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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2008619'
loop_
_audit_author_name
_audit_author_address
'Huiyeong Ju'
;Gyeongsang National University
South Korea
;
_audit_update_record             
;
2020-06-08 deposited with the CCDC.	2020-09-24 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         'C60 H66 Ag O12 S9, F6 P'
_chemical_formula_sum            'C60 H66 Ag F6 O12 P S9'
_chemical_formula_weight         1520.50

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'
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'
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'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c :H'
_space_group_name_Hall           '-R 3 2"c'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   21.9383(2)
_cell_length_b                   21.9383(2)
_cell_length_c                   46.0355(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     19188.0(4)
_cell_formula_units_Z            12
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9345
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.16

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_F_000             9384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.294
_exptl_crystal_size_mid          0.191
_exptl_crystal_size_min          0.175
_exptl_absorpt_coefficient_mu    0.712
_shelx_estimated_absorpt_T_min   0.818
_shelx_estimated_absorpt_T_max   0.885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7013
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?
_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            63688
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_theta_min         1.390
_diffrn_reflns_theta_max         25.997
_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             4205
_reflns_number_gt                3633
_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)+(0.0333P)²+68.6431P] 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         4205
_refine_ls_number_parameters     278
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0805
_refine_ls_wR_factor_gt          0.0739
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.059
_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 0.3333 0.6667 0.02339(2) 0.03303(10) Uani 1 3 d S T P . .
S1 S 0.25403(3) 0.92070(3) 0.0833 0.02816(18) Uani 1 2 d S T P . .
S2 S 0.11903(3) 0.69336(3) 0.15943(2) 0.03011(14) Uani 1 1 d . . . . .
S3 S -0.10858(4) 0.55809(4) 0.0833 0.0330(2) Uani 1 2 d S T P . .
S4 S 0.20381(3) 0.58806(3) 0.01086(2) 0.02684(13) Uani 1 1 d . . . . .
O1 O 0.19265(8) 0.76551(8) 0.10275(3) 0.0228(3) Uani 1 1 d . . . . .
O2 O 0.25385(9) 0.71046(10) 0.06104(4) 0.0387(4) Uani 1 1 d . . . . .
O3 O 0.07872(9) 0.61433(10) -0.00091(3) 0.0371(4) Uani 1 1 d . . . . .
O4 O 0.00521(8) 0.65491(8) 0.03796(3) 0.0276(3) Uani 1 1 d . . . . .
C1 C 0.20090(11) 0.87691(11) 0.11395(5) 0.0233(4) Uani 1 1 d . . . . .
C2 C 0.18771(11) 0.91808(12) 0.13315(5) 0.0263(5) Uani 1 1 d . . . . .
H2A H 0.2034 0.9659 0.1285 0.032 Uiso 1 1 calc R U . . .
C3 C 0.15207(12) 0.88996(12) 0.15879(5) 0.0271(5) Uani 1 1 d . . . . .
H3A H 0.1444 0.9187 0.1720 0.033 Uiso 1 1 calc R U . . .
C4 C 0.12751(11) 0.81995(12) 0.16518(5) 0.0266(5) Uani 1 1 d . . . . .
H4A H 0.1012 0.8002 0.1825 0.032 Uiso 1 1 calc R U . . .
C5 C 0.14091(11) 0.77799(11) 0.14653(4) 0.0233(4) Uani 1 1 d . . . . .
C6 C 0.17906(11) 0.80685(11) 0.12094(4) 0.0211(4) Uani 1 1 d . . . . .
C7 C 0.07190(11) 0.63313(11) 0.13110(5) 0.0247(5) Uani 1 1 d . . . . .
C8 C 0.09343(12) 0.58524(12) 0.12380(5) 0.0277(5) Uani 1 1 d . . . . .
H8A H 0.1351 0.5896 0.1320 0.033 Uiso 1 1 calc R U . . .
C9 C 0.05397(13) 0.53118(12) 0.10449(5) 0.0307(5) Uani 1 1 d . . . . .
H9A H 0.0677 0.4975 0.0999 0.037 Uiso 1 1 calc R U . . .
C10 C -0.00528(13) 0.52630(12) 0.09188(5) 0.0313(5) Uani 1 1 d . . . . .
H10A H -0.0315 0.4897 0.0784 0.038 Uiso 1 1 calc R U . . .
C11 C -0.02733(12) 0.57414(11) 0.09865(5) 0.0269(5) Uani 1 1 d . . . . .
C12 C 0.01008(11) 0.62653(11) 0.11949(5) 0.0243(4) Uani 1 1 d . . . . .
C13 C 0.26195(13) 0.77376(14) 0.10614(6) 0.0359(6) Uani 1 1 d . . . . .
H13A H 0.2724 0.7734 0.1270 0.043 Uiso 1 1 calc R U . . .
H13B H 0.2977 0.8196 0.0979 0.043 Uiso 1 1 calc R U . . .
C14 C 0.26561(13) 0.71593(14) 0.09113(5) 0.0341(5) Uani 1 1 d . . . . .
H14A H 0.3127 0.7218 0.0947 0.041 Uiso 1 1 calc R U . . .
H14B H 0.2306 0.6709 0.1002 0.041 Uiso 1 1 calc R U . . .
C15 C 0.18169(12) 0.66912(12) 0.05306(5) 0.0294(5) Uani 1 1 d . . . . .
H15A H 0.1718 0.6927 0.0369 0.035 Uiso 1 1 calc R U . . .
H15B H 0.1521 0.6664 0.0698 0.035 Uiso 1 1 calc R U . . .
C16 C 0.16160(12) 0.59519(12) 0.04375(5) 0.0272(5) Uani 1 1 d . . . . .
H16A H 0.1100 0.5681 0.0408 0.033 Uiso 1 1 calc R U . . .
H16B H 0.1729 0.5725 0.0598 0.033 Uiso 1 1 calc R U . . .
C17 C 0.19270(12) 0.64300(13) -0.01561(5) 0.0301(5) Uani 1 1 d . . . . .
H17A H 0.2110 0.6905 -0.0072 0.036 Uiso 1 1 calc R U . . .
H17B H 0.2218 0.6479 -0.0329 0.036 Uiso 1 1 calc R U . . .
C18 C 0.11839(13) 0.61636(14) -0.02539(5) 0.0343(5) Uani 1 1 d . . . . .
H18A H 0.1170 0.6480 -0.0404 0.041 Uiso 1 1 calc R U . . .
H18B H 0.0987 0.5687 -0.0338 0.041 Uiso 1 1 calc R U . . .
C19 C 0.00956(13) 0.59995(14) -0.00690(5) 0.0347(5) Uani 1 1 d . . . . .
H19A H -0.0157 0.5568 -0.0188 0.042 Uiso 1 1 calc R U . . .
H19B H 0.0108 0.6396 -0.0177 0.042 Uiso 1 1 calc R U . . .
C20 C -0.02659(12) 0.59006(12) 0.02180(5) 0.0312(5) Uani 1 1 d . . . . .
H20A H -0.0770 0.5739 0.0186 0.037 Uiso 1 1 calc R U . . .
H20B H -0.0234 0.5534 0.0331 0.037 Uiso 1 1 calc R U . . .
P1 P 0.3333 0.6667 0.1667 0.0215(3) Uani 1 6 d S T P . .
F1 F 0.26479(7) 0.62803(8) 0.14668(3) 0.0368(3) Uani 1 1 d . . . . .
P2 P 0.3333 0.6667 -0.0833 0.0365(4) Uani 1 6 d DS T P . .
F2 F 0.3333 0.6667 -0.04871(6) 0.0518(7) Uani 1 3 d S T P . .
F3 F 0.26150(15) 0.59483(15) -0.0833 0.179(7) Uani 0.6667 2 d DS T P . .
F4 F 0.2780(5) 0.6906(4) -0.08251(16) 0.075(3) Uani 0.3333 1 d . . 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 S4 2.5458(6) 3_565 ?
Ag1 S4 2.5458(6) 2_665 ?
Ag1 S4 2.5458(6) . ?
S1 C1 1.774(2) 16_454 ?
S1 C1 1.774(2) . ?
S2 C5 1.772(2) . ?
S2 C7 1.775(2) . ?
S3 C11 1.781(2) . ?
S3 C11 1.781(2) 16_454 ?
S4 C17 1.814(2) . ?
S4 C16 1.822(2) . ?
O1 C6 1.372(2) . ?
O1 C13 1.447(3) . ?
O2 C14 1.403(3) . ?
O2 C15 1.424(3) . ?
O3 C18 1.411(3) . ?
O3 C19 1.414(3) . ?
O4 C12 1.370(3) 16_454 ?
O4 C20 1.439(3) . ?
C1 C2 1.394(3) . ?
C1 C6 1.400(3) . ?
C2 C3 1.379(3) . ?
C3 C4 1.381(3) . ?
C4 C5 1.394(3) . ?
C5 C6 1.400(3) . ?
C7 C8 1.391(3) . ?
C7 C12 1.396(3) . ?
C8 C9 1.385(3) . ?
C9 C10 1.378(3) . ?
C10 C11 1.393(3) . ?
C11 C12 1.404(3) . ?
C12 O4 1.369(3) 16_454 ?
C13 C14 1.482(3) . ?
C15 C16 1.514(3) . ?
C17 C18 1.500(3) . ?
C19 C20 1.500(3) . ?
P1 F1 1.5973(13) . ?
P1 F1 1.5974(13) 3_565 ?
P1 F1 1.5974(13) 2_665 ?
P1 F1 1.5974(13) 27 ?
P1 F1 1.5974(13) 25_565 ?
P1 F1 1.5975(13) 26_455 ?
P2 F4 1.545(8) 10_454 ?
P2 F4 1.545(8) . ?
P2 F4 1.545(8) 3_565 ?
P2 F4 1.545(7) 2_665 ?
P2 F4 1.545(8) 12_554 ?
P2 F4 1.545(8) 11_564 ?
P2 F3 1.576(3) 3_565 ?
P2 F3 1.576(3) . ?
P2 F3 1.576(3) 2_665 ?
P2 F2 1.594(3) . ?
P2 F2 1.594(3) 10_454 ?
F3 F4 1.142(8) 2_665 ?
F3 F4 1.142(8) 11_564 ?
F4 F4 0.911(14) 11_564 ?
F4 F3 1.142(8) 3_565 ?

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 S4 115.018(11) 3_565 2_665 ?
S4 Ag1 S4 115.019(11) 3_565 . ?
S4 Ag1 S4 115.018(11) 2_665 . ?
C1 S1 C1 106.37(14) 16_454 . ?
C5 S2 C7 106.60(10) . . ?
C11 S3 C11 106.34(14) . 16_454 ?
C17 S4 C16 104.96(11) . . ?
C17 S4 Ag1 100.22(8) . . ?
C16 S4 Ag1 101.33(8) . . ?
C6 O1 C13 114.43(16) . . ?
C14 O2 C15 114.05(18) . . ?
C18 O3 C19 115.30(18) . . ?
C12 O4 C20 115.33(16) 16_454 . ?
C2 C1 C6 119.9(2) . . ?
C2 C1 S1 116.48(17) . . ?
C6 C1 S1 123.27(17) . . ?
C3 C2 C1 120.5(2) . . ?
C2 C3 C4 119.9(2) . . ?
C3 C4 C5 120.6(2) . . ?
C4 C5 C6 119.7(2) . . ?
C4 C5 S2 116.72(17) . . ?
C6 C5 S2 122.92(17) . . ?
O1 C6 C1 121.16(19) . . ?
O1 C6 C5 119.54(19) . . ?
C1 C6 C5 119.28(19) . . ?
C8 C7 C12 120.5(2) . . ?
C8 C7 S2 116.64(17) . . ?
C12 C7 S2 122.18(17) . . ?
C9 C8 C7 119.9(2) . . ?
C10 C9 C8 119.9(2) . . ?
C9 C10 C11 121.1(2) . . ?
C10 C11 C12 119.2(2) . . ?
C10 C11 S3 116.93(17) . . ?
C12 C11 S3 123.37(18) . . ?
O4 C12 C7 118.73(19) 16_454 . ?
O4 C12 C11 122.2(2) 16_454 . ?
C7 C12 C11 119.1(2) . . ?
O1 C13 C14 110.24(19) . . ?
O2 C14 C13 116.6(2) . . ?
O2 C15 C16 113.00(19) . . ?
C15 C16 S4 116.03(16) . . ?
C18 C17 S4 115.08(17) . . ?
O3 C18 C17 107.80(18) . . ?
O3 C19 C20 106.93(18) . . ?
O4 C20 C19 110.64(19) . . ?
F1 P1 F1 90.14(7) . 3_565 ?
F1 P1 F1 90.14(7) . 2_665 ?
F1 P1 F1 90.14(7) 3_565 2_665 ?
F1 P1 F1 89.86(7) . 27 ?
F1 P1 F1 180.0 3_565 27 ?
F1 P1 F1 89.86(7) 2_665 27 ?
F1 P1 F1 180.0 . 25_565 ?
F1 P1 F1 89.86(7) 3_565 25_565 ?
F1 P1 F1 89.86(7) 2_665 25_565 ?
F1 P1 F1 90.14(7) 27 25_565 ?
F1 P1 F1 89.86(7) . 26_455 ?
F1 P1 F1 89.86(7) 3_565 26_455 ?
F1 P1 F1 180.0 2_665 26_455 ?
F1 P1 F1 90.13(7) 27 26_455 ?
F1 P1 F1 90.13(7) 25_565 26_455 ?
F4 P2 F4 154.2(6) 10_454 . ?
F4 P2 F4 85.8(6) 10_454 3_565 ?
F4 P2 F4 119.94(2) . 3_565 ?
F4 P2 F4 34.3(6) 10_454 2_665 ?
F4 P2 F4 119.94(2) . 2_665 ?
F4 P2 F4 119.94(2) 3_565 2_665 ?
F4 P2 F4 119.95(2) 10_454 12_554 ?
F4 P2 F4 85.8(6) . 12_554 ?
F4 P2 F4 34.3(6) 3_565 12_554 ?
F4 P2 F4 154.2(6) 2_665 12_554 ?
F4 P2 F4 119.94(2) 10_454 11_564 ?
F4 P2 F4 34.3(6) . 11_564 ?
F4 P2 F4 154.2(6) 3_565 11_564 ?
F4 P2 F4 85.8(6) 2_665 11_564 ?
F4 P2 F4 119.93(2) 12_554 11_564 ?
F4 P2 F3 162.8(3) 10_454 3_565 ?
F4 P2 F3 42.9(3) . 3_565 ?
F4 P2 F3 77.1(3) 3_565 3_565 ?
F4 P2 F3 162.8(3) 2_665 3_565 ?
F4 P2 F3 42.9(3) 12_554 3_565 ?
F4 P2 F3 77.1(3) 11_564 3_565 ?
F4 P2 F3 77.1(3) 10_454 . ?
F4 P2 F3 77.1(3) . . ?
F4 P2 F3 162.8(3) 3_565 . ?
F4 P2 F3 42.9(3) 2_665 . ?
F4 P2 F3 162.8(3) 12_554 . ?
F4 P2 F3 42.9(3) 11_564 . ?
F3 P2 F3 120.002(1) 3_565 . ?
F4 P2 F3 42.9(3) 10_454 2_665 ?
F4 P2 F3 162.8(3) . 2_665 ?
F4 P2 F3 42.9(3) 3_565 2_665 ?
F4 P2 F3 77.1(3) 2_665 2_665 ?
F4 P2 F3 77.1(3) 12_554 2_665 ?
F4 P2 F3 162.8(3) 11_564 2_665 ?
F3 P2 F3 120.0 3_565 2_665 ?
F3 P2 F3 119.998(1) . 2_665 ?
F4 P2 F2 91.4(3) 10_454 . ?
F4 P2 F2 88.6(3) . . ?
F4 P2 F2 88.6(3) 3_565 . ?
F4 P2 F2 88.6(3) 2_665 . ?
F4 P2 F2 91.4(3) 12_554 . ?
F4 P2 F2 91.4(3) 11_564 . ?
F3 P2 F2 90.0 3_565 . ?
F3 P2 F2 90.0 . . ?
F3 P2 F2 90.0 2_665 . ?
F4 P2 F2 88.6(3) 10_454 10_454 ?
F4 P2 F2 91.4(3) . 10_454 ?
F4 P2 F2 91.4(3) 3_565 10_454 ?
F4 P2 F2 91.4(3) 2_665 10_454 ?
F4 P2 F2 88.6(3) 12_554 10_454 ?
F4 P2 F2 88.6(3) 11_564 10_454 ?
F3 P2 F2 90.0 3_565 10_454 ?
F3 P2 F2 90.0 . 10_454 ?
F3 P2 F2 90.0 2_665 10_454 ?
F2 P2 F2 180.0 . 10_454 ?
F4 F3 F4 134.2(8) 2_665 11_564 ?
F4 F3 P2 67.1(4) 2_665 . ?
F4 F3 P2 67.1(4) 11_564 . ?
F4 F4 F3 142.4(4) 11_564 3_565 ?
F4 F4 P2 72.8(3) 11_564 . ?
F3 F4 P2 70.0(5) 3_565 . ?

