# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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 1941072'
loop_
_audit_author_name
_audit_author_address
'Xiao-Yu Li'
;Nankai University
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-10-07 downloaded from the CCDC.
;
_audit_creation_date             2019-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H48 Ag11 Cl F6 N24 O12 S8, 2(C H Cl3)'
_chemical_formula_sum            'C46 H50 Ag11 Cl7 F6 N24 O12 S8'
_chemical_formula_weight         2936.30
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   24.7211(2)
_cell_length_b                   15.22319(13)
_cell_length_c                   24.7820(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.0536(10)
_cell_angle_gamma                90
_cell_volume                     8815.37(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    53925
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.359
_cell_measurement_theta_min      3.463
_shelx_estimated_absorpt_T_max   0.650
_shelx_estimated_absorpt_T_min   0.539
_exptl_absorpt_coefficient_mu    23.531
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.212
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5632
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            53925
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.359
_diffrn_reflns_theta_min         3.463
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15846
_reflns_number_total             17493
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.930
_refine_diff_density_min         -1.904
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1040
_refine_ls_number_reflns         17493
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0460
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0632P)²+58.6729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1221
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C45(H45), C46(H46)
2.b Me refined with riding coordinates:
 C11(H11A,H11B,H11C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.18704(2) 0.11609(3) 0.69844(2) 0.01869(9) Uani 1 1 d . . . . .
Ag2 Ag 0.24557(2) 0.12871(3) 0.61695(2) 0.02323(10) Uani 1 1 d . . . . .
Ag3 Ag 0.17403(2) -0.08647(3) 0.63449(2) 0.01669(9) Uani 1 1 d . . . . .
Ag4 Ag 0.19360(2) -0.04585(3) 0.52962(2) 0.01613(9) Uani 1 1 d . . . . .
Ag5 Ag 0.26416(2) 0.27310(3) 0.51958(2) 0.03451(13) Uani 1 1 d . . . . .
Ag6 Ag 0.14326(2) 0.09089(3) 0.41947(2) 0.02300(10) Uani 1 1 d . . . . .
Ag7 Ag 0.26771(2) 0.15016(3) 0.40106(2) 0.02391(10) Uani 1 1 d . . . . .
Ag8 Ag 0.32387(2) 0.15171(3) 0.31720(2) 0.02236(10) Uani 1 1 d . . . . .
Ag9 Ag 0.32687(2) -0.07344(3) 0.36459(2) 0.01697(9) Uani 1 1 d . . . . .
Ag10 Ag 0.30792(2) -0.04518(3) 0.47096(2) 0.01736(9) Uani 1 1 d . . . . .
Ag11 Ag 0.36581(2) 0.06603(3) 0.59232(2) 0.02233(10) Uani 1 1 d . . . . .
Cl1 Cl 0.25406(5) 0.09285(8) 0.50562(5) 0.0151(2) Uani 1 1 d . . . . .
S1 S 0.34431(6) -0.23065(9) 0.63997(6) 0.0201(3) Uani 1 1 d . . . . .
S2 S 0.15122(6) -0.20842(11) 0.35040(6) 0.0241(3) Uani 1 1 d . . . . .
S3 S 0.14904(7) -0.00261(11) 0.24021(6) 0.0258(3) Uani 1 1 d . . . . .
S4 S 0.02632(6) 0.10406(9) 0.53483(6) 0.0161(3) Uani 1 1 d . . . . .
S5 S 0.10029(7) 0.34314(10) 0.56737(7) 0.0261(3) Uani 1 1 d . . . . .
S6 S 0.36051(6) -0.04542(10) 0.76797(6) 0.0207(3) Uani 1 1 d . . . . .
S7 S 0.47545(6) 0.10945(9) 0.47184(6) 0.0177(3) Uani 1 1 d . . . . .
S8 S 0.41418(8) 0.36268(12) 0.45715(9) 0.0376(4) Uani 1 1 d . . . . .
F1 F 0.44250(17) 0.1639(3) 0.69291(17) 0.0353(9) Uani 1 1 d . . . . .
F2 F 0.4598(2) 0.2986(4) 0.7140(3) 0.085(2) Uani 1 1 d . . . . .
F3 F 0.4101(3) 0.2254(5) 0.7539(2) 0.087(2) Uani 1 1 d . . . . .
F4 F 0.1060(3) 0.2548(5) 0.2671(2) 0.079(2) Uani 1 1 d . . . . .
F5 F 0.0601(3) 0.3403(4) 0.3048(3) 0.094(2) Uani 1 1 d . . . . .
F6 F 0.06850(19) 0.2046(3) 0.32588(19) 0.0487(12) Uani 1 1 d . . . . .
O1 O 0.04761(19) 0.2964(3) 0.6348(2) 0.0309(10) Uani 1 1 d . . . . .
O2 O 0.01058(19) 0.0202(3) 0.61758(19) 0.0285(10) Uani 1 1 d . . . . .
O3 O 0.30215(19) -0.0318(3) 0.83391(19) 0.0283(10) Uani 1 1 d . . . . .
O4 O 0.30220(17) -0.2717(3) 0.71850(17) 0.0221(9) Uani 1 1 d . . . . .
O5 O 0.48858(18) 0.0415(3) 0.38274(18) 0.0264(10) Uani 1 1 d . . . . .
O6 O 0.2116(2) 0.0099(3) 0.17751(19) 0.0313(10) Uani 1 1 d . . . . .
O7 O 0.19111(18) -0.2384(3) 0.26884(18) 0.0260(9) Uani 1 1 d . . . . .
O8 O 0.4615(2) 0.3318(4) 0.3828(3) 0.0479(14) Uani 1 1 d . . . . .
O9 O 0.1728(2) 0.2401(3) 0.4018(2) 0.0363(11) Uani 1 1 d . . . . .
O10 O 0.1747(3) 0.3669(4) 0.3572(3) 0.068(2) Uani 1 1 d . . . . .
O11 O 0.3415(2) 0.2153(3) 0.6194(2) 0.0299(10) Uani 1 1 d . . . . .
O12 O 0.3475(3) 0.3396(4) 0.6676(3) 0.069(2) Uani 1 1 d . . . . .
N1 N 0.3846(2) 0.2411(3) 0.3701(2) 0.0227(11) Uani 1 1 d . . . . .
N2 N 0.3336(2) 0.2499(3) 0.4349(2) 0.0214(10) Uani 1 1 d . . . . .
N3 N 0.3317(2) 0.2950(4) 0.4826(2) 0.0248(11) Uani 1 1 d . . . . .
N4 N 0.40617(19) -0.0079(3) 0.39526(19) 0.0164(9) Uani 1 1 d . . . . .
N5 N 0.3871(2) 0.0293(3) 0.47837(19) 0.0163(9) Uani 1 1 d . . . . .
N6 N 0.40726(19) 0.0805(3) 0.52757(19) 0.0170(10) Uani 1 1 d . . . . .
N7 N 0.3131(2) -0.1275(3) 0.5542(2) 0.0179(10) Uani 1 1 d . . . . .
N8 N 0.27132(19) -0.1211(3) 0.57994(19) 0.0145(9) Uani 1 1 d . . . . .
N9 N 0.2471(2) -0.1678(3) 0.65917(19) 0.0164(9) Uani 1 1 d . . . . .
