .
Ag3 Ag 0.000000 0.77065(5) 0.250000 0.02145(13) Uani 1 2 d S T P . .
Ag4 Ag 0.000000 0.38246(5) 0.250000 0.02332(13) Uani 1 2 d S T P . .
S1 S 0.11096(8) 0.75856(15) 0.18781(9) 0.0359(3) Uani 1 1 d . . . . .
S2 S 0.09289(7) 0.93806(13) 0.29668(9) 0.0299(3) Uani 1 1 d . . . . .
S3 S 0.19172(6) 0.70710(14) 0.38024(8) 0.0281(3) Uani 1 1 d . . . . .
C1 C 0.1004(3) 0.9251(5) 0.2121(4) 0.0334(13) Uani 1 1 d . . . . .
H1A H 0.061874 0.963342 0.160449 0.040 Uiso 1 1 calc R U . . .
H1B H 0.137136 0.978702 0.227840 0.040 Uiso 1 1 calc R U . . .
C2 C 0.1891(3) 0.7181(6) 0.2873(4) 0.0350(13) Uani 1 1 d . . . . .
H2A H 0.203288 0.633460 0.280286 0.042 Uiso 1 1 calc R U . . .
H2B H 0.220075 0.785342 0.298154 0.042 Uiso 1 1 calc R U . . .
C3 C 0.1724(2) 0.8775(6) 0.3853(3) 0.0280(11) Uani 1 1 d . . . . .
H3A H 0.204591 0.934489 0.390329 0.034 Uiso 1 1 calc R U . . .
H3B H 0.176908 0.888200 0.437376 0.034 Uiso 1 1 calc R U . . .
S4 S 0.16370(5) 0.40171(12) 0.47466(7) 0.0209(2) Uani 1 1 d . . . . .
S5 S 0.04841(6) 0.20919(12) 0.37270(7) 0.0229(2) Uani 1 1 d . . . . .
S6 S 0.04958(6) 0.43443(14) 0.47949(8) 0.0274(3) Uani 1 1 d . . . . .
C4 C 0.1348(2) 0.2331(5) 0.4395(3) 0.0242(10) Uani 1 1 d . . . . .
H4A H 0.150092 0.201622 0.408369 0.029 Uiso 1 1 calc R U . . .
H4B H 0.154609 0.177237 0.489824 0.029 Uiso 1 1 calc R U . . .
C5 C 0.1364(3) 0.4300(5) 0.5378(3) 0.0261(11) Uani 1 1 d . . . . .
H5A H 0.154334 0.514038 0.567888 0.031 Uiso 1 1 calc R U . . .
H5B H 0.154162 0.360234 0.580737 0.031 Uiso 1 1 calc R U . . .
C6 C 0.0316(2) 0.2638(6) 0.4443(3) 0.0314(12) Uani 1 1 d . . . . .
H6A H -0.014074 0.248656 0.416094 0.038 Uiso 1 1 calc R U . . .
H6B H 0.055930 0.207284 0.494731 0.038 Uiso 1 1 calc R U . . .
O1 O 0.11202(17) 0.4491(4) 0.1952(2) 0.0258(7) Uani 1 1 d . . . . .
O2 O 0.10204(18) 0.2747(4) 0.2579(2) 0.0325(9) Uani 1 1 d . . . . .
C11 C 0.1314(2) 0.3498(5) 0.2436(3) 0.0188(9) Uani 1 1 d . . . . .
C12 C 0.2047(2) 0.3206(5) 0.2980(3) 0.0250(10) Uani 1 1 d . . . . .
F1 F 0.21873(16) 0.1910(4) 0.3043(2) 0.0429(9) Uani 1 1 d . . . . .
F2 F 0.23420(15) 0.3821(4) 0.2702(2) 0.0393(8) Uani 1 1 d . . . . .
F3 F 0.23397(15) 0.3654(4) 0.3784(2) 0.0417(9) Uani 1 1 d . . . . .
O3 O 0.12797(17) 0.7180(4) 0.4780(2) 0.0276(8) Uani 1 1 d . . . . .
O4 O 0.0425(5) 0.8459(11) 0.4032(5) 0.045(4) Uani 0.512(17) 1 d . . P A 1
O5 O 0.0260(4) 0.7686(11) 0.4332(7) 0.047(4) Uani 0.488(17) 1 d . . P A 2
C13 C 0.0887(3) 0.7927(6) 0.4728(4) 0.0379(14) Uani 1 1 d . . . . .
C14 C 0.1139(2) 0.8784(5) 0.5510(3) 0.0229(10) Uani 1 1 d . . . . .
F4 F 0.0674(2) 0.9518(5) 0.5424(3) 0.0561(11) Uani 1 1 d . . . . .