_refine_diff_density_max         1.308
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.063

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2008620'
loop_
_audit_author_name
_audit_author_address
'Huiyeong Ju'
;Gyeongsang National University
South Korea
;
_audit_update_record             
;
2020-06-08 deposited with the CCDC.	2020-09-24 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         'C62 H66 Ag F3 O14 S9, 3(C H Cl3), (O H2)'
_chemical_formula_sum            'C65 H71 Ag Cl9 F3 O15 S9'
_chemical_formula_weight         1864.67

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'
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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

_cell_length_a                   29.7592(3)
_cell_length_b                   26.2631(3)
_cell_length_c                   20.0331(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15657.2(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9996
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      22.98

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_F_000             7616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.226
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.873
_shelx_estimated_absorpt_T_min   0.827
_shelx_estimated_absorpt_T_max   0.880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8271
_exptl_absorpt_correction_T_max  0.8802
_exptl_absorpt_process_details   ?
_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            247090
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.034
_diffrn_reflns_theta_max         25.998
_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             15400
_reflns_number_gt                11560
_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)+(0.1005P)²+74.2509P] 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         15400
_refine_ls_number_parameters     966
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0678
_refine_ls_wR_factor_ref         0.2117
_refine_ls_wR_factor_gt          0.1878
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.000
_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 0.09663(2) 0.25377(2) 0.12744(2) 0.03965(14) Uani 1 1 d . . . . .
S1 S 0.17194(5) -0.09048(6) 0.06198(7) 0.0391(3) Uani 1 1 d . . . . .
S2 S 0.16972(5) -0.07384(5) 0.33941(7) 0.0367(3) Uani 1 1 d . . . . .
S3 S 0.29785(5) 0.08109(6) 0.33007(7) 0.0398(3) Uani 1 1 d . . . . .
S4 S 0.30126(5) 0.06265(6) 0.05277(7) 0.0402(3) Uani 1 1 d . . . . .
S5 S 0.08859(5) 0.16820(5) 0.18994(7) 0.0384(3) Uani 1 1 d . . . . .
S6 S 0.39268(5) -0.16688(5) 0.19972(7) 0.0366(3) Uani 1 1 d . . . . .
S7 S 0.0000 0.41862(7) -0.2500 0.0363(4) Uani 1 2 d S T P . .
S8 S -0.13425(5) 0.27055(6) -0.24060(9) 0.0445(4) Uani 1 1 d . . . . .
S9 S 0.0000 0.12304(8) -0.2500 0.0527(6) Uani 1 2 d S T P . .
S10 S 0.01950(5) 0.26180(6) 0.06448(7) 0.0362(3) Uani 1 1 d . . . . .
O1 O 0.15399(12) -0.03696(12) 0.19676(17) 0.0281(7) Uani 1 1 d . . . . .
O2 O 0.08570(14) 0.04460(15) 0.1703(2) 0.0430(10) Uani 1 1 d . . . . .
O3 O 0.19456(14) 0.16197(14) 0.2247(2) 0.0414(9) Uani 1 1 d . . . . .
O4 O 0.26003(13) 0.09124(14) 0.19104(18) 0.0341(8) Uani 1 1 d . . . . .
O5 O 0.26244(12) -0.02928(13) 0.31142(16) 0.0289(8) Uani 1 1 d . . . . .
O6 O 0.34184(15) -0.08915(18) 0.2974(2) 0.0503(11) Uani 1 1 d . . . . .
O7 O 0.34957(14) -0.09499(17) 0.0827(2) 0.0443(10) Uani 1 1 d . . . . .
O8 O 0.26730(12) -0.04366(13) 0.07911(17) 0.0305(8) Uani 1 1 d . . . . .
O9 O -0.05146(12) 0.33004(13) -0.18756(17) 0.0294(8) Uani 1 1 d . . . . .
O10 O -0.04642(13) 0.30548(17) -0.0472(2) 0.0432(10) Uani 1 1 d . . . . .
O11 O 0.04849(15) 0.18331(19) -0.0573(2) 0.0510(11) Uani 1 1 d . . . . .
O12 O 0.05919(12) 0.20590(15) -0.1932(2) 0.0377(9) Uani 1 1 d . . . . .
C1 C 0.18901(18) -0.10916(19) 0.1432(3) 0.0302(11) Uani 1 1 d . . . . .
C2 C 0.20986(19) -0.1564(2) 0.1496(3) 0.0389(13) Uani 1 1 d . . . . .
H2A H 0.2181 -0.1750 0.1108 0.047 Uiso 1 1 calc R U . . .
C3 C 0.21860(19) -0.1764(2) 0.2119(3) 0.0407(14) Uani 1 1 d . . . . .
H3A H 0.2318 -0.2092 0.2156 0.049 Uiso 1 1 calc R U . . .
C4 C 0.20850(18) -0.1493(2) 0.2684(3) 0.0360(12) Uani 1 1 d . . . . .
H4A H 0.2155 -0.1631 0.3110 0.043 Uiso 1 1 calc R U . . .
C5 C 0.18802(17) -0.10185(19) 0.2638(3) 0.0288(11) Uani 1 1 d . . . . .
C6 C 0.17705(16) -0.08237(18) 0.2009(3) 0.0263(10) Uani 1 1 d . . . . .
C7 C 0.18662(18) -0.00910(19) 0.3404(2) 0.0293(11) Uani 1 1 d . . . . .
C8 C 0.1551(2) 0.0255(2) 0.3638(2) 0.0344(12) Uani 1 1 d . . . . .
H8A H 0.1252 0.0148 0.3720 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1673(2) 0.0760(2) 0.3752(3) 0.0380(13) Uani 1 1 d . . . . .
H9A H 0.1461 0.0993 0.3932 0.046 Uiso 1 1 calc R U . . .
C10 C 0.2103(2) 0.0921(2) 0.3602(3) 0.0364(13) Uani 1 1 d . . . . .
H10A H 0.2180 0.1269 0.3658 0.044 Uiso 1 1 calc R U . . .
C11 C 0.24244(19) 0.0578(2) 0.3370(2) 0.0309(11) Uani 1 1 d . . . . .
C12 C 0.23068(18) 0.00623(19) 0.3293(2) 0.0275(10) Uani 1 1 d . . . . .
C13 C 0.32066(18) 0.05666(19) 0.2542(3) 0.0312(11) Uani 1 1 d . . . . .
C14 C 0.36186(19) 0.0332(2) 0.2571(3) 0.0376(13) Uani 1 1 d . . . . .
H14A H 0.3755 0.0273 0.2992 0.045 Uiso 1 1 calc R U . . .
C15 C 0.38364(19) 0.0183(2) 0.1996(3) 0.0380(13) Uani 1 1 d . . . . .
H15A H 0.4127 0.0033 0.2019 0.046 Uiso 1 1 calc R U . . .
C16 C 0.3629(2) 0.0252(2) 0.1389(3) 0.0389(13) Uani 1 1 d . . . . .
H16A H 0.3771 0.0132 0.0994 0.047 Uiso 1 1 calc R U . . .
C17 C 0.32153(19) 0.04920(19) 0.1343(3) 0.0329(12) Uani 1 1 d . . . . .
C18 C 0.30041(18) 0.06627(19) 0.1925(3) 0.0308(11) Uani 1 1 d . . . . .
C19 C 0.24515(19) 0.0405(2) 0.0498(2) 0.0322(11) Uani 1 1 d . . . . .
C20 C 0.2124(2) 0.0737(2) 0.0255(3) 0.0397(13) Uani 1 1 d . . . . .
H20A H 0.2201 0.1082 0.0169 0.048 Uiso 1 1 calc R U . . .
C21 C 0.1690(2) 0.0570(2) 0.0139(3) 0.0425(14) Uani 1 1 d . . . . .
H21A H 0.1472 0.0796 -0.0040 0.051 Uiso 1 1 calc R U . . .
C22 C 0.1576(2) 0.0077(2) 0.0284(3) 0.0385(13) Uani 1 1 d . . . . .
H22A H 0.1275 -0.0033 0.0222 0.046 Uiso 1 1 calc R U . . .
C23 C 0.18946(18) -0.0262(2) 0.0521(2) 0.0321(11) Uani 1 1 d . . . . .
C24 C 0.23364(18) -0.01082(19) 0.0603(2) 0.0282(11) Uani 1 1 d . . . . .
C25 C 0.10597(19) -0.0446(2) 0.1919(3) 0.0380(13) Uani 1 1 d . . . . .
H25A H 0.0969 -0.0737 0.2203 0.046 Uiso 1 1 calc R U . . .
H25B H 0.0977 -0.0525 0.1452 0.046 Uiso 1 1 calc R U . . .
C26 C 0.0819(2) 0.0029(2) 0.2144(3) 0.0401(13) Uani 1 1 d . . . . .
H26A H 0.0496 -0.0052 0.2203 0.048 Uiso 1 1 calc R U . . .
H26B H 0.0939 0.0131 0.2585 0.048 Uiso 1 1 calc R U . . .
C27 C 0.1275(2) 0.0716(2) 0.1758(3) 0.0369(12) Uani 1 1 d . . . . .
H27A H 0.1519 0.0521 0.1538 0.044 Uiso 1 1 calc R U . . .
H27B H 0.1356 0.0763 0.2234 0.044 Uiso 1 1 calc R U . . .
C28 C 0.1216(2) 0.1225(2) 0.1424(3) 0.0382(13) Uani 1 1 d . . . . .
H28A H 0.1069 0.1172 0.0986 0.046 Uiso 1 1 calc R U . . .
H28B H 0.1517 0.1373 0.1339 0.046 Uiso 1 1 calc R U . . .
C29 C 0.1215(2) 0.1777(2) 0.2652(3) 0.0440(14) Uani 1 1 d . . . . .
H29A H 0.1046 0.2010 0.2950 0.053 Uiso 1 1 calc R U . . .
H29B H 0.1241 0.1446 0.2885 0.053 Uiso 1 1 calc R U . . .
C30 C 0.1673(2) 0.1987(2) 0.2560(3) 0.0451(15) Uani 1 1 d . . . . .
H30A H 0.1659 0.2298 0.2283 0.054 Uiso 1 1 calc R U . . .
H30B H 0.1802 0.2079 0.2999 0.054 Uiso 1 1 calc R U . . .
C31 C 0.2389(2) 0.1782(2) 0.2131(4) 0.0484(15) Uani 1 1 d . . . . .
H31A H 0.2559 0.1785 0.2556 0.058 Uiso 1 1 calc R U . . .
H31B H 0.2389 0.2132 0.1947 0.058 Uiso 1 1 calc R U . . .
C32 C 0.2607(2) 0.1425(2) 0.1647(3) 0.0443(14) Uani 1 1 d . . . . .
H32A H 0.2444 0.1436 0.1216 0.053 Uiso 1 1 calc R U . . .
H32B H 0.2921 0.1532 0.1566 0.053 Uiso 1 1 calc R U . . .
C33 C 0.2875(2) -0.0474(2) 0.3682(3) 0.0406(13) Uani 1 1 d . . . . .
H33A H 0.2667 -0.0543 0.4057 0.049 Uiso 1 1 calc R U . . .
H33B H 0.3091 -0.0209 0.3827 0.049 Uiso 1 1 calc R U . . .
C34 C 0.3121(2) -0.0946(3) 0.3502(3) 0.0482(16) Uani 1 1 d . . . . .
H34A H 0.3290 -0.1065 0.3898 0.058 Uiso 1 1 calc R U . . .
H34B H 0.2899 -0.1213 0.3387 0.058 Uiso 1 1 calc R U . . .
C35 C 0.3233(2) -0.0998(2) 0.2330(3) 0.0412(14) Uani 1 1 d . . . . .
H35A H 0.3353 -0.0748 0.2006 0.049 Uiso 1 1 calc R U . . .
H35B H 0.2903 -0.0952 0.2350 0.049 Uiso 1 1 calc R U . . .
C36 C 0.33323(18) -0.1527(2) 0.2079(3) 0.0347(12) Uani 1 1 d . . . . .
H36A H 0.3187 -0.1571 0.1638 0.042 Uiso 1 1 calc R U . . .
H36B H 0.3196 -0.1776 0.2389 0.042 Uiso 1 1 calc R U . . .
C37 C 0.41403(19) -0.1171(2) 0.1457(3) 0.0406(13) Uani 1 1 d . . . . .
H37A H 0.4095 -0.0840 0.1683 0.049 Uiso 1 1 calc R U . . .
H37B H 0.4468 -0.1221 0.1406 0.049 Uiso 1 1 calc R U . . .
C38 C 0.3936(2) -0.1138(2) 0.0771(3) 0.0424(14) Uani 1 1 d . . . . .
H38A H 0.4118 -0.0909 0.0487 0.051 Uiso 1 1 calc R U . . .
H38B H 0.3932 -0.1480 0.0561 0.051 Uiso 1 1 calc R U . . .
C39 C 0.3260(2) -0.0888(3) 0.0235(3) 0.0566(18) Uani 1 1 d . . . . .
H39A H 0.3315 -0.1189 -0.0052 0.068 Uiso 1 1 calc R U . . .
H39B H 0.3380 -0.0586 -0.0001 0.068 Uiso 1 1 calc R U . . .
C40 C 0.2791(2) -0.0828(3) 0.0316(4) 0.061(2) Uani 1 1 d . . . . .
H40A H 0.2660 -0.1156 0.0465 0.073 Uiso 1 1 calc R U . . .
H40B H 0.2656 -0.0743 -0.0122 0.073 Uiso 1 1 calc R U . . .
C41 C -0.04118(17) 0.37899(19) -0.2872(2) 0.0283(11) Uani 1 1 d . . . . .
C42 C -0.05529(19) 0.3926(2) -0.3507(3) 0.0350(12) Uani 1 1 d . . . . .
H42A H -0.0398 0.4186 -0.3744 0.042 Uiso 1 1 calc R U . . .
C43 C -0.09159(19) 0.3687(2) -0.3796(3) 0.0394(14) Uani 1 1 d . . . . .
H43A H -0.1016 0.3789 -0.4226 0.047 Uiso 1 1 calc R U . . .
C44 C -0.11336(19) 0.3300(2) -0.3464(3) 0.0411(14) Uani 1 1 d . . . . .
H44A H -0.1378 0.3130 -0.3672 0.049 Uiso 1 1 calc R U . . .
C45 C -0.09984(17) 0.3154(2) -0.2824(3) 0.0330(12) Uani 1 1 d . . . . .
C46 C -0.06430(17) 0.34129(19) -0.2520(3) 0.0287(11) Uani 1 1 d . . . . .
C47 C -0.09688(18) 0.2263(2) -0.2035(3) 0.0361(12) Uani 1 1 d . . . . .
C48 C -0.10360(19) 0.2146(2) -0.1358(3) 0.0403(13) Uani 1 1 d . . . . .
H48A H -0.1260 0.2323 -0.1113 0.048 Uiso 1 1 calc R U . . .
C49 C -0.0781(2) 0.1781(2) -0.1048(3) 0.0398(13) Uani 1 1 d . . . . .
H49A H -0.0837 0.1697 -0.0595 0.048 Uiso 1 1 calc R U . . .
C50 C -0.0442(2) 0.1535(2) -0.1401(3) 0.0418(14) Uani 1 1 d . . . . .
H50A H -0.0254 0.1297 -0.1179 0.050 Uiso 1 1 calc R U . . .
C51 C -0.03769(19) 0.1634(2) -0.2064(3) 0.0395(13) Uani 1 1 d . . . . .
C52 C -0.06488(18) 0.1989(2) -0.2395(3) 0.0351(12) Uani 1 1 d . . . . .