N10 N 0.3513(2) 0.0148(3) 0.6697(2) 0.0194(10) Uani 1 1 d . . . . .
N11 N 0.3011(2) 0.0393(3) 0.67897(19) 0.0183(10) Uani 1 1 d . . . . .
N12 N 0.2541(2) 0.0296(3) 0.7473(2) 0.0198(10) Uani 1 1 d . . . . .
N13 N 0.09499(19) -0.0201(3) 0.60597(19) 0.0158(9) Uani 1 1 d . . . . .
N14 N 0.1166(2) 0.0318(3) 0.52669(19) 0.0156(9) Uani 1 1 d . . . . .
N15 N 0.0979(2) 0.0905(3) 0.4815(2) 0.0183(10) Uani 1 1 d . . . . .
N16 N 0.1260(2) 0.2091(3) 0.6467(2) 0.0214(10) Uani 1 1 d . . . . .
N17 N 0.1836(2) 0.2353(3) 0.5900(2) 0.0224(10) Uani 1 1 d . . . . .
N18 N 0.1900(2) 0.2902(3) 0.5483(2) 0.0258(11) Uani 1 1 d . . . . .
N19 N 0.2584(2) 0.0658(3) 0.2666(2) 0.0216(10) Uani 1 1 d . . . . .
N20 N 0.2091(2) 0.0720(3) 0.3329(2) 0.0205(10) Uani 1 1 d . . . . .
N21 N 0.1576(2) 0.0481(3) 0.3400(2) 0.0217(10) Uani 1 1 d . . . . .
N22 N 0.2507(2) -0.1485(3) 0.3354(2) 0.0173(10) Uani 1 1 d . . . . .
N23 N 0.2277(2) -0.1097(3) 0.4164(2) 0.0169(9) Uani 1 1 d . . . . .
N24 N 0.1863(2) -0.1181(3) 0.4423(2) 0.0185(10) Uani 1 1 d . . . . .
C1 C 0.0930(3) -0.1840(5) 0.4308(3) 0.0372(17) Uani 1 1 d . . . . .
H1A H 0.0594 -0.1615 0.4023 0.056 Uiso 1 1 calc GR . . . .
H1B H 0.0978 -0.1553 0.4666 0.056 Uiso 1 1 calc GR . . . .
H1C H 0.0887 -0.2461 0.4350 0.056 Uiso 1 1 calc GR . . . .
C2 C 0.1439(3) -0.1673(4) 0.4130(3) 0.0239(13) Uani 1 1 d . . . . .
C3 C 0.2165(2) -0.1510(4) 0.3680(2) 0.0176(11) Uani 1 1 d . . . . .
C4 C 0.2347(2) -0.1934(4) 0.2852(2) 0.0196(11) Uani 1 1 d . . . . .
C5 C 0.2726(3) -0.1856(4) 0.2485(3) 0.0239(13) Uani 1 1 d . . . . .
H5A H 0.2928 -0.2398 0.2496 0.036 Uiso 1 1 calc GR . . . .
H5B H 0.2996 -0.1389 0.2627 0.036 Uiso 1 1 calc GR . . . .
H5C H 0.2496 -0.1731 0.2099 0.036 Uiso 1 1 calc GR . . . .
C6 C 0.0634(3) -0.0172(5) 0.2916(3) 0.0336(16) Uani 1 1 d . . . . .
H6A H 0.0362 0.0185 0.2637 0.050 Uiso 1 1 calc GR . . . .
H6B H 0.0581 -0.0100 0.3280 0.050 Uiso 1 1 calc GR . . . .
H6C H 0.0578 -0.0778 0.2803 0.050 Uiso 1 1 calc GR . . . .
C7 C 0.1222(3) 0.0100(5) 0.2958(3) 0.0273(14) Uani 1 1 d . . . . .
C8 C 0.2113(3) 0.0485(4) 0.2822(2) 0.0209(12) Uani 1 1 d . . . . .
C9 C 0.2546(3) 0.0441(4) 0.2120(3) 0.0250(13) Uani 1 1 d . . . . .
C10 C 0.3070(3) 0.0615(5) 0.1955(3) 0.0318(15) Uani 1 1 d . . . . .
H10A H 0.3220 0.0069 0.1872 0.048 Uiso 1 1 calc GR . . . .
H10B H 0.3354 0.0903 0.2264 0.048 Uiso 1 1 calc GR . . . .
H10C H 0.2970 0.0985 0.1623 0.048 Uiso 1 1 calc GR . . . .
C11 C 0.4280(3) -0.0515(5) 0.3104(3) 0.0310(15) Uani 1 1 d . . . . .
H11A H 0.3922 -0.0812 0.3043 0.047 Uiso 1 1 calc R . . . .
H11B H 0.4243 -0.0111 0.2796 0.047 Uiso 1 1 calc R . . . .
H11C H 0.4572 -0.0938 0.3118 0.047 Uiso 1 1 calc R . . . .
C12 C 0.4439(2) -0.0021(4) 0.3657(2) 0.0215(12) Uani 1 1 d . . . . .
C13 C 0.4189(2) 0.0367(4) 0.4453(2) 0.0165(11) Uani 1 1 d . . . . .
C14 C 0.4516(2) 0.1265(4) 0.5289(2) 0.0196(12) Uani 1 1 d . . . . .
C15 C 0.4807(3) 0.1903(4) 0.5759(3) 0.0281(14) Uani 1 1 d . . . . .
H15A H 0.5201 0.1737 0.5931 0.042 Uiso 1 1 calc GR . . . .
H15B H 0.4619 0.1893 0.6042 0.042 Uiso 1 1 calc GR . . . .
H15C H 0.4786 0.2484 0.5603 0.042 Uiso 1 1 calc GR . . . .
C16 C 0.4418(3) 0.2293(5) 0.3063(3) 0.0343(16) Uani 1 1 d . . . . .
H16A H 0.4702 0.2624 0.2964 0.051 Uiso 1 1 calc GR . . . .
H16B H 0.4070 0.2277 0.2744 0.051 Uiso 1 1 calc GR . . . .
H16C H 0.4553 0.1705 0.3164 0.051 Uiso 1 1 calc GR . . . .
C17 C 0.4305(3) 0.2720(5) 0.3561(3) 0.0328(15) Uani 1 1 d . . . . .
C18 C 0.3749(3) 0.2774(4) 0.4157(3) 0.0234(13) Uani 1 1 d . . . . .
C19 C 0.3703(3) 0.3556(5) 0.4988(3) 0.0341(16) Uani 1 1 d . . . . .
C20 C 0.3761(5) 0.4148(7) 0.5484(4) 0.062(3) Uani 1 1 d . . . . .
H20A H 0.4143 0.4109 0.5748 0.093 Uiso 1 1 calc GR . . . .
H20B H 0.3493 0.3973 0.5670 0.093 Uiso 1 1 calc GR . . . .
H20C H 0.3683 0.4742 0.5351 0.093 Uiso 1 1 calc GR . . . .
C21 C 0.1480(4) 0.4169(5) 0.4880(4) 0.050(2) Uani 1 1 d . . . . .
H21A H 0.1104 0.4178 0.4602 0.076 Uiso 1 1 calc GR . . . .
H21B H 0.1755 0.4026 0.4696 0.076 Uiso 1 1 calc GR . . . .