F5 F 0.1576(2) 0.9645(5) 0.5651(3) 0.0670(13) Uani 1 1 d . . . . .
F6 F 0.1420(3) 0.8080(5) 0.6219(3) 0.0732(15) 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 O3 2.496(3) . ?
Ag1 S4 2.6392(12) . ?
Ag1 S3 2.6403(12) . ?
Ag1 Ag3 2.7568(5) . ?
Ag1 Ag2 2.7781(5) 2 ?
Ag1 Ag4 2.7793(5) . ?
Ag1 Ag2 2.8249(5) . ?
Ag2 O1 2.406(3) . ?
Ag2 O5 2.543(9) 2 ?
Ag2 S6 2.7628(13) 2 ?
Ag2 Ag4 2.7787(5) . ?
Ag2 S1 2.7819(14) . ?
Ag2 Ag3 2.7932(5) . ?
Ag3 S2 2.6096(13) . ?
Ag3 S2 2.6096(13) 2 ?
Ag4 S5 2.5959(12) 2 ?
Ag4 S5 2.5959(12) . ?
S1 C1 1.805(6) . ?
S1 C2 1.808(6) . ?
S2 C1 1.807(6) . ?
S2 C3 1.811(6) . ?
S3 C3 1.802(6) . ?
S3 C2 1.803(6) . ?
S4 C5 1.805(5) . ?
S4 C4 1.807(5) . ?
S5 C4 1.799(5) . ?
S5 C6 1.809(6) . ?
S6 C6 1.797(6) . ?
S6 C5 1.806(5) . ?
O1 C11 1.252(6) . ?
O2 C11 1.229(6) . ?
C11 C12 1.542(6) . ?
C12 F1 1.336(6) . ?
C12 F2 1.342(6) . ?
C12 F3 1.351(6) . ?
O3 C13 1.221(7) . ?
O4 C13 1.262(10) . ?
O5 C13 1.336(11) . ?
C13 C14 1.523(7) . ?
C14 F5 1.318(7) . ?
C14 F6 1.319(6) . ?
C14 F4 1.338(6) . ?

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
O3 Ag1 S4 80.46(9) . . ?
O3 Ag1 S3 78.28(9) . . ?
S4 Ag1 S3 94.79(4) . . ?
O3 Ag1 Ag3 87.64(9) . . ?
S4 Ag1 Ag3 161.41(3) . . ?
S3 Ag1 Ag3 96.74(3) . . ?
O3 Ag1 Ag2 82.68(8) . 2 ?
S4 Ag1 Ag2 103.40(3) . 2 ?
S3 Ag1 Ag2 151.03(3) . 2 ?
Ag3 Ag1 Ag2 60.615(11) . 2 ?
O3 Ag1 Ag4 138.25(8) . . ?
S4 Ag1 Ag4 90.08(3) . . ?
S3 Ag1 Ag4 143.34(3) . . ?
Ag3 Ag1 Ag4 89.347(14) . . ?
Ag2 Ag1 Ag4 59.999(10) 2 . ?
O3 Ag1 Ag2 145.42(9) . . ?
S4 Ag1 Ag2 133.91(3) . . ?
S3 Ag1 Ag2 92.69(3) . . ?
Ag3 Ag1 Ag2 60.041(10) . . ?
Ag2 Ag1 Ag2 90.722(13) 2 . ?
Ag4 Ag1 Ag2 59.441(10) . . ?
O1 Ag2 O5 120.4(3) . 2 ?
O1 Ag2 S6 83.21(9) . 2 ?
O1 Ag2 Ag1 148.68(9) . 2 ?
S6 Ag2 Ag1 81.95(3) 2 2 ?
O1 Ag2 Ag4 92.64(9) . . ?
O5 Ag2 Ag4 143.7(2) 2 . ?
S6 Ag2 Ag4 90.01(3) 2 . ?
Ag1 Ag2 Ag4 60.020(10) 2 . ?
O1 Ag2 S1 73.13(10) . . ?
O5 Ag2 S1 64.03(19) 2 . ?
S6 Ag2 S1 115.71(4) 2 . ?
Ag1 Ag2 S1 138.16(4) 2 . ?
Ag4 Ag2 S1 147.97(3) . . ?
O1 Ag2 Ag3 141.24(9) . . ?
O5 Ag2 Ag3 75.0(3) 2 . ?
S6 Ag2 Ag3 135.54(3) 2 . ?
Ag1 Ag2 Ag3 59.314(10) 2 . ?
Ag4 Ag2 Ag3 88.622(14) . . ?
S1 Ag2 Ag3 85.64(3) . . ?
O1 Ag2 Ag1 88.98(9) . . ?
O5 Ag2 Ag1 129.2(3) 2 . ?
S6 Ag2 Ag1 148.16(3) 2 . ?