C53 C -0.0792(2) 0.3543(3) -0.1382(3) 0.0432(15) Uani 1 1 d . . . . .
H53A H -0.1082 0.3360 -0.1344 0.052 Uiso 1 1 calc R U . . .
H53B H -0.0856 0.3898 -0.1519 0.052 Uiso 1 1 calc R U . . .
C54 C -0.0557(2) 0.3541(2) -0.0725(3) 0.0450(15) Uani 1 1 d . . . . .
H54A H -0.0271 0.3730 -0.0772 0.054 Uiso 1 1 calc R U . . .
H54B H -0.0745 0.3727 -0.0398 0.054 Uiso 1 1 calc R U . . .
C55 C -0.00487(18) 0.2841(3) -0.0679(3) 0.0408(14) Uani 1 1 d . . . . .
H55A H 0.0048 0.3004 -0.1101 0.049 Uiso 1 1 calc R U . . .
H55B H -0.0090 0.2473 -0.0766 0.049 Uiso 1 1 calc R U . . .
C56 C 0.03173(18) 0.2913(2) -0.0151(3) 0.0336(12) Uani 1 1 d . . . . .
H56A H 0.0363 0.3282 -0.0079 0.040 Uiso 1 1 calc R U . . .
H56B H 0.0602 0.2770 -0.0324 0.040 Uiso 1 1 calc R U . . .
C57 C 0.0092(2) 0.1954(2) 0.0433(3) 0.0468(15) Uani 1 1 d . . . . .
H57A H 0.0018 0.1768 0.0848 0.056 Uiso 1 1 calc R U . . .
H57B H -0.0175 0.1938 0.0139 0.056 Uiso 1 1 calc R U . . .
C58 C 0.0467(2) 0.1687(2) 0.0096(3) 0.0477(16) Uani 1 1 d . . . . .
H58A H 0.0754 0.1772 0.0319 0.057 Uiso 1 1 calc R U . . .
H58B H 0.0422 0.1314 0.0127 0.057 Uiso 1 1 calc R U . . .
C59 C 0.0848(3) 0.1660(3) -0.0921(4) 0.065(2) Uani 1 1 d . . . . .
H59A H 0.0795 0.1299 -0.1038 0.077 Uiso 1 1 calc R U . . .
H59B H 0.1113 0.1671 -0.0622 0.077 Uiso 1 1 calc R U . . .
C60 C 0.0955(3) 0.1921(6) -0.1501(5) 0.115(5) Uani 1 1 d . . . . .
H60A H 0.1168 0.1709 -0.1760 0.138 Uiso 1 1 calc R U . . .
H60B H 0.1116 0.2237 -0.1374 0.138 Uiso 1 1 calc R U . . .
Cl1 Cl 0.02705(7) -0.01712(8) 0.37842(12) 0.0735(6) Uani 1 1 d . . . . .
Cl2 Cl 0.03158(8) 0.08661(8) 0.33290(11) 0.0701(5) Uani 1 1 d . . . . .
Cl3 Cl 0.04313(9) 0.06443(10) 0.47207(12) 0.0910(8) Uani 1 1 d . . . . .
Cl4 Cl 0.15935(7) 0.31186(9) 0.49663(10) 0.0701(5) Uani 1 1 d . . . . .
Cl5 Cl 0.11919(9) 0.29412(8) 0.36789(10) 0.0767(6) Uani 1 1 d . . . . .
Cl6 Cl 0.14135(12) 0.20915(8) 0.45355(13) 0.1019(10) Uani 1 1 d . . . . .
Cl7 Cl 0.03520(9) 0.37787(11) 0.40556(15) 0.0986(9) Uani 1 1 d . . . . .
Cl8 Cl 0.03132(11) 0.46378(15) 0.3180(2) 0.1329(14) Uani 1 1 d . . . . .
Cl9 Cl 0.09026(10) 0.46984(18) 0.43432(18) 0.1372(15) Uani 1 1 d . . . . .
C61 C 0.0146(3) 0.0471(3) 0.3977(4) 0.0611(19) Uani 1 1 d . . . . .
H61A H -0.0185 0.0508 0.4045 0.073 Uiso 1 1 calc R U . . .
C62 C 0.1216(3) 0.2726(3) 0.4502(4) 0.063(2) Uani 1 1 d . . . . .
H62A H 0.0910 0.2744 0.4706 0.075 Uiso 1 1 calc R U . . .
C63 C 0.0658(4) 0.4286(4) 0.3686(5) 0.097(3) Uani 1 1 d . . . . .
H63A H 0.0908 0.4141 0.3411 0.117 Uiso 1 1 calc R U . . .
C65 C 0.1725(3) 0.2519(3) 0.0319(5) 0.071(2) Uani 1 1 d . . . . .
C64 C 0.2114(3) 0.2474(3) -0.0143(5) 0.068(2) Uani 1 1 d . . . . .
O1W O -0.0174(2) 0.5035(3) 0.4359(4) 0.099(2) Uani 1 1 d . . . . .
F1 F 0.2184(8) 0.2050(6) -0.0376(12) 0.100(7) Uani 0.53(3) 1 d . . P A 1
F2 F 0.2051(10) 0.2809(17) -0.0636(16) 0.207(19) Uani 0.53(3) 1 d . . P A 1
F3 F 0.2485(4) 0.2616(14) 0.0159(16) 0.163(14) Uani 0.53(3) 1 d . . P A 1
O13 O 0.1637(7) 0.2273(10) 0.0733(15) 0.142(11) Uani 0.53(3) 1 d . . P A 1
O14 O 0.1410(5) 0.2793(8) -0.0024(10) 0.086(6) Uani 0.53(3) 1 d . . P A 1
F1' F 0.2394(10) 0.2148(18) 0.003(3) 0.22(3) Uani 0.47(3) 1 d . . P A 2
F2' F 0.1978(13) 0.224(2) -0.0685(18) 0.22(2) Uani 0.47(3) 1 d . . P A 2
F3' F 0.2283(10) 0.2868(7) -0.0348(18) 0.132(11) Uani 0.47(3) 1 d . . P A 2
O13' O 0.1920(10) 0.2553(10) 0.0963(8) 0.113(9) Uani 0.47(3) 1 d . . P A 2
O14' O 0.1388(6) 0.2521(10) 0.0253(10) 0.086(6) Uani 0.47(3) 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 O13 2.376(18) . ?
Ag1 O14' 2.400(19) . ?
Ag1 S6 2.5574(15) 8_665 ?
Ag1 S5 2.5836(14) . ?
Ag1 S10 2.6276(14) . ?
S1 C1 1.774(6) . ?
S1 C23 1.778(6) . ?
S2 C5 1.771(5) . ?
S2 C7 1.773(5) . ?
S3 C11 1.764(6) . ?
S3 C13 1.785(5) . ?
S4 C19 1.769(6) . ?
S4 C17 1.777(6) . ?
S5 C29 1.814(6) . ?
S5 C28 1.820(6) . ?
S6 C37 1.812(6) . ?
S6 C36 1.815(5) . ?
S6 Ag1 2.5574(15) 8_655 ?
S7 C41 1.772(5) 3_554 ?
S7 C41 1.772(5) . ?
S8 C45 1.771(6) . ?
S8 C47 1.772(6) . ?
S9 C51 1.774(6) . ?
S9 C51 1.774(6) 3_554 ?
S10 C56 1.809(5) . ?
S10 C57 1.821(6) . ?
O1 C6 1.378(6) . ?
O1 C25 1.446(6) . ?
O2 C26 1.412(7) . ?
O2 C27 1.437(7) . ?
O3 C31 1.407(8) . ?
O3 C30 1.408(7) . ?
O4 C18 1.369(7) . ?
O4 C32 1.447(7) . ?
O5 C12 1.375(6) . ?
O5 C33 1.441(6) . ?
O6 C34 1.387(8) . ?
O6 C35 1.431(7) . ?
O7 C39 1.387(8) . ?
O7 C38 1.406(7) . ?
O8 C24 1.374(6) . ?
O8 C40 1.444(7) . ?
O9 C46 1.378(6) . ?
O9 C53 1.438(6) . ?
O10 C54 1.402(7) . ?
O10 C55 1.420(7) . ?
O11 C59 1.365(8) . ?
O11 C58 1.395(7) . ?
O12 C52 1.371(7) 3_554 ?
O12 C60 1.430(9) . ?
C1 C2 1.394(8) . ?
C1 C6 1.399(7) . ?
C2 C3 1.377(9) . ?
C3 C4 1.370(8) . ?
C4 C5 1.391(7) . ?
C5 C6 1.399(7) . ?
C7 C8 1.387(8) . ?
C7 C12 1.390(7) . ?
C8 C9 1.394(8) . ?
C9 C10 1.378(9) . ?
C10 C11 1.394(8) . ?
C11 C12 1.408(7) . ?
C13 C14 1.373(8) . ?
C13 C18 1.397(8) . ?
C14 C15 1.378(8) . ?
C15 C16 1.377(9) . ?
C16 C17 1.386(8) . ?
C17 C18 1.398(7) . ?
C19 C20 1.393(8) . ?
C19 C24 1.408(7) . ?
C20 C21 1.386(9) . ?
C21 C22 1.369(9) . ?
C22 C23 1.385(8) . ?
C23 C24 1.385(8) . ?
C25 C26 1.507(8) . ?
C27 C28 1.508(7) . ?
C29 C30 1.482(9) . ?
C31 C32 1.495(9) . ?
C33 C34 1.485(8) . ?
C35 C36 1.505(8) . ?
C37 C38 1.504(9) . ?
C39 C40 1.415(10) . ?
C41 C42 1.387(7) . ?
C41 C46 1.397(7) . ?
C42 C43 1.377(8) . ?
C43 C44 1.377(9) . ?
C44 C45 1.398(8) . ?
C45 C46 1.397(7) . ?
C47 C52 1.394(8) . ?
C47 C48 1.404(9) . ?
C48 C49 1.371(9) . ?
C49 C50 1.392(9) . ?
C50 C51 1.367(9) . ?
C51 C52 1.401(8) . ?
C52 O12 1.371(7) 3_554 ?
C53 C54 1.490(8) . ?
C55 C56 1.530(7) . ?
C57 C58 1.481(10) . ?
C59 C60 1.385(12) . ?
Cl1 C61 1.769(8) . ?
Cl2 C61 1.737(8) . ?
Cl3 C61 1.775(8) . ?
Cl4 C62 1.787(8) . ?
Cl5 C62 1.745(8) . ?
Cl6 C62 1.768(8) . ?
Cl7 C63 1.776(10) . ?
Cl8 C63 1.714(11) . ?
Cl9 C63 1.853(12) . ?
C65 O14' 1.012(18) . ?
C65 O13 1.082(17) . ?
C65 O14 1.37(2) . ?
C65 O13' 1.42(2) . ?
C65 C64 1.488(12) . ?
C64 F3' 1.221(17) . ?
C64 F1 1.225(16) . ?
C64 F1' 1.245(19) . ?
C64 F3 1.311(16) . ?
C64 F2' 1.32(3) . ?
C64 F2 1.34(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
O13 Ag1 S6 113.1(9) . 8_665 ?
O14' Ag1 S6 115.6(6) . 8_665 ?
O13 Ag1 S5 92.6(5) . . ?
O14' Ag1 S5 116.4(6) . . ?
S6 Ag1 S5 116.48(5) 8_665 . ?
O13 Ag1 S10 122.6(8) . . ?
O14' Ag1 S10 92.8(5) . . ?
S6 Ag1 S10 108.37(5) 8_665 . ?
S5 Ag1 S10 102.80(5) . . ?
C1 S1 C23 106.3(2) . . ?
C5 S2 C7 108.7(2) . . ?
C11 S3 C13 107.3(2) . . ?
C19 S4 C17 106.6(2) . . ?
C29 S5 C28 103.6(3) . . ?
C29 S5 Ag1 103.5(2) . . ?
C28 S5 Ag1 105.62(19) . . ?
C37 S6 C36 104.3(3) . . ?
C37 S6 Ag1 101.9(2) . 8_655 ?
C36 S6 Ag1 109.9(2) . 8_655 ?
C41 S7 C41 108.1(3) 3_554 . ?
C45 S8 C47 105.7(2) . . ?
C51 S9 C51 106.6(4) . 3_554 ?
C56 S10 C57 103.8(3) . . ?
C56 S10 Ag1 106.35(18) . . ?
C57 S10 Ag1 100.5(2) . . ?
C6 O1 C25 112.1(4) . . ?
C26 O2 C27 113.8(4) . . ?
C31 O3 C30 114.0(5) . . ?
C18 O4 C32 116.2(4) . . ?
C12 O5 C33 112.0(4) . . ?
C34 O6 C35 114.9(5) . . ?
C39 O7 C38 116.3(5) . . ?
C24 O8 C40 116.3(4) . . ?
C46 O9 C53 112.9(4) . . ?
C54 O10 C55 115.3(5) . . ?
C59 O11 C58 115.4(5) . . ?
C52 O12 C60 117.8(5) 3_554 . ?
C2 C1 C6 119.0(5) . . ?
C2 C1 S1 117.3(4) . . ?
C6 C1 S1 123.1(4) . . ?
C3 C2 C1 120.4(5) . . ?
C4 C3 C2 120.6(5) . . ?
C3 C4 C5 120.4(5) . . ?
C4 C5 C6 119.4(5) . . ?
C4 C5 S2 116.8(4) . . ?
C6 C5 S2 123.2(4) . . ?
O1 C6 C5 119.1(4) . . ?
O1 C6 C1 120.8(5) . . ?
C5 C6 C1 120.0(5) . . ?
C8 C7 C12 120.1(5) . . ?
C8 C7 S2 116.2(4) . . ?
C12 C7 S2 122.9(4) . . ?
C7 C8 C9 120.2(5) . . ?
C10 C9 C8 119.8(5) . . ?
C9 C10 C11 120.8(5) . . ?
C10 C11 C12 119.2(5) . . ?
C10 C11 S3 116.4(4) . . ?
C12 C11 S3 123.8(4) . . ?
O5 C12 C7 119.6(4) . . ?
O5 C12 C11 120.7(5) . . ?
C7 C12 C11 119.7(5) . . ?
C14 C13 C18 120.2(5) . . ?
C14 C13 S3 117.7(4) . . ?
C18 C13 S3 121.6(4) . . ?
C13 C14 C15 120.8(5) . . ?
C16 C15 C14 119.3(5) . . ?
C15 C16 C17 121.1(5) . . ?
C16 C17 C18 119.4(5) . . ?
C16 C17 S4 116.9(4) . . ?
C18 C17 S4 123.4(4) . . ?
O4 C18 C13 118.9(5) . . ?
O4 C18 C17 122.0(5) . . ?
C13 C18 C17 119.0(5) . . ?
C20 C19 C24 118.8(5) . . ?
C20 C19 S4 117.8(4) . . ?
C24 C19 S4 122.6(4) . . ?
C21 C20 C19 120.9(5) . . ?
C22 C21 C20 119.6(6) . . ?
C21 C22 C23 120.7(6) . . ?
C22 C23 C24 120.3(5) . . ?
C22 C23 S1 116.6(4) . . ?
C24 C23 S1 122.8(4) . . ?
O8 C24 C23 122.8(5) . . ?
O8 C24 C19 117.7(5) . . ?
C23 C24 C19 119.5(5) . . ?
O1 C25 C26 109.6(4) . . ?
O2 C26 C25 114.6(5) . . ?
O2 C27 C28 107.6(5) . . ?
C27 C28 S5 114.5(4) . . ?
C30 C29 S5 116.4(4) . . ?
O3 C30 C29 109.4(5) . . ?
O3 C31 C32 108.8(5) . . ?
O4 C32 C31 110.0(5) . . ?
O5 C33 C34 109.8(5) . . ?
O6 C34 C33 114.4(5) . . ?
O6 C35 C36 114.0(5) . . ?
C35 C36 S6 114.3(4) . . ?
C38 C37 S6 116.5(4) . . ?
O7 C38 C37 108.9(5) . . ?
O7 C39 C40 114.4(6) . . ?
C39 C40 O8 113.3(6) . . ?
C42 C41 C46 119.8(5) . . ?
C42 C41 S7 116.3(4) . . ?
C46 C41 S7 123.0(4) . . ?
C43 C42 C41 120.4(5) . . ?
C44 C43 C42 120.2(5) . . ?
C43 C44 C45 120.7(5) . . ?
C46 C45 C44 118.9(5) . . ?
C46 C45 S8 123.8(4) . . ?
C44 C45 S8 116.7(4) . . ?
O9 C46 C41 119.2(5) . . ?
O9 C46 C45 120.9(5) . . ?
C41 C46 C45 119.9(5) . . ?
C52 C47 C48 119.0(5) . . ?
C52 C47 S8 123.4(5) . . ?
C48 C47 S8 117.3(4) . . ?
C49 C48 C47 120.7(6) . . ?
C48 C49 C50 119.8(6) . . ?
C51 C50 C49 120.5(6) . . ?
C50 C51 C52 120.3(6) . . ?
C50 C51 S9 117.1(5) . . ?
C52 C51 S9 121.9(5) . . ?
O12 C52 C47 121.5(5) 3_554 . ?
O12 C52 C51 118.9(5) 3_554 . ?
C47 C52 C51 119.5(6) . . ?
O9 C53 C54 109.6(5) . . ?
O10 C54 C53 114.5(5) . . ?
O10 C55 C56 111.7(5) . . ?
C55 C56 S10 114.4(4) . . ?
C58 C57 S10 115.7(4) . . ?
O11 C58 C57 109.5(5) . . ?
O11 C59 C60 116.5(7) . . ?
C59 C60 O12 117.3(8) . . ?
Cl2 C61 Cl1 110.2(4) . . ?
Cl2 C61 Cl3 109.5(4) . . ?
Cl1 C61 Cl3 109.1(4) . . ?
Cl5 C62 Cl6 110.8(4) . . ?
Cl5 C62 Cl4 109.3(4) . . ?
Cl6 C62 Cl4 108.4(5) . . ?
Cl8 C63 Cl7 110.1(6) . . ?
Cl8 C63 Cl9 109.9(7) . . ?
Cl7 C63 Cl9 110.1(5) . . ?
O13 C65 O14 122.2(16) . . ?
O14' C65 O13' 121.7(16) . . ?
O14' C65 C64 133.7(16) . . ?
O13 C65 C64 128.1(14) . . ?
O14 C65 C64 105.2(11) . . ?
O13' C65 C64 104.6(13) . . ?
F3' C64 F1' 113.7(19) . . ?
F1 C64 F3 107.1(13) . . ?
F3' C64 F2' 105(2) . . ?
F1' C64 F2' 96(3) . . ?
F1 C64 F2 110(2) . . ?
F3 C64 F2 106(2) . . ?
F3' C64 C65 117.5(12) . . ?
F1 C64 C65 116.2(12) . . ?
F1' C64 C65 113.7(17) . . ?
F3 C64 C65 110.2(13) . . ?
F2' C64 C65 108.1(16) . . ?
F2 C64 C65 107.3(14) . . ?
C65 O13 Ag1 112.2(13) . . ?
C65 O14' Ag1 114.0(15) . . ?