H21C H 0.1566 0.4737 0.5057 0.076 Uiso 1 1 calc GR . . . .
C22 C 0.1502(3) 0.3497(4) 0.5323(3) 0.0296(14) Uani 1 1 d . . . . .
C23 C 0.1384(2) 0.2543(4) 0.6055(2) 0.0198(12) Uani 1 1 d . . . . .
C24 C 0.0790(3) 0.2355(4) 0.6597(3) 0.0229(12) Uani 1 1 d . . . . .
C25 C 0.0666(3) 0.1867(5) 0.7071(3) 0.0286(14) Uani 1 1 d . . . . .
H25A H 0.0950 0.1419 0.7216 0.043 Uiso 1 1 calc R . . . .
H25B H 0.0676 0.2269 0.7373 0.043 Uiso 1 1 calc R . . . .
H25C H 0.0295 0.1602 0.6928 0.043 Uiso 1 1 calc R . . . .
C26 C 0.2089(3) 0.0240(4) 0.8213(3) 0.0273(13) Uani 1 1 d . . . . .
H26A H 0.1796 0.0525 0.7911 0.041 Uiso 1 1 calc R . . . .
H26B H 0.1943 -0.0299 0.8311 0.041 Uiso 1 1 calc R . . . .
H26C H 0.2207 0.0618 0.8541 0.041 Uiso 1 1 calc R . . . .
C27 C 0.2593(3) 0.0047(4) 0.8022(3) 0.0235(13) Uani 1 1 d . . . . .
C28 C 0.2995(2) 0.0136(4) 0.7293(2) 0.0173(11) Uani 1 1 d . . . . .
C29 C 0.3860(2) -0.0291(4) 0.7115(2) 0.0202(12) Uani 1 1 d . . . . .
C30 C 0.4434(3) -0.0598(5) 0.7133(3) 0.0301(14) Uani 1 1 d . . . . .
H30A H 0.4722 -0.0286 0.7425 0.045 Uiso 1 1 calc GR . . . .
H30B H 0.4483 -0.0491 0.6770 0.045 Uiso 1 1 calc GR . . . .
H30C H 0.4468 -0.1216 0.7214 0.045 Uiso 1 1 calc GR . . . .
C31 C 0.2256(3) -0.2121(4) 0.7449(3) 0.0240(13) Uani 1 1 d . . . . .
H31A H 0.2059 -0.2664 0.7453 0.036 Uiso 1 1 calc GR . . . .
H31B H 0.1981 -0.1659 0.7311 0.036 Uiso 1 1 calc GR . . . .
H31C H 0.2499 -0.1985 0.7829 0.036 Uiso 1 1 calc GR . . . .
C32 C 0.2610(2) -0.2210(4) 0.7065(2) 0.0177(11) Uani 1 1 d . . . . .
C33 C 0.2815(2) -0.1696(3) 0.6260(2) 0.0150(10) Uani 1 1 d . . . . .
C34 C 0.3536(3) -0.1811(4) 0.5806(2) 0.0215(12) Uani 1 1 d . . . . .
C35 C 0.4048(3) -0.1963(5) 0.5629(3) 0.0300(14) Uani 1 1 d . . . . .
H35A H 0.4374 -0.1677 0.5893 0.045 Uiso 1 1 calc GR . . . .
H35B H 0.3981 -0.1728 0.5253 0.045 Uiso 1 1 calc GR . . . .
H35C H 0.4121 -0.2582 0.5627 0.045 Uiso 1 1 calc GR . . . .
C36 C 0.0706(3) -0.0782(5) 0.6865(3) 0.0333(16) Uani 1 1 d . . . . .
H36A H 0.0971 -0.0472 0.7179 0.050 Uiso 1 1 calc GR . . . .
H36B H 0.0879 -0.1319 0.6799 0.050 Uiso 1 1 calc GR . . . .
H36C H 0.0365 -0.0913 0.6953 0.050 Uiso 1 1 calc GR . . . .
C37 C 0.0558(3) -0.0218(4) 0.6336(2) 0.0219(12) Uani 1 1 d . . . . .
C38 C 0.0831(2) 0.0318(4) 0.5584(2) 0.0148(10) Uani 1 1 d . . . . .
C39 C 0.0526(2) 0.1333(4) 0.4809(2) 0.0172(11) Uani 1 1 d . . . . .
C40 C 0.0241(3) 0.2017(4) 0.4371(3) 0.0268(14) Uani 1 1 d . . . . .
H40A H -0.0161 0.1894 0.4217 0.040 Uiso 1 1 calc GR . . . .
H40B H 0.0405 0.2008 0.4069 0.040 Uiso 1 1 calc GR . . . .
H40C H 0.0297 0.2587 0.4547 0.040 Uiso 1 1 calc GR . . . .
C41 C 0.1535(4) 0.2958(5) 0.3635(4) 0.0394(17) Uani 1 1 d . . . . .
C42 C 0.0964(3) 0.2739(5) 0.3150(4) 0.044(2) Uani 1 1 d . . . . .
C43 C 0.3637(3) 0.2674(4) 0.6587(3) 0.0312(15) Uani 1 1 d . . . . .
C44 C 0.4194(3) 0.2391(5) 0.7043(3) 0.0332(16) Uani 1 1 d . . . . .
Cl2 Cl 0.36914(13) 0.70083(17) 0.37362(14) 0.0892(10) Uani 1 1 d . . . . .
Cl3 Cl 0.46237(12) 0.5868(2) 0.37702(15) 0.0937(11) Uani 1 1 d . . . . .
Cl4 Cl 0.42999(11) 0.60636(16) 0.47583(11) 0.0678(7) Uani 1 1 d . . . . .
C45 C 0.4039(4) 0.6031(6) 0.4024(4) 0.051(2) Uani 1 1 d . . . . .
H45 H 0.3771 0.5540 0.3901 0.061 Uiso 1 1 calc R . . . .
Cl5 Cl 0.13404(13) 0.68515(19) 0.61643(16) 0.0962(11) Uani 1 1 d . . . . .
Cl6 Cl 0.03719(14) 0.5962(2) 0.62909(14) 0.0865(10) Uani 1 1 d . . . . .
Cl7 Cl 0.05646(10) 0.59065(17) 0.52323(10) 0.0598(6) Uani 1 1 d . . . . .
C46 C 0.0920(4) 0.5942(6) 0.5951(4) 0.060(3) Uani 1 1 d . . . . .
H46 H 0.1154 0.5412 0.6068 0.072 Uiso 1 1 calc R . . . .


_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 Ag2 2.8490(6) . ?
Ag1 N12 2.154(5) . ?
Ag1 N16 2.160(5) . ?
Ag2 Ag11 3.3621(6) . ?
Ag2 Cl1 2.8864(12) . ?
Ag2 O11 2.697(5) . ?
Ag2 N11 2.173(5) . ?
Ag2 N17 2.182(5) . ?
Ag3 Ag4 2.8620(5) . ?
Ag3 N9 2.110(5) . ?
Ag3 N13 2.107(5) . ?
Ag4 Ag6 3.3340(6) . ?
Ag4 Cl1 2.7616(13) . ?
Ag4 N8 2.235(4) . ?
Ag4 N14 2.221(5) . ?
Ag4 N24 2.382(4) . ?
Ag5 Cl1 2.7666(14) . ?
Ag5 N3 2.177(5) . ?