Ag1 Ag2 Ag1 89.267(13) 2 . ?
Ag4 Ag2 Ag1 59.462(10) . . ?
S1 Ag2 Ag1 91.06(3) . . ?
Ag3 Ag2 Ag1 58.769(10) . . ?
S2 Ag3 S2 99.94(6) . 2 ?
S2 Ag3 Ag1 89.30(3) . . ?
S2 Ag3 Ag1 155.92(3) 2 . ?
S2 Ag3 Ag1 155.92(3) . 2 ?
S2 Ag3 Ag1 89.29(3) 2 2 ?
Ag1 Ag3 Ag1 91.124(19) . 2 ?
S2 Ag3 Ag2 99.62(3) . . ?
S2 Ag3 Ag2 137.22(3) 2 . ?
Ag1 Ag3 Ag2 61.190(12) . . ?
Ag1 Ag3 Ag2 60.072(12) 2 . ?
S2 Ag3 Ag2 137.22(3) . 2 ?
S2 Ag3 Ag2 99.62(3) 2 2 ?
Ag1 Ag3 Ag2 60.070(12) . 2 ?
Ag1 Ag3 Ag2 61.189(12) 2 2 ?
Ag2 Ag3 Ag2 91.073(19) . 2 ?
S5 Ag4 S5 95.99(6) 2 . ?
S5 Ag4 Ag2 146.94(3) 2 2 ?
S5 Ag4 Ag2 95.41(3) . 2 ?
S5 Ag4 Ag2 95.41(3) 2 . ?
S5 Ag4 Ag2 146.94(3) . . ?
Ag2 Ag4 Ag2 91.684(19) 2 . ?
S5 Ag4 Ag1 148.83(3) 2 . ?
S5 Ag4 Ag1 95.12(3) . . ?
Ag2 Ag4 Ag1 59.980(12) 2 . ?
Ag2 Ag4 Ag1 61.097(12) . . ?
S5 Ag4 Ag1 95.13(3) 2 2 ?
S5 Ag4 Ag1 148.82(3) . 2 ?
Ag2 Ag4 Ag1 61.097(13) 2 2 ?
Ag2 Ag4 Ag1 59.981(12) . 2 ?
Ag1 Ag4 Ag1 90.182(19) . 2 ?
C1 S1 C2 99.9(3) . . ?
C1 S1 Ag2 113.0(2) . . ?
C2 S1 Ag2 105.63(19) . . ?
C1 S2 C3 99.1(3) . . ?
C1 S2 Ag3 103.55(18) . . ?
C3 S2 Ag3 113.03(18) . . ?
C3 S3 C2 99.4(3) . . ?
C3 S3 Ag1 101.71(16) . . ?
C2 S3 Ag1 113.5(2) . . ?
S1 C1 S2 115.8(3) . . ?
S3 C2 S1 115.7(3) . . ?
S3 C3 S2 117.3(3) . . ?
C5 S4 C4 99.5(2) . . ?
C5 S4 Ag1 100.16(17) . . ?
C4 S4 Ag1 112.34(16) . . ?
C4 S5 C6 100.7(2) . . ?
C4 S5 Ag4 105.48(17) . . ?
C6 S5 Ag4 108.52(18) . . ?
C6 S6 C5 98.6(2) . . ?
C6 S6 Ag2 102.97(17) . 2 ?
C5 S6 Ag2 118.10(17) . 2 ?
S5 C4 S4 116.5(3) . . ?
S4 C5 S6 116.0(3) . . ?
S6 C6 S5 117.4(3) . . ?
C11 O1 Ag2 117.0(3) . . ?
O2 C11 O1 130.4(4) . . ?
O2 C11 C12 114.1(4) . . ?
O1 C11 C12 115.5(4) . . ?
F1 C12 F2 106.9(4) . . ?
F1 C12 F3 106.8(4) . . ?
F2 C12 F3 106.3(4) . . ?
F1 C12 C11 113.7(4) . . ?
F2 C12 C11 114.0(4) . . ?
F3 C12 C11 108.6(4) . . ?
C13 O3 Ag1 118.8(3) . . ?
C13 O5 Ag2 116.6(5) . 2 ?
O3 C13 O4 122.8(6) . . ?
O3 C13 O5 127.1(6) . . ?
O3 C13 C14 116.5(5) . . ?
O4 C13 C14 113.3(6) . . ?
O5 C13 C14 107.7(6) . . ?
F5 C14 F6 106.5(5) . . ?
F5 C14 F4 105.6(5) . . ?
F6 C14 F4 107.3(5) . . ?
F5 C14 C13 111.1(5) . . ?
F6 C14 C13 112.9(5) . . ?
F4 C14 C13 113.1(4) . . ?

_refine_diff_density_max         2.911
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.173