_refine_diff_density_max         3.333
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.124

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2008621'
loop_
_audit_author_name
_audit_author_address
'Huiyeong Ju'
;Gyeongsang National University
South Korea
;
_audit_update_record             
;
2020-06-08 deposited with the CCDC.	2020-09-24 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(C128 H130 Ag4 F12 O32 S18), 2(C3.5 H4), 2(C0.5 H0.5 Cl1.5), 2(C0.5 H2.0 O0.5)'
_chemical_formula_sum            'C265 H273 Ag8 Cl3 F24 O65 P0 S36'
_chemical_formula_weight         7077.29

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'
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'
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      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 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'

_cell_length_a                   29.0458(15)
_cell_length_b                   26.4503(14)
_cell_length_c                   19.6654(11)
_cell_angle_alpha                90
_cell_angle_beta                 98.978(3)
_cell_angle_gamma                90
_cell_volume                     14923.2(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5626
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      17.47

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_F_000             7204
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.168
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.125
_exptl_absorpt_coefficient_mu    0.882
_shelx_estimated_absorpt_T_min   0.866
_shelx_estimated_absorpt_T_max   0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5560
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?
_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            74128
_diffrn_reflns_av_unetI/netI     0.1426
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.047
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.793
_diffrn_reflns_point_group_measured_fraction_full 0.803
_reflns_number_total             23286
_reflns_number_gt                12811
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.591
_reflns_Friedel_fraction_max     0.590
_reflns_Friedel_fraction_full    0.608