Ag5 N18 2.188(5) . ?
Ag6 Ag7 3.3770(6) . ?
Ag6 Cl1 2.8711(13) . ?
Ag6 O9 2.469(5) . ?
Ag6 N15 2.177(5) . ?
Ag6 N21 2.211(5) . ?
Ag7 Ag8 2.8515(6) . ?
Ag7 Cl1 2.8567(12) . ?
Ag7 N2 2.184(5) . ?
Ag7 N20 2.183(5) . ?
Ag8 N1 2.131(5) . ?
Ag8 N19 2.139(5) . ?
Ag9 Ag10 2.8565(5) . ?
Ag9 N4 2.108(5) . ?
Ag9 N22 2.119(5) . ?
Ag10 Ag11 3.3390(6) . ?
Ag10 Cl1 2.7701(13) . ?
Ag10 N5 2.217(5) . ?
Ag10 N7 2.381(5) . ?
Ag10 N23 2.231(4) . ?
Ag11 Cl1 2.9223(13) . ?
Ag11 O11 2.497(5) . ?
Ag11 N6 2.179(5) . ?
Ag11 N10 2.206(5) . ?
S1 C33 1.744(5) . ?
S1 C34 1.734(6) . ?
S2 C2 1.735(6) . ?
S2 C3 1.761(6) . ?
S3 C7 1.724(6) . ?
S3 C8 1.736(6) . ?
S4 C38 1.728(5) . ?
S4 C39 1.724(6) . ?
S5 C22 1.728(7) . ?
S5 C23 1.741(6) . ?
S6 C28 1.749(6) . ?
S6 C29 1.729(6) . ?
S7 C13 1.735(6) . ?
S7 C14 1.720(6) . ?
S8 C18 1.741(7) . ?
S8 C19 1.726(7) . ?
F1 C44 1.349(8) . ?
F2 C44 1.311(9) . ?
F3 C44 1.337(8) . ?
F4 C42 1.317(9) . ?
F5 C42 1.321(9) . ?
F6 C42 1.336(9) . ?
O1 C24 1.236(8) . ?
O2 C37 1.235(7) . ?
O3 C27 1.227(8) . ?
O4 C32 1.235(7) . ?
O5 C12 1.238(7) . ?
O6 C9 1.241(8) . ?
O7 C4 1.229(7) . ?
O8 C17 1.236(9) . ?
O9 C41 1.245(9) . ?
O10 C41 1.234(9) . ?
O11 C43 1.238(8) . ?
O12 C43 1.216(9) . ?
N1 C17 1.371(8) . ?
N1 C18 1.349(8) . ?
N2 N3 1.381(7) . ?
N2 C18 1.327(8) . ?
N3 C19 1.294(9) . ?
N4 C12 1.363(7) . ?
N4 C13 1.358(7) . ?
N5 N6 1.395(6) . ?
N5 C13 1.313(7) . ?
N6 C14 1.291(7) . ?
N7 N8 1.383(6) . ?
N7 C34 1.291(8) . ?
N8 C33 1.313(7) . ?
N9 C32 1.373(7) . ?
N9 C33 1.362(7) . ?
N10 N11 1.385(7) . ?
N10 C29 1.294(8) . ?
N11 C28 1.320(7) . ?
N12 C27 1.376(7) . ?
N12 C28 1.358(7) . ?
N13 C37 1.358(7) . ?
N13 C38 1.369(7) . ?
N14 N15 1.390(6) . ?
N14 C38 1.315(7) . ?
N15 C39 1.292(7) . ?
N16 C23 1.347(8) . ?
N16 C24 1.363(8) . ?
N17 N18 1.378(7) . ?
N17 C23 1.326(8) . ?
N18 C22 1.301(9) . ?
N19 C8 1.366(8) . ?
N19 C9 1.366(8) . ?
N20 N21 1.391(7) . ?
N20 C8 1.324(7) . ?
N21 C7 1.294(8) . ?
N22 C3 1.346(7) . ?
N22 C4 1.360(7) . ?
N23 N24 1.378(6) . ?
N23 C3 1.302(7) . ?
N24 C2 1.300(8) . ?
C1 C2 1.487(9) . ?
C4 C5 1.509(8) . ?
C6 C7 1.482(9) . ?
C9 C10 1.503(9) . ?
C11 C12 1.501(8) . ?
C14 C15 1.507(8) . ?
C16 C17 1.498(10) . ?
C19 C20 1.492(10) . ?
C21 C22 1.488(10) . ?
C24 C25 1.504(9) . ?
C26 C27 1.499(8) . ?
C29 C30 1.480(8) . ?
C31 C32 1.495(8) . ?
C34 C35 1.487(8) . ?
C36 C37 1.507(8) . ?
C39 C40 1.504(7) . ?
C41 C42 1.563(12) . ?
C43 C44 1.529(10) . ?
Cl2 C45 1.749(9) . ?
Cl3 C45 1.772(10) . ?
Cl4 C45 1.722(9) . ?
Cl5 C46 1.709(10) . ?
Cl6 C46 1.814(12) . ?
Cl7 C46 1.710(10) . ?

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
N12 Ag1 Ag2 87.94(13) . . ?
N12 Ag1 N16 174.45(19) . . ?
N16 Ag1 Ag2 87.35(13) . . ?
Ag1 Ag2 Ag11 142.492(18) . . ?
Ag1 Ag2 Cl1 151.28(3) . . ?
Cl1 Ag2 Ag11 55.13(3) . . ?
O11 Ag2 Ag1 131.57(10) . . ?
O11 Ag2 Ag11 47.11(10) . . ?
O11 Ag2 Cl1 77.06(10) . . ?
N11 Ag2 Ag1 78.81(13) . . ?
N11 Ag2 Ag11 63.83(13) . . ?
N11 Ag2 Cl1 109.36(13) . . ?
N11 Ag2 O11 86.69(16) . . ?
N11 Ag2 N17 154.25(18) . . ?
N17 Ag2 Ag1 78.38(13) . . ?
N17 Ag2 Ag11 136.88(14) . . ?
N17 Ag2 Cl1 96.39(13) . . ?
N17 Ag2 O11 99.68(17) . . ?
N9 Ag3 Ag4 90.41(12) . . ?
N13 Ag3 Ag4 90.28(12) . . ?
N13 Ag3 N9 172.65(18) . . ?
Ag3 Ag4 Ag6 138.576(17) . . ?
Cl1 Ag4 Ag3 128.65(3) . . ?
Cl1 Ag4 Ag6 55.24(3) . . ?
N8 Ag4 Ag3 75.64(12) . . ?
N8 Ag4 Ag6 143.13(12) . . ?
N8 Ag4 Cl1 94.88(12) . . ?
N8 Ag4 N24 93.81(17) . . ?
N14 Ag4 Ag3 75.39(11) . . ?
N14 Ag4 Ag6 63.52(11) . . ?
N14 Ag4 Cl1 95.97(12) . . ?
N14 Ag4 N8 149.59(16) . . ?
N14 Ag4 N24 113.97(17) . . ?
N24 Ag4 Ag3 137.79(12) . . ?
N24 Ag4 Ag6 69.31(12) . . ?
N24 Ag4 Cl1 92.45(12) . . ?
N3 Ag5 Cl1 98.62(14) . . ?
N3 Ag5 N18 163.3(2) . . ?
N18 Ag5 Cl1 96.19(14) . . ?
Ag4 Ag6 Ag7 99.465(15) . . ?
Cl1 Ag6 Ag4 52.21(3) . . ?
Cl1 Ag6 Ag7 53.68(3) . . ?
O9 Ag6 Ag4 131.83(12) . . ?
O9 Ag6 Ag7 52.74(12) . . ?
O9 Ag6 Cl1 81.76(12) . . ?
N15 Ag6 Ag4 63.97(12) . . ?
N15 Ag6 Ag7 142.89(13) . . ?
N15 Ag6 Cl1 93.51(13) . . ?
N15 Ag6 O9 112.22(18) . . ?
N15 Ag6 N21 153.79(19) . . ?
N21 Ag6 Ag4 114.85(13) . . ?
N21 Ag6 Ag7 62.65(13) . . ?
N21 Ag6 Cl1 105.94(14) . . ?
N21 Ag6 O9 88.28(18) . . ?
Ag8 Ag7 Ag6 141.492(19) . . ?
Ag8 Ag7 Cl1 153.31(3) . . ?
Cl1 Ag7 Ag6 54.07(3) . . ?
N2 Ag7 Ag6 137.06(13) . . ?
N2 Ag7 Ag8 78.14(13) . . ?
N2 Ag7 Cl1 99.09(13) . . ?
N20 Ag7 Ag6 63.61(13) . . ?
N20 Ag7 Ag8 78.38(13) . . ?
N20 Ag7 Cl1 106.88(13) . . ?
N20 Ag7 N2 154.02(18) . . ?
N1 Ag8 Ag7 88.31(13) . . ?
N1 Ag8 N19 175.85(19) . . ?
N19 Ag8 Ag7 88.09(13) . . ?
N4 Ag9 Ag10 90.54(12) . . ?
N4 Ag9 N22 175.61(19) . . ?
N22 Ag9 Ag10 90.04(12) . . ?
Ag9 Ag10 Ag11 139.147(17) . . ?
Cl1 Ag10 Ag9 129.84(3) . . ?
Cl1 Ag10 Ag11 56.23(3) . . ?
N5 Ag10 Ag9 75.36(11) . . ?
N5 Ag10 Ag11 63.82(11) . . ?
N5 Ag10 Cl1 94.98(13) . . ?
N5 Ag10 N7 113.67(17) . . ?
N5 Ag10 N23 149.51(17) . . ?
N7 Ag10 Ag9 137.86(12) . . ?
N7 Ag10 Ag11 66.47(12) . . ?
N7 Ag10 Cl1 91.49(12) . . ?
N23 Ag10 Ag9 75.87(12) . . ?
N23 Ag10 Ag11 143.50(12) . . ?
N23 Ag10 Cl1 95.70(13) . . ?
N23 Ag10 N7 94.51(17) . . ?
Ag10 Ag11 Ag2 99.383(15) . . ?
Cl1 Ag11 Ag2 54.14(2) . . ?
Cl1 Ag11 Ag10 52.00(3) . . ?
O11 Ag11 Ag2 52.30(11) . . ?
O11 Ag11 Ag10 129.30(11) . . ?
O11 Ag11 Cl1 79.50(11) . . ?
N6 Ag11 Ag2 139.57(13) . . ?
N6 Ag11 Ag10 63.53(12) . . ?
N6 Ag11 Cl1 90.20(12) . . ?
N6 Ag11 O11 108.54(17) . . ?
N6 Ag11 N10 157.71(18) . . ?
N10 Ag11 Ag2 62.49(13) . . ?
N10 Ag11 Ag10 117.41(13) . . ?
N10 Ag11 Cl1 107.80(13) . . ?
N10 Ag11 O11 88.08(16) . . ?
Ag2 Cl1 Ag11 70.73(3) . . ?
Ag4 Cl1 Ag2 74.06(3) . . ?
Ag4 Cl1 Ag5 139.86(5) . . ?
Ag4 Cl1 Ag6 72.55(3) . . ?
Ag4 Cl1 Ag7 131.40(5) . . ?
Ag4 Cl1 Ag10 80.54(4) . . ?
Ag4 Cl1 Ag11 100.55(4) . . ?
Ag5 Cl1 Ag2 74.02(3) . . ?
Ag5 Cl1 Ag6 97.39(4) . . ?
Ag5 Cl1 Ag7 77.17(3) . . ?
Ag5 Cl1 Ag10 139.30(5) . . ?
Ag5 Cl1 Ag11 91.23(4) . . ?
Ag6 Cl1 Ag2 111.30(4) . . ?
Ag6 Cl1 Ag11 171.37(5) . . ?
Ag7 Cl1 Ag2 151.19(5) . . ?
Ag7 Cl1 Ag6 72.25(3) . . ?
Ag7 Cl1 Ag11 110.26(4) . . ?
Ag10 Cl1 Ag2 129.21(5) . . ?
Ag10 Cl1 Ag6 101.54(4) . . ?
Ag10 Cl1 Ag7 74.89(3) . . ?
Ag10 Cl1 Ag11 71.77(3) . . ?
C34 S1 C33 87.4(3) . . ?
C2 S2 C3 87.3(3) . . ?
C7 S3 C8 88.2(3) . . ?
C39 S4 C38 87.5(3) . . ?
C22 S5 C23 88.2(3) . . ?
C29 S6 C28 87.7(3) . . ?
C14 S7 C13 87.6(3) . . ?
C19 S8 C18 88.2(3) . . ?
C41 O9 Ag6 134.4(5) . . ?
Ag11 O11 Ag2 80.58(13) . . ?
C43 O11 Ag2 119.4(4) . . ?
C43 O11 Ag11 135.3(5) . . ?
C17 N1 Ag8 122.6(5) . . ?
C18 N1 Ag8 119.6(4) . . ?
C18 N1 C17 117.4(6) . . ?
N3 N2 Ag7 116.4(4) . . ?
C18 N2 Ag7 130.3(4) . . ?
C18 N2 N3 113.3(5) . . ?
N2 N3 Ag5 121.9(4) . . ?
C19 N3 Ag5 124.6(5) . . ?
C19 N3 N2 113.1(5) . . ?
C12 N4 Ag9 123.8(4) . . ?
C13 N4 Ag9 118.5(4) . . ?
C13 N4 C12 117.5(5) . . ?
N6 N5 Ag10 114.4(3) . . ?
C13 N5 Ag10 133.2(4) . . ?
C13 N5 N6 112.4(4) . . ?
N5 N6 Ag11 117.9(3) . . ?
C14 N6 Ag11 129.5(4) . . ?
C14 N6 N5 112.5(5) . . ?
N8 N7 Ag10 121.7(3) . . ?
C34 N7 Ag10 125.8(4) . . ?
C34 N7 N8 112.5(5) . . ?
N7 N8 Ag4 114.5(3) . . ?
C33 N8 Ag4 131.3(4) . . ?
C33 N8 N7 113.6(4) . . ?
C32 N9 Ag3 123.0(4) . . ?
C33 N9 Ag3 118.8(4) . . ?
C33 N9 C32 118.2(5) . . ?
N11 N10 Ag11 117.2(3) . . ?
C29 N10 Ag11 128.7(4) . . ?
C29 N10 N11 113.8(5) . . ?