_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)+(0.1034P)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 
; 
 Flack x determined using 3372 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.02(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         23286
_refine_ls_number_parameters     1864
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_gt           0.0743
_refine_ls_wR_factor_ref         0.2129
_refine_ls_wR_factor_gt          0.1657
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.008
_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 0.47864(5) 0.17393(5) 0.86902(7) 0.0523(4) Uani 1 1 d . . . . .
Ag2 Ag 0.61572(6) 0.24339(5) 0.96973(9) 0.0679(5) Uani 1 1 d . . . . .
Ag3 Ag 0.53004(6) 0.34504(7) 0.83105(9) 0.0761(5) Uani 1 1 d . . . . .
Ag4 Ag 0.87581(5) -0.20320(5) 1.07435(7) 0.0514(4) Uani 1 1 d . . . . .
S1 S 0.18916(19) 0.08361(19) 1.0464(2) 0.0574(13) Uani 1 1 d . . . . .
S2 S 0.32643(18) -0.06366(18) 1.0617(2) 0.0555(13) Uani 1 1 d . . . . .
S3 S 0.31287(18) -0.0647(2) 0.7751(2) 0.0613(14) Uani 1 1 d . . . . .
S4 S 0.16330(18) 0.06892(19) 0.7609(2) 0.0557(13) Uani 1 1 d . . . . .
S5 S 0.40554(16) 0.17555(16) 0.9239(2) 0.0457(10) Uani 1 1 d . . . . .
S6 S 0.10731(16) -0.18214(16) 0.8891(2) 0.0464(11) Uani 1 1 d . . . . .
S7 S 0.65688(18) -0.07758(18) 1.0869(2) 0.0545(12) Uani 1 1 d . . . . .
S8 S 0.63554(16) -0.08158(17) 0.8007(2) 0.0476(11) Uani 1 1 d . . . . .
S9 S 0.77567(18) 0.06276(18) 0.8063(2) 0.0528(12) Uani 1 1 d . . . . .
S10 S 0.79206(16) 0.07284(17) 1.0911(2) 0.0490(11) Uani 1 1 d . . . . .
S11 S 0.56141(15) 0.16860(16) 0.9363(2) 0.0440(10) Uani 1 1 d . . . . .
S12 S 0.86858(16) -0.18363(16) 0.9489(2) 0.0447(10) Uani 1 1 d . . . . .
S13 S 0.34377(16) 0.25928(18) 0.4561(3) 0.0537(12) Uani 1 1 d . . . . .
S14 S 0.47363(17) 0.41496(16) 0.4735(3) 0.0529(12) Uani 1 1 d . . . . .
S15 S 0.61843(16) 0.27482(16) 0.4895(3) 0.0502(12) Uani 1 1 d . . . . .
S16 S 0.48845(16) 0.11863(15) 0.4837(3) 0.0499(11) Uani 1 1 d . . . . .
S17 S 0.48493(17) 0.25754(16) 0.7996(2) 0.0475(11) Uani 1 1 d . . . . .
S18 S 0.45331(16) 0.28117(17) 0.1496(2) 0.0481(11) Uani 1 1 d . . . . .
F1 F 0.4807(8) 0.0021(6) 0.7632(11) 0.151(7) Uani 1 1 d . . . . .
F2 F 0.5005(7) 0.0352(7) 0.6793(9) 0.140(7) Uani 1 1 d . . . . .
F3 F 0.4341(7) 0.0396(9) 0.6937(14) 0.218(15) Uani 1 1 d . . . . .
F4 F 0.7142(10) 0.2455(12) 1.2036(15) 0.226(13) Uani 1 1 d . . . . .
F5 F 0.7593(6) 0.2157(7) 1.1433(9) 0.134(7) Uani 1 1 d . . . . .
F6 F 0.7516(10) 0.3008(6) 1.1763(13) 0.192(11) Uani 1 1 d . . . . .
F7 F 0.3826(8) 0.4405(9) 0.7794(15) 0.194(10) Uani 1 1 d . . . . .
F8 F 0.4210(10) 0.4740(7) 0.7083(12) 0.182(10) Uani 1 1 d . . . . .
F9 F 0.4335(7) 0.4991(6) 0.8072(10) 0.145(7) Uani 1 1 d . . . . .
F10 F 0.7212(7) -0.2833(9) 1.1362(9) 0.159(9) Uani 1 1 d . . . . .
F11 F 0.7328(8) -0.2181(7) 1.1851(13) 0.179(10) Uani 1 1 d . . . . .
F12 F 0.7713(6) -0.2850(9) 1.2172(9) 0.172(10) Uani 1 1 d . . . . .
O1 O 0.2858(4) 0.0430(4) 1.0345(5) 0.044(3) Uani 1 1 d . . . . .
O2 O 0.3639(4) 0.1204(4) 1.0535(5) 0.045(3) Uani 1 1 d . . . . .
O3 O 0.3178(5) 0.1314(5) 0.8191(7) 0.071(4) Uani 1 1 d . . . . .
O4 O 0.2673(4) 0.0359(4) 0.7983(5) 0.049(3) Uani 1 1 d . . . . .
O5 O 0.1634(4) 0.0290(4) 0.9070(6) 0.046(3) Uani 1 1 d . . . . .
O6 O 0.1024(6) -0.0620(6) 0.8805(15) 0.164(13) Uani 1 1 d . . . . .
O7 O 0.2138(5) -0.1666(5) 0.8665(8) 0.076(4) Uani 1 1 d . . . . .
O8 O 0.2791(4) -0.0849(4) 0.9124(6) 0.045(3) Uani 1 1 d . . . . .
O9 O 0.7436(4) 0.0893(4) 0.9452(5) 0.038(3) Uani 1 1 d . . . . .
O10 O 0.6696(4) 0.1721(4) 0.9198(6) 0.054(3) Uani 1 1 d . . . . .
O11 O 0.5683(4) 0.0476(4) 0.9686(7) 0.056(3) Uani 1 1 d . . . . .
O12 O 0.6298(4) -0.0329(4) 0.9426(5) 0.044(3) Uani 1 1 d . . . . .
O13 O 0.7511(4) -0.0355(4) 1.0636(5) 0.041(3) Uani 1 1 d . . . . .
O14 O 0.8340(4) -0.1116(4) 1.0679(5) 0.047(3) Uani 1 1 d . . . . .
O15 O 0.7854(4) -0.1378(4) 0.8418(5) 0.046(3) Uani 1 1 d . . . . .
O16 O 0.7340(4) -0.0439(4) 0.8301(5) 0.041(3) Uani 1 1 d . . . . .
O17 O 0.4267(4) 0.2036(4) 0.5333(6) 0.043(3) Uani 1 1 d . . . . .
O18 O 0.4134(4) 0.2210(4) 0.6704(6) 0.053(3) Uani 1 1 d . . . . .
O19 O 0.5486(4) 0.3150(4) 0.6990(6) 0.053(3) Uani 1 1 d . . . . .
O20 O 0.5361(4) 0.3311(4) 0.5414(5) 0.041(3) Uani 1 1 d . . . . .
O21 O 0.5339(4) 0.2122(4) 0.4245(6) 0.039(3) Uani 1 1 d . . . . .
O22 O 0.5125(5) 0.2099(5) 0.2666(7) 0.072(4) Uani 1 1 d . . . . .
O23 O 0.4232(4) 0.3512(5) 0.2664(6) 0.057(3) Uani 1 1 d . . . . .
O24 O 0.4167(4) 0.3286(4) 0.4038(6) 0.042(3) Uani 1 1 d . . . . .
O25 O 0.4630(9) 0.0951(9) 0.8072(14) 0.154(9) Uani 1 1 d . U . . .
O26 O 0.5169(8) 0.1156(8) 0.7494(9) 0.113(6) Uani 1 1 d . . . . .
O27 O 0.6610(9) 0.2242(10) 1.0795(13) 0.139(10) Uani 1 1 d . . . . .
O28 O 0.7087(14) 0.2890(7) 1.0435(11) 0.204(17) Uani 1 1 d . . . . .
O29 O 0.4863(9) 0.4092(9) 0.7537(17) 0.169(11) Uani 1 1 d . . . . .
O30 O 0.4714(13) 0.4021(13) 0.843(2) 0.220(14) Uani 1 1 d . U . . .
O31 O 0.8303(5) -0.2301(6) 1.1505(8) 0.079(4) Uani 1 1 d . . . . .
O32 O 0.7772(7) -0.2435(6) 1.0585(9) 0.095(5) Uani 1 1 d . . . . .
C1 C 0.2096(6) 0.0195(6) 1.0518(8) 0.042(4) Uani 1 1 d . . . . .
C2 C 0.1797(6) -0.0153(8) 1.0689(8) 0.051(5) Uani 1 1 d . . . . .
H2A H 0.1487 -0.0055 1.0726 0.061 Uiso 1 1 calc R U . . .
C3 C 0.1930(8) -0.0655(7) 1.0814(8) 0.059(6) Uani 1 1 d . . . . .
H3A H 0.1722 -0.0897 1.0954 0.071 Uiso 1 1 calc R U . . .
C4 C 0.2385(7) -0.0788(7) 1.0725(8) 0.051(5) Uani 1 1 d . . . . .
H4A H 0.2484 -0.1129 1.0787 0.061 Uiso 1 1 calc R U . . .
C5 C 0.2685(6) -0.0431(7) 1.0550(7) 0.040(4) Uani 1 1 d . . . . .
C6 C 0.2549(6) 0.0063(6) 1.0462(7) 0.039(4) Uani 1 1 d . . . . .
C7 C 0.3459(6) -0.0454(6) 0.9845(9) 0.041(4) Uani 1 1 d . . . . .
C8 C 0.3877(7) -0.0218(7) 0.9860(10) 0.056(5) Uani 1 1 d . . . . .
H8A H 0.4040 -0.0121 1.0297 0.067 Uiso 1 1 calc R U . . .
C9 C 0.4073(7) -0.0113(6) 0.9310(10) 0.050(5) Uani 1 1 d . . . . .
H9A H 0.4378 0.0026 0.9358 0.060 Uiso 1 1 calc R U . . .
C10 C 0.3819(7) -0.0212(6) 0.8658(11) 0.058(5) Uani 1 1 d . . . . .
H10A H 0.3941 -0.0115 0.8257 0.070 Uiso 1 1 calc R U . . .
C11 C 0.3383(6) -0.0456(7) 0.8594(9) 0.052(5) Uani 1 1 d . . . . .
C12 C 0.3196(6) -0.0593(6) 0.9171(8) 0.038(4) Uani 1 1 d . . . . .
C13 C 0.2532(6) -0.0504(7) 0.7651(8) 0.047(4) Uani 1 1 d . . . . .
C14 C 0.2226(7) -0.0880(7) 0.7361(8) 0.050(5) Uani 1 1 d . . . . .
H14A H 0.2337 -0.1210 0.7288 0.060 Uiso 1 1 calc R U . . .
C15 C 0.1763(7) -0.0767(8) 0.7182(8) 0.055(5) Uani 1 1 d . . . . .
H15A H 0.1557 -0.1020 0.6969 0.065 Uiso 1 1 calc R U . . .
C16 C 0.1587(6) -0.0295(7) 0.7304(8) 0.047(4) Uani 1 1 d . . . . .
H16A H 0.1260 -0.0236 0.7213 0.056 Uiso 1 1 calc R U . . .
C17 C 0.1884(7) 0.0089(7) 0.7557(8) 0.048(4) Uani 1 1 d . . . . .
C18 C 0.2360(6) -0.0019(6) 0.7743(8) 0.036(4) Uani 1 1 d . . . . .
C19 C 0.1866(7) 0.0976(7) 0.8404(9) 0.053(5) Uani 1 1 d . . . . .
C20 C 0.2066(6) 0.1450(7) 0.8356(10) 0.053(5) Uani 1 1 d . . . . .
H20A H 0.2115 0.1582 0.7924 0.064 Uiso 1 1 calc R U . . .
C21 C 0.2189(6) 0.1719(7) 0.8943(11) 0.053(5) Uani 1 1 d . . . . .
H21A H 0.2299 0.2056 0.8917 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2156(7) 0.1511(8) 0.9586(10) 0.061(6) Uani 1 1 d . . . . .
H22A H 0.2259 0.1705 0.9988 0.074 Uiso 1 1 calc R U . . .
C23 C 0.1985(7) 0.1045(6) 0.9652(9) 0.047(4) Uani 1 1 d . . . . .
C24 C 0.1825(6) 0.0773(6) 0.9040(9) 0.046(4) Uani 1 1 d . . . . .
C25 C 0.3107(7) 0.0640(7) 1.0960(9) 0.056(5) Uani 1 1 d . . . . .
H25A H 0.3385 0.0430 1.1114 0.067 Uiso 1 1 calc R U . . .
H25B H 0.2906 0.0628 1.1323 0.067 Uiso 1 1 calc R U . . .
C26 C 0.3255(7) 0.1164(7) 1.0882(10) 0.059(5) Uani 1 1 d . . . . .
H26A H 0.2992 0.1358 1.0626 0.071 Uiso 1 1 calc R U . . .
H26B H 0.3335 0.1319 1.1343 0.071 Uiso 1 1 calc R U . . .
C27 C 0.3802(8) 0.1699(7) 1.0541(9) 0.060(5) Uani 1 1 d . . . . .
H27A H 0.3898 0.1809 1.1023 0.072 Uiso 1 1 calc R U . . .
H27B H 0.3546 0.1923 1.0329 0.072 Uiso 1 1 calc R U . . .
C28 C 0.4208(7) 0.1749(7) 1.0154(9) 0.056(5) Uani 1 1 d . . . . .
H28A H 0.4425 0.1465 1.0286 0.067 Uiso 1 1 calc R U . . .
H28B H 0.4376 0.2066 1.0301 0.067 Uiso 1 1 calc R U . . .
C29 C 0.3829(6) 0.1107(6) 0.9091(9) 0.044(4) Uani 1 1 d . . . . .
H29A H 0.3981 0.0946 0.8729 0.053 Uiso 1 1 calc R U . . .
H29B H 0.3912 0.0909 0.9519 0.053 Uiso 1 1 calc R U . . .
C30 C 0.3322(7) 0.1089(7) 0.8880(9) 0.058(5) Uani 1 1 d . . . . .
H30A H 0.3168 0.1273 0.9222 0.070 Uiso 1 1 calc R U . . .
H30B H 0.3216 0.0732 0.8874 0.070 Uiso 1 1 calc R U . . .
C31 C 0.3219(8) 0.0950(8) 0.7667(10) 0.070(6) Uani 1 1 d . . . . .
H31A H 0.3469 0.0709 0.7849 0.084 Uiso 1 1 calc R U . . .
H31B H 0.3321 0.1129 0.7274 0.084 Uiso 1 1 calc R U . . .
C32 C 0.2800(7) 0.0662(8) 0.7410(9) 0.066(6) Uani 1 1 d . . . . .
H32A H 0.2859 0.0437 0.7030 0.079 Uiso 1 1 calc R U . . .
H32B H 0.2542 0.0894 0.7231 0.079 Uiso 1 1 calc R U . . .
C33 C 0.1149(8) 0.0301(8) 0.9099(14) 0.080(7) Uani 1 1 d . . . . .
H33A H 0.0995 0.0536 0.8741 0.096 Uiso 1 1 calc R U . . .
H33B H 0.1101 0.0436 0.9553 0.096 Uiso 1 1 calc R U . . .
C34 C 0.0921(8) -0.0199(11) 0.8997(19) 0.117(11) Uani 1 1 d . . . . .
H34A H 0.0827 -0.0269 0.9451 0.140 Uiso 1 1 calc R U . . .
H34B H 0.0627 -0.0123 0.8687 0.140 Uiso 1 1 calc R U . . .
C35 C 0.1448(8) -0.0834(8) 0.8980(13) 0.079(7) Uani 1 1 d . . . . .
H35A H 0.1660 -0.0599 0.9269 0.095 Uiso 1 1 calc R U . . .