N10 N11 Ag2 116.4(3) . . ?
C28 N11 Ag2 130.3(4) . . ?
C28 N11 N10 112.4(5) . . ?
C27 N12 Ag1 122.0(4) . . ?
C28 N12 Ag1 119.4(4) . . ?
C28 N12 C27 117.1(5) . . ?
C37 N13 Ag3 123.9(4) . . ?
C37 N13 C38 117.2(5) . . ?
C38 N13 Ag3 118.7(4) . . ?
N15 N14 Ag4 115.1(3) . . ?
C38 N14 Ag4 132.9(4) . . ?
C38 N14 N15 111.9(4) . . ?
N14 N15 Ag6 117.3(3) . . ?
C39 N15 Ag6 129.5(4) . . ?
C39 N15 N14 113.0(4) . . ?
C23 N16 Ag1 119.7(4) . . ?
C23 N16 C24 116.8(5) . . ?
C24 N16 Ag1 122.6(4) . . ?
N18 N17 Ag2 116.0(4) . . ?
C23 N17 Ag2 130.3(4) . . ?
C23 N17 N18 113.6(5) . . ?
N17 N18 Ag5 119.1(4) . . ?
C22 N18 Ag5 127.9(4) . . ?
C22 N18 N17 112.9(5) . . ?
C8 N19 Ag8 120.2(4) . . ?
C8 N19 C9 116.4(5) . . ?
C9 N19 Ag8 121.5(4) . . ?
N21 N20 Ag7 116.7(3) . . ?
C8 N20 Ag7 131.2(4) . . ?
C8 N20 N21 111.8(5) . . ?
N20 N21 Ag6 117.0(3) . . ?
C7 N21 Ag6 128.7(4) . . ?
C7 N21 N20 113.9(5) . . ?
C3 N22 Ag9 118.2(4) . . ?
C3 N22 C4 118.9(5) . . ?
C4 N22 Ag9 122.9(4) . . ?
N24 N23 Ag10 114.0(3) . . ?
C3 N23 Ag10 130.5(4) . . ?
C3 N23 N24 114.7(5) . . ?
N23 N24 Ag4 122.2(3) . . ?
C2 N24 Ag4 125.5(4) . . ?
C2 N24 N23 112.3(5) . . ?
N24 C2 S2 114.0(4) . . ?
N24 C2 C1 122.7(5) . . ?
C1 C2 S2 123.3(5) . . ?
N22 C3 S2 124.7(4) . . ?
N23 C3 S2 111.7(4) . . ?
N23 C3 N22 123.6(5) . . ?
O7 C4 N22 122.9(5) . . ?
O7 C4 C5 119.7(5) . . ?
N22 C4 C5 117.4(5) . . ?
N21 C7 S3 113.3(5) . . ?
N21 C7 C6 124.2(6) . . ?
C6 C7 S3 122.5(5) . . ?
N19 C8 S3 126.0(5) . . ?
N20 C8 S3 112.8(4) . . ?
N20 C8 N19 121.3(5) . . ?
O6 C9 N19 123.3(6) . . ?
O6 C9 C10 120.5(6) . . ?
N19 C9 C10 116.1(6) . . ?
O5 C12 N4 122.9(5) . . ?
O5 C12 C11 121.2(5) . . ?
N4 C12 C11 115.9(5) . . ?
N4 C13 S7 125.7(4) . . ?
N5 C13 S7 113.0(4) . . ?
N5 C13 N4 121.3(5) . . ?
N6 C14 S7 114.4(4) . . ?
N6 C14 C15 123.8(5) . . ?
C15 C14 S7 121.8(5) . . ?
O8 C17 N1 122.5(7) . . ?
O8 C17 C16 120.7(6) . . ?
N1 C17 C16 116.8(6) . . ?
N1 C18 S8 125.6(5) . . ?
N2 C18 S8 111.7(5) . . ?
N2 C18 N1 122.7(6) . . ?
N3 C19 S8 113.7(5) . . ?
N3 C19 C20 123.2(7) . . ?
C20 C19 S8 123.1(6) . . ?
N18 C22 S5 113.6(5) . . ?
N18 C22 C21 123.0(6) . . ?
C21 C22 S5 123.4(6) . . ?
N16 C23 S5 126.2(5) . . ?
N17 C23 S5 111.7(4) . . ?
N17 C23 N16 122.1(5) . . ?
O1 C24 N16 123.2(6) . . ?
O1 C24 C25 120.4(6) . . ?
N16 C24 C25 116.4(5) . . ?
O3 C27 N12 122.7(6) . . ?
O3 C27 C26 121.2(5) . . ?
N12 C27 C26 116.1(5) . . ?
N11 C28 S6 112.6(4) . . ?
N11 C28 N12 122.7(5) . . ?
N12 C28 S6 124.7(4) . . ?
N10 C29 S6 113.5(4) . . ?
N10 C29 C30 124.4(5) . . ?
C30 C29 S6 122.0(5) . . ?
O4 C32 N9 122.1(5) . . ?
O4 C32 C31 120.7(5) . . ?
N9 C32 C31 117.1(5) . . ?
N8 C33 S1 112.2(4) . . ?
N8 C33 N9 122.2(5) . . ?
N9 C33 S1 125.6(4) . . ?
N7 C34 S1 114.1(4) . . ?
N7 C34 C35 122.9(6) . . ?
C35 C34 S1 122.9(5) . . ?
O2 C37 N13 123.2(5) . . ?
O2 C37 C36 120.9(5) . . ?
N13 C37 C36 115.9(5) . . ?
N13 C38 S4 125.5(4) . . ?
N14 C38 S4 113.5(4) . . ?
N14 C38 N13 121.0(5) . . ?
N15 C39 S4 114.0(4) . . ?
N15 C39 C40 123.9(5) . . ?
C40 C39 S4 122.1(4) . . ?
O9 C41 C42 117.8(7) . . ?
O10 C41 O9 128.3(9) . . ?
O10 C41 C42 113.8(7) . . ?
F4 C42 F5 108.0(7) . . ?
F4 C42 F6 105.4(8) . . ?
F4 C42 C41 110.9(6) . . ?
F5 C42 F6 106.2(7) . . ?
F5 C42 C41 111.7(8) . . ?
F6 C42 C41 114.2(6) . . ?
O11 C43 C44 117.5(6) . . ?
O12 C43 O11 129.4(7) . . ?
O12 C43 C44 113.1(7) . . ?
F1 C44 C43 115.2(5) . . ?
F2 C44 F1 106.0(6) . . ?
F2 C44 F3 106.7(7) . . ?
F2 C44 C43 112.9(7) . . ?
F3 C44 F1 105.7(6) . . ?
F3 C44 C43 109.9(6) . . ?
Cl2 C45 Cl3 108.9(6) . . ?
Cl4 C45 Cl2 111.8(5) . . ?
Cl4 C45 Cl3 108.1(5) . . ?
Cl5 C46 Cl6 108.3(6) . . ?
Cl5 C46 Cl7 113.7(6) . . ?
Cl7 C46 Cl6 106.0(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N12 C27 O3 -167.2(5) . . . . ?
Ag1 N12 C27 C26 13.3(7) . . . . ?
Ag1 N12 C28 S6 173.0(3) . . . . ?
Ag1 N12 C28 N11 -9.3(7) . . . . ?
Ag1 N16 C23 S5 -169.4(3) . . . . ?
Ag1 N16 C23 N17 9.5(7) . . . . ?
Ag1 N16 C24 O1 170.8(5) . . . . ?
Ag1 N16 C24 C25 -8.7(7) . . . . ?
Ag2 O11 C43 O12 -72.2(10) . . . . ?
Ag2 O11 C43 C44 106.9(6) . . . . ?
Ag2 N11 C28 S6 -170.4(3) . . . . ?
Ag2 N11 C28 N12 11.7(8) . . . . ?
Ag2 N17 N18 Ag5 -5.4(5) . . . . ?
Ag2 N17 N18 C22 177.0(4) . . . . ?
Ag2 N17 C23 S5 -176.0(3) . . . . ?
Ag2 N17 C23 N16 4.9(8) . . . . ?
Ag3 N9 C32 O4 175.9(4) . . . . ?
Ag3 N9 C32 C31 -6.9(7) . . . . ?
Ag3 N9 C33 S1 178.6(3) . . . . ?
Ag3 N9 C33 N8 1.5(7) . . . . ?
Ag3 N13 C37 O2 177.1(5) . . . . ?
Ag3 N13 C37 C36 -2.4(8) . . . . ?
Ag3 N13 C38 S4 -169.4(3) . . . . ?
Ag3 N13 C38 N14 8.5(7) . . . . ?
Ag4 N8 C33 S1 168.5(3) . . . . ?
Ag4 N8 C33 N9 -14.0(8) . . . . ?
Ag4 N14 N15 Ag6 3.5(5) . . . . ?
Ag4 N14 N15 C39 179.0(4) . . . . ?
Ag4 N14 C38 S4 -177.4(3) . . . . ?
Ag4 N14 C38 N13 4.4(8) . . . . ?
Ag4 N24 C2 S2 178.8(3) . . . . ?
Ag4 N24 C2 C1 0.8(9) . . . . ?
Ag5 N3 C19 S8 -174.6(3) . . . . ?
Ag5 N3 C19 C20 4.6(11) . . . . ?
Ag5 N18 C22 S5 -177.7(3) . . . . ?
Ag5 N18 C22 C21 2.4(10) . . . . ?
Ag6 O9 C41 O10 -174.3(6) . . . . ?
Ag6 O9 C41 C42 2.8(10) . . . . ?
Ag6 N15 C39 S4 173.0(3) . . . . ?
Ag6 N15 C39 C40 -6.1(9) . . . . ?
Ag6 N21 C7 S3 174.2(3) . . . . ?
Ag6 N21 C7 C6 -3.3(10) . . . . ?
Ag7 N2 N3 Ag5 -3.1(6) . . . . ?
Ag7 N2 N3 C19 -177.1(5) . . . . ?
Ag7 N2 C18 S8 177.2(3) . . . . ?
Ag7 N2 C18 N1 -3.7(9) . . . . ?
Ag7 N20 N21 Ag6 -0.9(5) . . . . ?
Ag7 N20 N21 C7 173.1(4) . . . . ?
Ag7 N20 C8 S3 -172.3(3) . . . . ?
Ag7 N20 C8 N19 6.5(9) . . . . ?
Ag8 N1 C17 O8 170.8(5) . . . . ?
Ag8 N1 C17 C16 -9.4(8) . . . . ?
Ag8 N1 C18 S8 -170.2(3) . . . . ?
Ag8 N1 C18 N2 10.8(8) . . . . ?
Ag8 N19 C8 S3 167.6(3) . . . . ?
Ag8 N19 C8 N20 -11.1(8) . . . . ?
Ag8 N19 C9 O6 -164.9(5) . . . . ?
Ag8 N19 C9 C10 16.9(7) . . . . ?
Ag9 N4 C12 O5 175.1(5) . . . . ?
Ag9 N4 C12 C11 -4.4(8) . . . . ?
Ag9 N4 C13 S7 -168.5(3) . . . . ?
Ag9 N4 C13 N5 9.9(7) . . . . ?
Ag9 N22 C3 S2 179.1(3) . . . . ?
Ag9 N22 C3 N23 0.2(8) . . . . ?
Ag9 N22 C4 O7 178.5(5) . . . . ?
Ag9 N22 C4 C5 -2.4(7) . . . . ?
Ag10 N5 N6 Ag11 7.7(5) . . . . ?
Ag10 N5 N6 C14 -176.5(4) . . . . ?
Ag10 N5 C13 S7 177.4(3) . . . . ?
Ag10 N5 C13 N4 -1.1(9) . . . . ?
Ag10 N7 N8 Ag4 9.4(5) . . . . ?
Ag10 N7 N8 C33 -178.7(4) . . . . ?
Ag10 N7 C34 S1 180.0(3) . . . . ?
Ag10 N7 C34 C35 2.3(9) . . . . ?
Ag10 N23 N24 Ag4 11.0(5) . . . . ?
Ag10 N23 N24 C2 -170.3(4) . . . . ?
Ag10 N23 C3 S2 167.9(3) . . . . ?
Ag10 N23 C3 N22 -13.1(9) . . . . ?
Ag11 O11 C43 O12 -179.8(7) . . . . ?
Ag11 O11 C43 C44 -0.8(10) . . . . ?
Ag11 N6 C14 S7 172.7(3) . . . . ?
Ag11 N6 C14 C15 -7.4(9) . . . . ?
Ag11 N10 N11 Ag2 -2.1(5) . . . . ?
Ag11 N10 N11 C28 -172.8(4) . . . . ?
Ag11 N10 C29 S6 172.8(3) . . . . ?
Ag11 N10 C29 C30 -4.6(9) . . . . ?
O9 C41 C42 F4 -106.3(8) . . . . ?
O9 C41 C42 F5 133.2(7) . . . . ?
O9 C41 C42 F6 12.6(10) . . . . ?
O10 C41 C42 F4 71.2(9) . . . . ?
O10 C41 C42 F5 -49.3(9) . . . . ?
O10 C41 C42 F6 -169.9(7) . . . . ?
O11 C43 C44 F1 8.0(9) . . . . ?
O11 C43 C44 F2 129.9(7) . . . . ?
O11 C43 C44 F3 -111.2(7) . . . . ?
O12 C43 C44 F1 -172.8(7) . . . . ?
O12 C43 C44 F2 -50.9(9) . . . . ?
O12 C43 C44 F3 68.0(9) . . . . ?
N2 N3 C19 S8 -0.8(8) . . . . ?
N2 N3 C19 C20 178.5(8) . . . . ?
N3 N2 C18 S8 0.0(6) . . . . ?
N3 N2 C18 N1 179.1(5) . . . . ?
N5 N6 C14 S7 -2.5(6) . . . . ?
N5 N6 C14 C15 177.5(5) . . . . ?
N6 N5 C13 S7 -1.3(6) . . . . ?
N6 N5 C13 N4 -179.8(5) . . . . ?
N7 N8 C33 S1 -1.7(6) . . . . ?
N7 N8 C33 N9 175.8(5) . . . . ?
N8 N7 C34 S1 0.6(6) . . . . ?
N8 N7 C34 C35 -177.1(5) . . . . ?
N10 N11 C28 S6 -1.3(6) . . . . ?
N10 N11 C28 N12 -179.2(5) . . . . ?
N11 N10 C29 S6 -0.1(6) . . . . ?