H35B H 0.1585 -0.0911 0.8561 0.095 Uiso 1 1 calc R U . . .
C36 C 0.1392(8) -0.1317(6) 0.9374(10) 0.063(6) Uani 1 1 d . . . . .
H36A H 0.1233 -0.1233 0.9769 0.076 Uiso 1 1 calc R U . . .
H36B H 0.1707 -0.1444 0.9564 0.076 Uiso 1 1 calc R U . . .
C37 C 0.1397(7) -0.1946(10) 0.8201(12) 0.080(7) Uani 1 1 d . . . . .
H37A H 0.1234 -0.2218 0.7912 0.095 Uiso 1 1 calc R U . . .
H37B H 0.1384 -0.1639 0.7911 0.095 Uiso 1 1 calc R U . . .
C38 C 0.1883(8) -0.2092(9) 0.8381(12) 0.083(7) Uani 1 1 d . . . . .
H38A H 0.1913 -0.2372 0.8720 0.099 Uiso 1 1 calc R U . . .
H38B H 0.2005 -0.2210 0.7966 0.099 Uiso 1 1 calc R U . . .
C39 C 0.2600(8) -0.1716(9) 0.8772(13) 0.084(7) Uani 1 1 d . . . . .
H39A H 0.2765 -0.1945 0.8527 0.101 Uiso 1 1 calc R U . . .
C40 C 0.2829(7) -0.1368(7) 0.9326(10) 0.058(5) Uani 1 1 d . . . . .
H40A H 0.2683 -0.1414 0.9744 0.070 Uiso 1 1 calc R U . . .
H40B H 0.3162 -0.1458 0.9443 0.070 Uiso 1 1 calc R U . . .
C41 C 0.6663(6) -0.1028(6) 1.0060(8) 0.043(4) Uani 1 1 d . . . . .
C42 C 0.6854(7) -0.1506(7) 1.0080(9) 0.049(4) Uani 1 1 d . . . . .
H42A H 0.6944 -0.1668 1.0512 0.059 Uiso 1 1 calc R U . . .
C43 C 0.6916(6) -0.1752(6) 0.9490(10) 0.049(5) Uani 1 1 d . . . . .
H43A H 0.7046 -0.2082 0.9509 0.058 Uiso 1 1 calc R U . . .
C44 C 0.6787(6) -0.1514(6) 0.8867(9) 0.044(4) Uani 1 1 d . . . . .
H44A H 0.6842 -0.1676 0.8456 0.053 Uiso 1 1 calc R U . . .
C45 C 0.6574(5) -0.1036(6) 0.8832(8) 0.035(4) Uani 1 1 d . . . . .
C46 C 0.6492(6) -0.0796(7) 0.9429(8) 0.042(4) Uani 1 1 d . . . . .
C47 C 0.6550(6) -0.0189(6) 0.7959(8) 0.040(4) Uani 1 1 d . . . . .
C48 C 0.6212(6) 0.0179(6) 0.7681(8) 0.045(4) Uani 1 1 d . . . . .
H48A H 0.5890 0.0095 0.7590 0.054 Uiso 1 1 calc R U . . .
C49 C 0.6358(7) 0.0642(8) 0.7551(9) 0.057(5) Uani 1 1 d . . . . .
H49A H 0.6134 0.0884 0.7357 0.068 Uiso 1 1 calc R U . . .
C50 C 0.6803(8) 0.0779(6) 0.7680(9) 0.054(5) Uani 1 1 d . . . . .
H50A H 0.6886 0.1117 0.7589 0.065 Uiso 1 1 calc R U . . .
C51 C 0.7158(6) 0.0427(6) 0.7953(8) 0.046(4) Uani 1 1 d . . . . .
C52 C 0.7020(6) -0.0066(5) 0.8065(8) 0.036(4) Uani 1 1 d . . . . .
C53 C 0.8012(6) 0.0445(5) 0.8909(8) 0.034(4) Uani 1 1 d . . . . .
C54 C 0.8435(7) 0.0215(6) 0.8960(9) 0.049(5) Uani 1 1 d . . . . .
H54A H 0.8552 0.0119 0.8553 0.058 Uiso 1 1 calc R U . . .
C55 C 0.8699(7) 0.0121(6) 0.9600(10) 0.054(5) Uani 1 1 d . . . . .
H55A H 0.8996 -0.0037 0.9635 0.065 Uiso 1 1 calc R U . . .
C56 C 0.8518(5) 0.0262(6) 1.0195(9) 0.041(4) Uani 1 1 d . . . . .
H56A H 0.8691 0.0193 1.0637 0.049 Uiso 1 1 calc R U . . .
C57 C 0.8094(6) 0.0500(6) 1.0140(8) 0.037(4) Uani 1 1 d . . . . .
C58 C 0.7828(6) 0.0620(6) 0.9489(8) 0.036(4) Uani 1 1 d . . . . .
C59 C 0.7340(6) 0.0504(6) 1.0914(7) 0.037(4) Uani 1 1 d . . . . .
C60 C 0.7040(7) 0.0855(7) 1.1120(8) 0.048(4) Uani 1 1 d . . . . .
H60A H 0.7138 0.1196 1.1194 0.057 Uiso 1 1 calc R U . . .
C61 C 0.6583(7) 0.0710(9) 1.1223(8) 0.063(6) Uani 1 1 d . . . . .
H61A H 0.6370 0.0947 1.1359 0.075 Uiso 1 1 calc R U . . .
C62 C 0.6465(7) 0.0210(7) 1.1116(8) 0.050(5) Uani 1 1 d . . . . .
H62A H 0.6166 0.0100 1.1194 0.060 Uiso 1 1 calc R U . . .
C63 C 0.6768(6) -0.0138(6) 1.0898(7) 0.042(4) Uani 1 1 d . . . . .
C64 C 0.7213(6) -0.0003(6) 1.0812(7) 0.039(4) Uani 1 1 d . . . . .
C65 C 0.7500(6) 0.1428(6) 0.9372(10) 0.051(5) Uani 1 1 d . . . . .
H65A H 0.7809 0.1527 0.9624 0.062 Uiso 1 1 calc R U . . .
H65B H 0.7495 0.1506 0.8879 0.062 Uiso 1 1 calc R U . . .
C66 C 0.7144(7) 0.1722(7) 0.9626(10) 0.056(5) Uani 1 1 d . . . . .
H66A H 0.7107 0.1592 1.0086 0.067 Uiso 1 1 calc R U . . .
H66B H 0.7254 0.2076 0.9685 0.067 Uiso 1 1 calc R U . . .
C67 C 0.6465(6) 0.1238(7) 0.9204(9) 0.054(5) Uani 1 1 d . . . . .
H67A H 0.6470 0.1121 0.9684 0.065 Uiso 1 1 calc R U . . .
H67B H 0.6623 0.0983 0.8954 0.065 Uiso 1 1 calc R U . . .
C68 C 0.5951(6) 0.1317(7) 0.8842(10) 0.055(5) Uani 1 1 d . . . . .
H68A H 0.5801 0.0984 0.8745 0.067 Uiso 1 1 calc R U . . .
H68B H 0.5953 0.1491 0.8397 0.067 Uiso 1 1 calc R U . . .
C69 C 0.5618(7) 0.1292(7) 1.0133(9) 0.059(5) Uani 1 1 d . . . . .
H69A H 0.5946 0.1241 1.0350 0.071 Uiso 1 1 calc R U . . .
H69B H 0.5460 0.1481 1.0466 0.071 Uiso 1 1 calc R U . . .
C70 C 0.5394(8) 0.0791(7) 1.0021(10) 0.060(5) Uani 1 1 d . . . . .
H70A H 0.5351 0.0640 1.0468 0.073 Uiso 1 1 calc R U . . .
H70B H 0.5084 0.0826 0.9733 0.073 Uiso 1 1 calc R U . . .
C71 C 0.5546(7) -0.0026(6) 0.9633(10) 0.055(5) Uani 1 1 d . . . . .
H71A H 0.5210 -0.0041 0.9447 0.066 Uiso 1 1 calc R U . . .
H71B H 0.5590 -0.0176 1.0100 0.066 Uiso 1 1 calc R U . . .
C72 C 0.5795(6) -0.0320(7) 0.9206(11) 0.057(5) Uani 1 1 d . . . . .
H72A H 0.5731 -0.0184 0.8731 0.069 Uiso 1 1 calc R U . . .
H72B H 0.5677 -0.0671 0.9193 0.069 Uiso 1 1 calc R U . . .
C73 C 0.7804(6) -0.0585(7) 1.1229(9) 0.053(5) Uani 1 1 d . . . . .
H73A H 0.7624 -0.0608 1.1617 0.064 Uiso 1 1 calc R U . . .
H73B H 0.8077 -0.0365 1.1376 0.064 Uiso 1 1 calc R U . . .
C74 C 0.7968(7) -0.1096(7) 1.1076(8) 0.052(5) Uani 1 1 d . . . . .
H74A H 0.8070 -0.1273 1.1518 0.062 Uiso 1 1 calc R U . . .
H74B H 0.7700 -0.1287 1.0827 0.062 Uiso 1 1 calc R U . . .
C75 C 0.8187(6) -0.1023(6) 0.9953(7) 0.036(4) Uani 1 1 d . . . . .
H75A H 0.8102 -0.0662 0.9880 0.043 Uiso 1 1 calc R U . . .
H75B H 0.7908 -0.1230 0.9788 0.043 Uiso 1 1 calc R U . . .
C76 C 0.8570(6) -0.1154(6) 0.9557(8) 0.043(4) Uani 1 1 d . . . . .
H76A H 0.8860 -0.0987 0.9779 0.052 Uiso 1 1 calc R U . . .
H76B H 0.8492 -0.1014 0.9087 0.052 Uiso 1 1 calc R U . . .
C77 C 0.8134(7) -0.2098(6) 0.9084(9) 0.052(5) Uani 1 1 d . . . . .
H77A H 0.8167 -0.2470 0.9064 0.063 Uiso 1 1 calc R U . . .
H77B H 0.7897 -0.2025 0.9383 0.063 Uiso 1 1 calc R U . . .
C78 C 0.7949(7) -0.1910(7) 0.8367(8) 0.054(5) Uani 1 1 d . . . . .
H78A H 0.8183 -0.1966 0.8058 0.065 Uiso 1 1 calc R U . . .
H78B H 0.7661 -0.2094 0.8177 0.065 Uiso 1 1 calc R U . . .
C79 C 0.7660(6) -0.1166(6) 0.7772(7) 0.042(4) Uani 1 1 d . . . . .
H79A H 0.7338 -0.1292 0.7631 0.050 Uiso 1 1 calc R U . . .
H79B H 0.7848 -0.1264 0.7414 0.050 Uiso 1 1 calc R U . . .
C80 C 0.7658(6) -0.0593(6) 0.7851(8) 0.042(4) Uani 1 1 d . . . . .
H80A H 0.7976 -0.0475 0.8039 0.051 Uiso 1 1 calc R U . . .
H80B H 0.7567 -0.0434 0.7393 0.051 Uiso 1 1 calc R U . . .
C81 C 0.3798(6) 0.3046(7) 0.5012(9) 0.050(5) Uani 1 1 d . . . . .
C82 C 0.3709(7) 0.3150(6) 0.5652(11) 0.051(5) Uani 1 1 d . . . . .
H82A H 0.3488 0.2955 0.5847 0.061 Uiso 1 1 calc R U . . .
C83 C 0.3940(7) 0.3539(8) 0.6018(10) 0.063(6) Uani 1 1 d . . . . .
H83A H 0.3874 0.3617 0.6464 0.076 Uiso 1 1 calc R U . . .
C84 C 0.4276(7) 0.3824(7) 0.5738(11) 0.060(5) Uani 1 1 d . . . . .
H84A H 0.4444 0.4085 0.6003 0.072 Uiso 1 1 calc R U . . .
C85 C 0.4362(6) 0.3726(6) 0.5086(9) 0.044(4) Uani 1 1 d . . . . .
C86 C 0.4086(6) 0.3350(6) 0.4707(9) 0.044(4) Uani 1 1 d . . . . .
C87 C 0.5123(6) 0.3771(6) 0.4352(9) 0.046(4) Uani 1 1 d . . . . .
C88 C 0.5207(6) 0.3878(6) 0.3702(9) 0.041(4) Uani 1 1 d . . . . .
H88A H 0.5012 0.4117 0.3436 0.049 Uiso 1 1 calc R U . . .
C89 C 0.5554(6) 0.3660(7) 0.3418(9) 0.047(4) Uani 1 1 d . . . . .
H89A H 0.5594 0.3745 0.2961 0.057 Uiso 1 1 calc R U . . .
C90 C 0.5852(6) 0.3311(6) 0.3793(9) 0.044(4) Uani 1 1 d . . . . .
H90A H 0.6101 0.3165 0.3600 0.053 Uiso 1 1 calc R U . . .
C91 C 0.5779(6) 0.3180(6) 0.4454(9) 0.041(4) Uani 1 1 d . . . . .
C92 C 0.5436(6) 0.3420(6) 0.4759(8) 0.041(4) Uani 1 1 d . . . . .
C93 C 0.5860(6) 0.2298(6) 0.5285(9) 0.045(4) Uani 1 1 d . . . . .
C94 C 0.6018(6) 0.2172(6) 0.5968(8) 0.042(4) Uani 1 1 d . . . . .
H94A H 0.6263 0.2364 0.6222 0.051 Uiso 1 1 calc R U . . .
C95 C 0.5832(6) 0.1781(6) 0.6283(9) 0.046(4) Uani 1 1 d . . . . .
H95A H 0.5963 0.1695 0.6742 0.055 Uiso 1 1 calc R U . . .
C96 C 0.5453(6) 0.1501(6) 0.5950(10) 0.049(5) Uani 1 1 d . . . . .
H96A H 0.5316 0.1241 0.6185 0.059 Uiso 1 1 calc R U . . .
C97 C 0.5282(6) 0.1615(6) 0.5264(9) 0.044(4) Uani 1 1 d . . . . .
C98 C 0.5496(5) 0.2003(6) 0.4931(8) 0.037(4) Uani 1 1 d . . . . .
C99 C 0.4430(6) 0.1541(6) 0.4343(9) 0.045(4) Uani 1 1 d . . . . .
C100 C 0.4298(7) 0.1424(6) 0.3651(11) 0.054(5) Uani 1 1 d . . . . .
H10B H 0.4467 0.1174 0.3446 0.065 Uiso 1 1 calc R U . . .
C101 C 0.3943(7) 0.1652(7) 0.3270(10) 0.051(5) Uani 1 1 d . . . . .
H10C H 0.3850 0.1547 0.2807 0.061 Uiso 1 1 calc R U . . .
C102 C 0.3710(6) 0.2031(7) 0.3526(11) 0.056(5) Uani 1 1 d . . . . .
H10D H 0.3467 0.2202 0.3234 0.067 Uiso 1 1 calc R U . . .
C103 C 0.3820(6) 0.2174(6) 0.4210(10) 0.047(4) Uani 1 1 d . . . . .
C104 C 0.4183(6) 0.1905(6) 0.4640(9) 0.043(4) Uani 1 1 d . . . . .
C105 C 0.4186(6) 0.1626(7) 0.5801(9) 0.048(4) Uani 1 1 d . . . . .
H10E H 0.4487 0.1500 0.6048 0.057 Uiso 1 1 calc R U . . .
H10F H 0.4024 0.1342 0.5537 0.057 Uiso 1 1 calc R U . . .
C106 C 0.3900(7) 0.1821(8) 0.6296(9) 0.060(5) Uani 1 1 d . . . . .
H10G H 0.3602 0.1953 0.6044 0.072 Uiso 1 1 calc R U . . .
H10H H 0.3826 0.1542 0.6597 0.072 Uiso 1 1 calc R U . . .
C107 C 0.3956(6) 0.2321(7) 0.7305(9) 0.048(4) Uani 1 1 d . . . . .
H10I H 0.3972 0.2021 0.7608 0.058 Uiso 1 1 calc R U . . .
H10J H 0.3627 0.2432 0.7196 0.058 Uiso 1 1 calc R U . . .
C108 C 0.4261(6) 0.2745(7) 0.7653(10) 0.058(5) Uani 1 1 d . . . . .
H10K H 0.4111 0.2882 0.8032 0.070 Uiso 1 1 calc R U . . .
H10L H 0.4270 0.3021 0.7314 0.070 Uiso 1 1 calc R U . . .
C109 C 0.5121(7) 0.2375(7) 0.7235(9) 0.053(5) Uani 1 1 d . . . . .
H10M H 0.5445 0.2265 0.7396 0.063 Uiso 1 1 calc R U . . .
H10N H 0.4947 0.2083 0.7011 0.063 Uiso 1 1 calc R U . . .
C110 C 0.5502(7) 0.3598(7) 0.6590(10) 0.061(5) Uani 1 1 d . . . . .
H11A H 0.5686 0.3857 0.6878 0.073 Uiso 1 1 calc R U . . .
H11B H 0.5181 0.3730 0.6465 0.073 Uiso 1 1 calc R U . . .
C111 C 0.5702(6) 0.3533(7) 0.5964(9) 0.055(5) Uani 1 1 d . . . . .
H11C H 0.5978 0.3311 0.6057 0.066 Uiso 1 1 calc R U . . .
H11D H 0.5805 0.3866 0.5811 0.066 Uiso 1 1 calc R U . . .
C112 C 0.5539(7) 0.1824(7) 0.3788(10) 0.060(5) Uani 1 1 d . . . . .
H11E H 0.5367 0.1500 0.3724 0.072 Uiso 1 1 calc R U . . .
H11F H 0.5864 0.1746 0.3995 0.072 Uiso 1 1 calc R U . . .
C113 C 0.5541(7) 0.2064(8) 0.3089(10) 0.064(6) Uani 1 1 d . . . . .
H11G H 0.5821 0.2185 0.2952 0.077 Uiso 1 1 calc R U . . .
C114 C 0.4794(6) 0.2460(6) 0.2862(8) 0.043(4) Uani 1 1 d . . . . .
H11H H 0.4940 0.2797 0.2947 0.052 Uiso 1 1 calc R U . . .
H11I H 0.4680 0.2347 0.3286 0.052 Uiso 1 1 calc R U . . .
C115 C 0.4403(6) 0.2482(6) 0.2274(9) 0.046(4) Uani 1 1 d . . . . .
H11J H 0.4135 0.2652 0.2431 0.055 Uiso 1 1 calc R U . . .
H11K H 0.4305 0.2131 0.2144 0.055 Uiso 1 1 calc R U . . .
C116 C 0.4697(7) 0.3442(6) 0.1781(10) 0.052(5) Uani 1 1 d . . . . .
H11L H 0.4974 0.3419 0.2145 0.063 Uiso 1 1 calc R U . . .
H11M H 0.4794 0.3628 0.1390 0.063 Uiso 1 1 calc R U . . .
C117 C 0.4337(6) 0.3746(6) 0.2053(9) 0.049(4) Uani 1 1 d . . . . .
H11N H 0.4454 0.4094 0.2157 0.059 Uiso 1 1 calc R U . . .
H11O H 0.4053 0.3767 0.1704 0.059 Uiso 1 1 calc R U . . .
C118 C 0.3920(6) 0.3768(7) 0.3009(9) 0.054(5) Uani 1 1 d . . . . .
H11P H 0.3649 0.3883 0.2676 0.064 Uiso 1 1 calc R U . . .
H11Q H 0.4073 0.4069 0.3242 0.064 Uiso 1 1 calc R U . . .
C119 C 0.3760(6) 0.3431(8) 0.3523(9) 0.056(5) Uani 1 1 d . . . . .
H11R H 0.3613 0.3125 0.3294 0.067 Uiso 1 1 calc R U . . .
H11S H 0.3526 0.3607 0.3753 0.067 Uiso 1 1 calc R U . . .
C120 C 0.4745(10) 0.0427(10) 0.7262(12) 0.078(7) Uani 1 1 d . . . . .
C121 C 0.4825(8) 0.0931(15) 0.7637(12) 0.116(13) Uani 1 1 d . . . . .
C122 C 0.7349(14) 0.2594(13) 1.1419(15) 0.127(13) Uani 1 1 d . . . . .
C123 C 0.6893(15) 0.2569(15) 1.0832(16) 0.116(12) Uani 1 1 d . . . . .
C124 C 0.4250(11) 0.4571(10) 0.7708(15) 0.089(8) Uani 1 1 d . . . . .
C125 C 0.4614(12) 0.4184(9) 0.7875(11) 0.090(9) Uani 1 1 d . . . . .
C126 C 0.7559(9) -0.2563(9) 1.1661(12) 0.073(6) Uani 1 1 d . . . . .
C127 C 0.7900(9) -0.2417(6) 1.1228(14) 0.067(6) Uani 1 1 d . . . . .
C129 C 0.5125(6) 0.2788(7) 0.6717(8) 0.046(4) Uani 1 1 d . . . . .
H12A H 0.5191 0.2647 0.6276 0.055 Uiso 1 1 calc R U . . .
H12B H 0.4817 0.2958 0.6632 0.055 Uiso 1 1 calc R U . . .
C128 C 0.0127(14) -0.0006(14) 0.638(2) 0.060(11) Uani 0.5 1 d . . P . .
H12C H 0.0022 -0.0345 0.6523 0.072 Uiso 0.5 1 calc R U P . .
Cl1 Cl -0.0367(3) 0.0319(3) 0.5919(5) 0.058(3) Uani 0.5 1 d . . P . .
Cl2 Cl 0.0548(4) -0.0095(4) 0.5898(6) 0.069(3) Uani 0.5 1 d . . P . .
Cl3 Cl 0.0324(4) 0.0340(5) 0.7131(6) 0.087(4) Uani 0.5 1 d . . P . .
C130 C 0.6041(14) 0.3106(15) 0.1715(19) 0.066(11) Uani 0.5 1 d D U P . .
H13A H 0.6157 0.3437 0.1887 0.099 Uiso 0.5 1 calc R U P . .
H13B H 0.5874 0.2945 0.2054 0.099 Uiso 0.5 1 calc R U P . .
H13C H 0.6304 0.2892 0.1641 0.099 Uiso 0.5 1 calc R U P . .
C131 C 0.5690(15) 0.3177(14) 0.099(2) 0.073(12) Uani 0.5 1 d D U P . .
C132 C 0.5582(14) 0.3675(14) 0.069(2) 0.065(11) Uani 0.5 1 d D U P . .
H132 H 0.5745 0.3957 0.0905 0.078 Uiso 0.5 1 calc R U P . .
C133 C 0.5249(15) 0.3765(16) 0.010(2) 0.077(13) Uani 0.5 1 d D U P . .
H133 H 0.5189 0.4094 -0.0093 0.093 Uiso 0.5 1 calc R U P . .
C134 C 0.5031(13) 0.3359(12) -0.0178(19) 0.057(10) Uani 0.5 1 d D U P . .
H134 H 0.4786 0.3411 -0.0553 0.068 Uiso 0.5 1 calc R U P . .
C135 C 0.5120(14) 0.2889(14) 0.002(2) 0.066(11) Uani 0.5 1 d D U P . .
H135 H 0.4958 0.2615 -0.0223 0.079 Uiso 0.5 1 calc R U P . .
C136 C 0.5450(14) 0.2804(15) 0.058(2) 0.069(11) Uani 0.5 1 d D U P . .
H136 H 0.5523 0.2462 0.0695 0.083 Uiso 0.5 1 calc R U P . .
O33 O 0.5059(8) 0.1489(8) 1.1468(10) 0.042(5) Uani 0.5 1 d . U P . .
H33 H 0.5164 0.1699 1.1774 0.063 Uiso 0.5 1 calc R U P . .
C137 C 0.4924(16) 0.1024(14) 1.179(2) 0.069(11) Uani 0.5 1 d . U P . .
H13D H 0.5144 0.0958 1.2213 0.103 Uiso 0.5 1 calc R U P . .
H13E H 0.4928 0.0740 1.1472 0.103 Uiso 0.5 1 calc R U P . .
H13F H 0.4609 0.1063 1.1907 0.103 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 O25 2.42(2) . ?
Ag1 S5 2.527(5) . ?
Ag1 S11 2.561(5) . ?
Ag1 S17 2.620(5) . ?
Ag2 O27 2.40(3) . ?
Ag2 S6 2.517(5) 3 ?
Ag2 S11 2.551(5) . ?
Ag2 O10 2.729(13) . ?
Ag3 O30 2.31(4) . ?
Ag3 S6 2.461(5) 3 ?
Ag3 O29 2.49(3) . ?
Ag3 S17 2.684(5) . ?
Ag3 O19 2.846(12) . ?
Ag4 O31 2.262(16) . ?
Ag4 S12 2.497(5) . ?
Ag4 S18 2.528(5) 3_546 ?
Ag4 O13 5.709(11) . ?
S1 C23 1.752(18) . ?
S1 C1 1.795(17) . ?
S2 C5 1.754(17) . ?
S2 C7 1.769(18) . ?
S3 C13 1.754(19) . ?
S3 C11 1.779(19) . ?
S4 C17 1.758(18) . ?
S4 C19 1.774(19) . ?
S5 C28 1.786(18) . ?
S5 C29 1.843(17) . ?
S6 C37 1.80(2) . ?
S6 C36 1.809(17) . ?
S6 Ag3 2.461(5) 3_445 ?
S6 Ag2 2.517(5) 3_445 ?
S7 C63 1.782(17) . ?
S7 C41 1.785(17) . ?
S8 C45 1.748(16) . ?
S8 C47 1.759(17) . ?
S9 C53 1.779(16) . ?
S9 C51 1.800(18) . ?
S10 C57 1.775(16) . ?
S10 C59 1.789(17) . ?
S11 C68 1.809(19) . ?
S11 C69 1.837(17) . ?
S12 C77 1.813(18) . ?
S12 C76 1.844(17) . ?
S13 C81 1.74(2) . ?
S13 C103 1.782(19) . ?
S14 C87 1.760(19) . ?
S14 C85 1.774(19) . ?
S15 C93 1.765(19) . ?
S15 C91 1.768(17) . ?
S16 C97 1.739(18) . ?
S16 C99 1.779(19) . ?
S17 C108 1.793(18) . ?
S17 C109 1.874(17) . ?
S18 C116 1.801(18) . ?
S18 C115 1.850(18) . ?
S18 Ag4 2.528(5) 3_454 ?
F1 C120 1.29(3) . ?
F2 C120 1.30(3) . ?
F3 C120 1.25(3) . ?
F4 C122 1.48(4) . ?
F5 C122 1.35(3) . ?
F6 C122 1.34(4) . ?
F7 C124 1.34(3) . ?
F8 C124 1.29(3) . ?
F9 C124 1.32(3) . ?
F10 C126 1.30(3) . ?
F11 C126 1.30(3) . ?
F12 C126 1.28(2) . ?
O1 C6 1.367(19) . ?
O1 C25 1.42(2) . ?
O2 C27 1.39(2) . ?
O2 C26 1.40(2) . ?
O3 C31 1.43(2) . ?
O3 C30 1.48(2) . ?
O4 C18 1.385(19) . ?
O4 C32 1.48(2) . ?
O5 C24 1.40(2) . ?
O5 C33 1.42(2) . ?
O6 C34 1.23(3) . ?
O6 C35 1.35(3) . ?
O7 C39 1.33(3) . ?
O7 C38 1.41(2) . ?
O8 C12 1.348(19) . ?
O8 C40 1.43(2) . ?
O9 C58 1.342(19) . ?
O9 C65 1.441(18) . ?
O10 C66 1.44(2) . ?
O10 C67 1.44(2) . ?
O11 C71 1.386(19) . ?
O11 C70 1.42(2) . ?
O12 C46 1.36(2) . ?
O12 C72 1.46(2) . ?
O13 C64 1.353(19) . ?
O13 C73 1.464(19) . ?
O14 C74 1.43(2) . ?
O14 C75 1.450(17) . ?
O15 C79 1.423(17) . ?
O15 C78 1.442(19) . ?
O16 C52 1.385(18) . ?
O16 C80 1.435(19) . ?
O17 C104 1.391(19) . ?
O17 C105 1.464(19) . ?
O18 C107 1.39(2) . ?
O18 C106 1.41(2) . ?
O19 C110 1.43(2) . ?
O19 C129 1.46(2) . ?
O20 C92 1.369(19) . ?
O20 C111 1.469(19) . ?
O21 C112 1.39(2) . ?
O21 C98 1.392(18) . ?
O22 C113 1.36(2) . ?
O22 C114 1.449(19) . ?
O23 C118 1.39(2) . ?
O23 C117 1.428(19) . ?
O24 C86 1.38(2) . ?
O24 C119 1.48(2) . ?
O25 C121 1.10(3) . ?
O26 C121 1.23(3) . ?
O27 C123 1.19(4) . ?
O28 C123 1.34(5) . ?
O29 C125 1.08(3) . ?
O30 C125 1.16(4) . ?
O31 C127 1.25(3) . ?
O32 C127 1.26(3) . ?
C1 C2 1.35(2) . ?
C1 C6 1.38(2) . ?
C2 C3 1.39(3) . ?
C3 C4 1.40(3) . ?
C4 C5 1.37(2) . ?
C5 C6 1.37(2) . ?
C7 C8 1.36(3) . ?
C7 C12 1.47(2) . ?
C8 C9 1.33(3) . ?
C9 C10 1.40(3) . ?
C10 C11 1.41(3) . ?
C11 C12 1.38(2) . ?
C13 C18 1.40(2) . ?
C13 C14 1.40(2) . ?
C14 C15 1.37(3) . ?
C15 C16 1.38(3) . ?
C16 C17 1.37(2) . ?
C17 C18 1.40(2) . ?
C19 C24 1.38(2) . ?
C19 C20 1.39(3) . ?
C20 C21 1.36(3) . ?
C21 C22 1.39(3) . ?
C22 C23 1.34(3) . ?
C23 C24 1.42(2) . ?
C25 C26 1.47(2) . ?
C27 C28 1.51(3) . ?
C29 C30 1.47(2) . ?
C31 C32 1.46(3) . ?
C33 C34 1.48(3) . ?
C35 C36 1.52(3) . ?
C37 C38 1.45(3) . ?
C39 C40 1.50(3) . ?
C41 C42 1.38(2) . ?
C41 C46 1.40(2) . ?
C42 C43 1.37(2) . ?
C43 C44 1.38(2) . ?
C44 C45 1.40(2) . ?
C45 C46 1.39(2) . ?
C47 C52 1.39(2) . ?
C47 C48 1.43(2) . ?
C48 C49 1.33(3) . ?
C49 C50 1.33(3) . ?
C50 C51 1.43(2) . ?
C51 C52 1.39(2) . ?
C53 C54 1.36(2) . ?
C53 C58 1.41(2) . ?
C54 C55 1.39(3) . ?
C55 C56 1.40(2) . ?
C56 C57 1.37(2) . ?
C57 C58 1.42(2) . ?
C59 C60 1.38(2) . ?
C59 C64 1.40(2) . ?
C60 C61 1.43(3) . ?
C61 C62 1.37(3) . ?
C62 C63 1.39(2) . ?
C63 C64 1.38(2) . ?
C65 C66 1.44(2) . ?
C67 C68 1.57(2) . ?
C69 C70 1.48(3) . ?
C71 C72 1.42(3) . ?
C73 C74 1.48(2) . ?
C75 C76 1.49(2) . ?
C77 C78 1.51(2) . ?
C79 C80 1.53(2) . ?
C81 C82 1.35(3) . ?
C81 C86 1.36(2) . ?
C82 C83 1.37(3) . ?
C83 C84 1.41(3) . ?
C84 C85 1.37(3) . ?
C85 C86 1.42(2) . ?
C87 C88 1.37(2) . ?
C87 C92 1.45(2) . ?
C88 C89 1.35(2) . ?
C89 C90 1.40(2) . ?
C90 C91 1.39(2) . ?
C91 C92 1.39(2) . ?
C93 C94 1.39(2) . ?
C93 C98 1.41(2) . ?
C94 C95 1.36(2) . ?
C95 C96 1.40(2) . ?
C96 C97 1.40(2) . ?
C97 C98 1.41(2) . ?
C99 C104 1.38(2) . ?
C99 C100 1.39(2) . ?
C100 C101 1.32(3) . ?
C101 C102 1.35(3) . ?
C102 C103 1.39(3) . ?
C103 C104 1.43(2) . ?
C105 C106 1.47(3) . ?
C107 C108 1.52(2) . ?
C109 C129 1.49(2) . ?
C110 C111 1.45(3) . ?
C112 C113 1.52(3) . ?
C114 C115 1.49(2) . ?
C116 C117 1.48(2) . ?
C118 C119 1.48(3) . ?
C120 C121 1.53(4) . ?
C122 C123 1.62(5) . ?
C124 C125 1.47(4) . ?
C126 C127 1.45(3) . ?
C128 Cl2 1.68(4) . ?
C128 Cl3 1.75(4) . ?
C128 Cl1 1.80(4) . ?
C130 C131 1.63(4) . ?
C131 C136 1.40(4) . ?
C131 C132 1.46(4) . ?
C132 C133 1.41(4) . ?
C133 C134 1.32(4) . ?
C134 C135 1.32(3) . ?
C135 C136 1.36(4) . ?
O33 C137 1.47(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
O25 Ag1 S5 97.2(7) . . ?
O25 Ag1 S11 107.4(6) . . ?
S5 Ag1 S11 124.32(15) . . ?
O25 Ag1 S17 119.2(7) . . ?
S5 Ag1 S17 109.85(15) . . ?
S11 Ag1 S17 100.35(15) . . ?
O27 Ag2 S6 135.9(7) . 3 ?
O27 Ag2 S11 107.3(7) . . ?
S6 Ag2 S11 116.69(16) 3 . ?
O27 Ag2 O10 85.0(6) . . ?
S6 Ag2 O10 108.6(3) 3 . ?
S11 Ag2 O10 74.8(3) . . ?
O30 Ag3 S6 141.1(10) . 3 ?
O30 Ag3 O29 45.7(11) . . ?
S6 Ag3 O29 145.4(7) 3 . ?
O30 Ag3 S17 104.1(9) . . ?
S6 Ag3 S17 103.42(15) 3 . ?
O29 Ag3 S17 105.2(7) . . ?
O30 Ag3 O19 121.2(10) . . ?
S6 Ag3 O19 93.0(3) 3 . ?
O29 Ag3 O19 77.6(7) . . ?
S17 Ag3 O19 72.8(3) . . ?
O31 Ag4 S12 138.7(4) . . ?
O31 Ag4 S18 96.9(4) . 3_546 ?
S12 Ag4 S18 122.84(16) . 3_546 ?
O31 Ag4 O13 80.5(4) . . ?
S12 Ag4 O13 81.22(14) . . ?
S18 Ag4 O13 130.58(15) 3_546 . ?
C23 S1 C1 104.8(7) . . ?
C5 S2 C7 106.4(7) . . ?
C13 S3 C11 107.6(8) . . ?
C17 S4 C19 109.5(8) . . ?
C28 S5 C29 100.2(8) . . ?
C28 S5 Ag1 109.7(7) . . ?
C29 S5 Ag1 102.7(5) . . ?
C37 S6 C36 104.3(10) . . ?
C37 S6 Ag3 104.5(8) . 3_445 ?
C36 S6 Ag3 112.6(7) . 3_445 ?
C37 S6 Ag2 108.7(9) . 3_445 ?
C36 S6 Ag2 104.7(6) . 3_445 ?
Ag3 S6 Ag2 120.83(19) 3_445 3_445 ?
C63 S7 C41 106.7(7) . . ?
C45 S8 C47 106.9(7) . . ?
C53 S9 C51 106.6(7) . . ?
C57 S10 C59 106.5(7) . . ?
C68 S11 C69 103.1(9) . . ?
C68 S11 Ag2 101.3(6) . . ?
C69 S11 Ag2 107.7(7) . . ?
C68 S11 Ag1 106.5(6) . . ?
C69 S11 Ag1 110.0(7) . . ?
Ag2 S11 Ag1 125.68(17) . . ?
C77 S12 C76 104.3(8) . . ?
C77 S12 Ag4 106.7(6) . . ?
C76 S12 Ag4 96.9(5) . . ?
C81 S13 C103 105.3(8) . . ?
C87 S14 C85 106.2(7) . . ?
C93 S15 C91 106.8(8) . . ?
C97 S16 C99 107.4(8) . . ?
C108 S17 C109 105.4(9) . . ?
C108 S17 Ag1 105.5(7) . . ?
C109 S17 Ag1 104.5(6) . . ?
C108 S17 Ag3 105.8(7) . . ?
C109 S17 Ag3 100.2(6) . . ?
Ag1 S17 Ag3 132.75(18) . . ?
C116 S18 C115 105.0(8) . . ?
C116 S18 Ag4 101.5(6) . 3_454 ?
C115 S18 Ag4 106.4(6) . 3_454 ?
C6 O1 C25 113.2(12) . . ?
C27 O2 C26 111.2(14) . . ?
C31 O3 C30 110.3(15) . . ?
C18 O4 C32 111.2(12) . . ?
C24 O5 C33 112.6(13) . . ?
C34 O6 C35 124(2) . . ?
C39 O7 C38 115.9(18) . . ?
C12 O8 C40 115.8(12) . . ?
C58 O9 C65 114.3(12) . . ?
C66 O10 C67 112.1(13) . . ?
C66 O10 Ag2 107.9(10) . . ?
C67 O10 Ag2 108.3(10) . . ?
C71 O11 C70 114.4(14) . . ?
C46 O12 C72 114.3(12) . . ?
C64 O13 C73 113.5(12) . . ?
C64 O13 Ag4 162.4(8) . . ?
C73 O13 Ag4 50.3(8) . . ?
C74 O14 C75 112.9(12) . . ?
C79 O15 C78 112.1(11) . . ?
C52 O16 C80 117.3(11) . . ?
C104 O17 C105 114.3(12) . . ?
C107 O18 C106 115.3(13) . . ?
C110 O19 C129 115.2(12) . . ?
C110 O19 Ag3 107.4(10) . . ?
C129 O19 Ag3 106.9(9) . . ?
C92 O20 C111 114.8(12) . . ?
C112 O21 C98 112.9(12) . . ?
C113 O22 C114 116.5(14) . . ?
C118 O23 C117 116.3(13) . . ?
C86 O24 C119 112.6(12) . . ?
C121 O25 Ag1 111(3) . . ?
C123 O27 Ag2 100(3) . . ?
C125 O29 Ag3 96(2) . . ?
C125 O30 Ag3 103(3) . . ?
C127 O31 Ag4 113.1(15) . . ?
C2 C1 C6 120.4(16) . . ?
C2 C1 S1 116.1(14) . . ?
C6 C1 S1 123.1(14) . . ?
C1 C2 C3 121.6(18) . . ?
C2 C3 C4 117.2(18) . . ?
C5 C4 C3 120.5(17) . . ?
C6 C5 C4 120.6(16) . . ?
C6 C5 S2 124.1(15) . . ?
C4 C5 S2 114.2(13) . . ?
C5 C6 O1 121.0(15) . . ?
C5 C6 C1 119.5(16) . . ?
O1 C6 C1 119.5(15) . . ?
C8 C7 C12 118.1(16) . . ?
C8 C7 S2 120.6(14) . . ?
C12 C7 S2 121.0(13) . . ?
C9 C8 C7 124.9(18) . . ?
C8 C9 C10 118.3(19) . . ?
C9 C10 C11 120.3(18) . . ?
C12 C11 C10 120.7(17) . . ?
C12 C11 S3 122.1(15) . . ?
C10 C11 S3 116.7(14) . . ?
O8 C12 C11 121.8(15) . . ?
O8 C12 C7 120.9(14) . . ?
C11 C12 C7 117.3(16) . . ?
C18 C13 C14 119.1(16) . . ?
C18 C13 S3 123.5(13) . . ?
C14 C13 S3 116.6(14) . . ?
C15 C14 C13 119.2(18) . . ?
C14 C15 C16 121.8(18) . . ?
C17 C16 C15 120.0(18) . . ?
C16 C17 C18 118.8(16) . . ?
C16 C17 S4 116.5(14) . . ?
C18 C17 S4 124.7(14) . . ?
O4 C18 C13 118.4(15) . . ?
O4 C18 C17 120.7(14) . . ?
C13 C18 C17 120.8(15) . . ?
C24 C19 C20 120.6(17) . . ?
C24 C19 S4 123.7(15) . . ?
C20 C19 S4 115.6(14) . . ?
C21 C20 C19 118.2(17) . . ?
C20 C21 C22 121.2(18) . . ?
C23 C22 C21 121.9(18) . . ?
C22 C23 C24 117.5(17) . . ?
C22 C23 S1 119.4(14) . . ?
C24 C23 S1 122.5(14) . . ?
C19 C24 O5 119.1(16) . . ?
C19 C24 C23 120.4(17) . . ?
O5 C24 C23 120.5(15) . . ?
O1 C25 C26 113.6(15) . . ?
O2 C26 C25 113.1(16) . . ?
O2 C27 C28 111.8(15) . . ?
C27 C28 S5 114.8(14) . . ?
C30 C29 S5 113.2(12) . . ?
C29 C30 O3 111.8(15) . . ?
O3 C31 C32 116.3(18) . . ?
C31 C32 O4 108.3(15) . . ?
O5 C33 C34 113.6(17) . . ?
O6 C34 C33 137(2) . . ?
O6 C35 C36 109(2) . . ?
C35 C36 S6 116.1(14) . . ?
C38 C37 S6 117.9(17) . . ?
O7 C38 C37 108(2) . . ?
O7 C39 C40 112(2) . . ?
O8 C40 C39 112.5(16) . . ?
C42 C41 C46 120.8(15) . . ?
C42 C41 S7 115.7(13) . . ?
C46 C41 S7 122.8(14) . . ?
C43 C42 C41 121.2(16) . . ?
C42 C43 C44 119.0(16) . . ?
C43 C44 C45 120.8(16) . . ?
C46 C45 C44 120.2(15) . . ?
C46 C45 S8 123.1(12) . . ?
C44 C45 S8 116.1(12) . . ?
O12 C46 C45 122.6(14) . . ?
O12 C46 C41 119.4(15) . . ?
C45 C46 C41 117.6(16) . . ?
C52 C47 C48 119.9(15) . . ?
C52 C47 S8 122.1(13) . . ?
C48 C47 S8 117.0(13) . . ?
C49 C48 C47 118.6(18) . . ?
C50 C49 C48 122.9(18) . . ?
C49 C50 C51 121.1(17) . . ?
C52 C51 C50 117.5(16) . . ?
C52 C51 S9 123.6(14) . . ?
C50 C51 S9 118.7(14) . . ?
O16 C52 C47 118.4(13) . . ?
O16 C52 C51 121.7(15) . . ?
C47 C52 C51 119.8(16) . . ?
C54 C53 C58 122.6(15) . . ?
C54 C53 S9 115.4(12) . . ?
C58 C53 S9 120.9(13) . . ?
C53 C54 C55 120.6(16) . . ?
C54 C55 C56 118.8(17) . . ?
C57 C56 C55 120.3(17) . . ?
C56 C57 C58 121.7(15) . . ?
C56 C57 S10 117.4(13) . . ?
C58 C57 S10 120.4(12) . . ?
O9 C58 C53 123.9(14) . . ?
O9 C58 C57 120.3(13) . . ?
C53 C58 C57 115.8(15) . . ?
C60 C59 C64 121.7(16) . . ?
C60 C59 S10 114.6(13) . . ?
C64 C59 S10 123.1(13) . . ?
C59 C60 C61 120.3(18) . . ?
C62 C61 C60 117.0(19) . . ?
C61 C62 C63 122.0(19) . . ?
C64 C63 C62 121.3(16) . . ?
C64 C63 S7 123.2(13) . . ?
C62 C63 S7 114.8(14) . . ?
O13 C64 C63 120.3(15) . . ?
O13 C64 C59 122.2(15) . . ?
C63 C64 C59 117.6(15) . . ?
C66 C65 O9 112.4(16) . . ?
O10 C66 C65 115.5(15) . . ?
O10 C67 C68 106.8(14) . . ?
C67 C68 S11 112.1(13) . . ?
C70 C69 S11 116.1(14) . . ?
O11 C70 C69 108.5(16) . . ?
O11 C71 C72 113.6(16) . . ?
C71 C72 O12 114.3(16) . . ?
O13 C73 C74 112.5(14) . . ?
O14 C74 C73 116.1(15) . . ?
O14 C75 C76 109.5(12) . . ?
C75 C76 S12 115.1(11) . . ?
C78 C77 S12 116.4(14) . . ?
O15 C78 C77 107.5(13) . . ?
O15 C79 C80 107.9(12) . . ?
O16 C80 C79 110.9(13) . . ?
C82 C81 C86 120.6(18) . . ?
C82 C81 S13 115.2(15) . . ?
C86 C81 S13 123.0(14) . . ?
C81 C82 C83 119.5(19) . . ?
C82 C83 C84 120.6(19) . . ?
C85 C84 C83 120.1(19) . . ?
C84 C85 C86 117.1(17) . . ?
C84 C85 S14 117.2(15) . . ?
C86 C85 S14 124.9(13) . . ?
C81 C86 O24 123.6(16) . . ?
C81 C86 C85 121.3(17) . . ?
O24 C86 C85 114.8(16) . . ?
C88 C87 C92 117.5(16) . . ?
C88 C87 S14 120.0(13) . . ?
C92 C87 S14 121.0(14) . . ?
C89 C88 C87 123.4(16) . . ?
C88 C89 C90 120.2(16) . . ?
C91 C90 C89 119.0(17) . . ?
C92 C91 C90 120.8(15) . . ?
C92 C91 S15 123.3(13) . . ?
C90 C91 S15 115.5(14) . . ?
O20 C92 C91 122.5(14) . . ?
O20 C92 C87 118.5(16) . . ?
C91 C92 C87 118.8(15) . . ?
C94 C93 C98 116.9(16) . . ?
C94 C93 S15 117.6(13) . . ?
C98 C93 S15 124.7(13) . . ?
C95 C94 C93 121.9(16) . . ?
C94 C95 C96 121.8(16) . . ?
C97 C96 C95 118.2(16) . . ?
C96 C97 C98 119.3(16) . . ?
C96 C97 S16 115.7(13) . . ?
C98 C97 S16 123.9(14) . . ?
O21 C98 C93 117.5(14) . . ?
O21 C98 C97 120.8(14) . . ?
C93 C98 C97 121.7(15) . . ?
C104 C99 C100 119.0(17) . . ?
C104 C99 S16 121.8(14) . . ?
C100 C99 S16 119.0(14) . . ?
C101 C100 C99 121.8(18) . . ?
C100 C101 C102 121.3(19) . . ?
C101 C102 C103 120.7(18) . . ?
C102 C103 C104 118.3(17) . . ?
C102 C103 S13 118.8(14) . . ?
C104 C103 S13 121.7(14) . . ?
C99 C104 O17 124.3(16) . . ?
C99 C104 C103 118.7(16) . . ?
O17 C104 C103 117.0(14) . . ?
O17 C105 C106 108.6(14) . . ?
O18 C106 C105 111.2(16) . . ?
O18 C107 C108 105.6(15) . . ?
C107 C108 S17 115.9(13) . . ?
C129 C109 S17 112.7(12) . . ?
O19 C110 C111 114.9(17) . . ?
C110 C111 O20 111.1(15) . . ?
O21 C112 C113 114.2(14) . . ?
O22 C113 C112 117.0(18) . . ?
O22 C114 C115 106.0(13) . . ?
C114 C115 S18 115.5(12) . . ?
C117 C116 S18 116.5(13) . . ?
O23 C117 C116 109.0(13) . . ?
O23 C118 C119 109.8(15) . . ?
C118 C119 O24 108.8(14) . . ?
F3 C120 F1 106(3) . . ?
F3 C120 F2 104(2) . . ?
F1 C120 F2 103(2) . . ?
F3 C120 C121 111(2) . . ?
F1 C120 C121 117(2) . . ?
F2 C120 C121 114(2) . . ?
O25 C121 O26 134(3) . . ?
O25 C121 C120 111(3) . . ?
O26 C121 C120 112(3) . . ?
F6 C122 F5 123(3) . . ?
F6 C122 F4 87(2) . . ?
F5 C122 F4 93(2) . . ?
F6 C122 C123 126(3) . . ?
F5 C122 C123 110(2) . . ?
F4 C122 C123 100(3) . . ?
O27 C123 O28 141(4) . . ?
O27 C123 C122 124(4) . . ?
O28 C123 C122 91(3) . . ?
F8 C124 F9 102(2) . . ?
F8 C124 F7 107(3) . . ?
F9 C124 F7 108(2) . . ?
F8 C124 C125 114(2) . . ?
F9 C124 C125 113(3) . . ?
F7 C124 C125 113(3) . . ?
O29 C125 O30 113(4) . . ?
O29 C125 C124 123(3) . . ?
O30 C125 C124 122(3) . . ?
F12 C126 F10 100(2) . . ?
F12 C126 F11 111(2) . . ?
F10 C126 F11 99(2) . . ?
F12 C126 C127 116(2) . . ?
F10 C126 C127 116(2) . . ?
F11 C126 C127 113.1(19) . . ?
O31 C127 O32 124(2) . . ?
O31 C127 C126 119(2) . . ?
O32 C127 C126 117(2) . . ?
O19 C129 C109 108.1(14) . . ?
Cl2 C128 Cl3 112(2) . . ?
Cl2 C128 Cl1 112(2) . . ?
Cl3 C128 Cl1 108(2) . . ?
C136 C131 C132 110(3) . . ?
C136 C131 C130 128(3) . . ?
C132 C131 C130 122(3) . . ?
C133 C132 C131 124(4) . . ?
C134 C133 C132 115(4) . . ?
C133 C134 C135 126(4) . . ?
C134 C135 C136 118(4) . . ?
C135 C136 C131 126(4) . . ?

_refine_diff_density_max         0.912
_refine_diff_density_min         -0.974
_refine_diff_density_rms         0.118