N11 N10 C29 C30 -177.4(6) . . . . ?
N14 N15 C39 S4 -1.8(6) . . . . ?
N14 N15 C39 C40 179.1(5) . . . . ?
N15 N14 C38 S4 -0.1(6) . . . . ?
N15 N14 C38 N13 -178.3(5) . . . . ?
N17 N18 C22 S5 -0.3(7) . . . . ?
N17 N18 C22 C21 179.7(7) . . . . ?
N18 N17 C23 S5 0.7(6) . . . . ?
N18 N17 C23 N16 -178.3(5) . . . . ?
N20 N21 C7 S3 1.0(7) . . . . ?
N20 N21 C7 C6 -176.5(6) . . . . ?
N21 N20 C8 S3 1.2(6) . . . . ?
N21 N20 C8 N19 -180.0(5) . . . . ?
N23 N24 C2 S2 0.1(7) . . . . ?
N23 N24 C2 C1 -177.8(6) . . . . ?
N24 N23 C3 S2 -1.3(6) . . . . ?
N24 N23 C3 N22 177.7(5) . . . . ?
C2 S2 C3 N22 -177.9(6) . . . . ?
C2 S2 C3 N23 1.1(5) . . . . ?
C3 S2 C2 N24 -0.6(5) . . . . ?
C3 S2 C2 C1 177.3(7) . . . . ?
C3 N22 C4 O7 -2.0(9) . . . . ?
C3 N22 C4 C5 177.2(5) . . . . ?
C3 N23 N24 Ag4 -177.9(4) . . . . ?
C3 N23 N24 C2 0.8(7) . . . . ?
C4 N22 C3 S2 -0.5(8) . . . . ?
C4 N22 C3 N23 -179.3(6) . . . . ?
C7 S3 C8 N19 -179.3(6) . . . . ?
C7 S3 C8 N20 -0.5(5) . . . . ?
C8 S3 C7 N21 -0.3(5) . . . . ?
C8 S3 C7 C6 177.3(6) . . . . ?
C8 N19 C9 O6 -0.5(9) . . . . ?
C8 N19 C9 C10 -178.7(5) . . . . ?
C8 N20 N21 Ag6 -175.4(4) . . . . ?
C8 N20 N21 C7 -1.4(7) . . . . ?
C9 N19 C8 S3 3.0(8) . . . . ?
C9 N19 C8 N20 -175.7(5) . . . . ?
C12 N4 C13 S7 6.8(8) . . . . ?
C12 N4 C13 N5 -174.9(5) . . . . ?
C13 S7 C14 N6 1.5(5) . . . . ?
C13 S7 C14 C15 -178.5(5) . . . . ?
C13 N4 C12 O5 0.1(9) . . . . ?
C13 N4 C12 C11 -179.4(5) . . . . ?
C13 N5 N6 Ag11 -173.3(4) . . . . ?
C13 N5 N6 C14 2.5(7) . . . . ?
C14 S7 C13 N4 178.4(5) . . . . ?
C14 S7 C13 N5 0.0(5) . . . . ?
C17 N1 C18 S8 2.3(8) . . . . ?
C17 N1 C18 N2 -176.6(6) . . . . ?
C18 S8 C19 N3 0.6(6) . . . . ?
C18 S8 C19 C20 -178.6(8) . . . . ?
C18 N1 C17 O8 -1.5(10) . . . . ?
C18 N1 C17 C16 178.2(6) . . . . ?
C18 N2 N3 Ag5 174.5(4) . . . . ?
C18 N2 N3 C19 0.5(8) . . . . ?
C19 S8 C18 N1 -179.4(6) . . . . ?
C19 S8 C18 N2 -0.3(5) . . . . ?
C22 S5 C23 N16 178.3(5) . . . . ?
C22 S5 C23 N17 -0.7(5) . . . . ?
C23 S5 C22 N18 0.6(5) . . . . ?
C23 S5 C22 C21 -179.5(7) . . . . ?
C23 N16 C24 O1 1.6(9) . . . . ?
C23 N16 C24 C25 -177.9(5) . . . . ?
C23 N17 N18 Ag5 177.4(4) . . . . ?
C23 N17 N18 C22 -0.2(7) . . . . ?
C24 N16 C23 S5 0.1(8) . . . . ?
C24 N16 C23 N17 179.0(5) . . . . ?
C27 N12 C28 S6 6.7(8) . . . . ?
C27 N12 C28 N11 -175.7(5) . . . . ?
C28 S6 C29 N10 -0.6(5) . . . . ?
C28 S6 C29 C30 176.9(6) . . . . ?
C28 N12 C27 O3 -1.3(9) . . . . ?
C28 N12 C27 C26 179.3(5) . . . . ?
C29 S6 C28 N11 1.1(4) . . . . ?
C29 S6 C28 N12 178.9(5) . . . . ?
C29 N10 N11 Ag2 171.6(4) . . . . ?
C29 N10 N11 C28 0.9(7) . . . . ?
C32 N9 C33 S1 -3.1(7) . . . . ?
C32 N9 C33 N8 179.8(5) . . . . ?
C33 S1 C34 N7 -1.3(5) . . . . ?
C33 S1 C34 C35 176.4(6) . . . . ?
C33 N9 C32 O4 -2.3(8) . . . . ?
C33 N9 C32 C31 174.9(5) . . . . ?
C34 S1 C33 N8 1.6(4) . . . . ?
C34 S1 C33 N9 -175.7(5) . . . . ?
C34 N7 N8 Ag4 -171.2(4) . . . . ?
C34 N7 N8 C33 0.7(7) . . . . ?
C37 N13 C38 S4 7.3(8) . . . . ?
C37 N13 C38 N14 -174.7(5) . . . . ?
C38 S4 C39 N15 1.4(5) . . . . ?
C38 S4 C39 C40 -179.4(5) . . . . ?
C38 N13 C37 O2 0.6(9) . . . . ?
C38 N13 C37 C36 -178.9(6) . . . . ?
C38 N14 N15 Ag6 -174.3(4) . . . . ?
C38 N14 N15 C39 1.2(7) . . . . ?
C39 S4 C38 N13 177.4(5) . . . . ?
C39 S4 C38 N14 -0.7(4) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
-1 0 1 2.192
1 0 1 3.077
-2 2 1 6.863

_platon_squeeze_details          
;
TITL 20170808-11 in P2(1)/n
CELL   24.7211   15.2232   24.7820     90.00    109.05     90.00
SPGR P21/n
# Solvent Accessible Volume =       960
# Electrons Found in S.A.V. =       365
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 0.220 0.188 0.051 !      11.08 eA-3
C102 0.455 0.150 0.171 !      10.20 eA-3
C103 0.234 0.966 0.074 !       8.30 eA-3
C104 0.931 0.942 0.157 !       7.70 eA-3
C105 0.429 0.074 0.142 !       6.19 eA-3
C106 0.235 0.020 0.033 !       6.10 eA-3
C107 0.726 0.855 0.040 !       5.50 eA-3
C108 0.070 0.104 0.890 !       5.41 eA-3
C109 0.686 0.411 0.454 !       4.76 eA-3
Q110 0.901 0.337 0.356 !       4.07 eA-3
C111 0.163 0.629 0.435 !       3.78 eA-3
Q112 0.669 0.847 0.060 !       3.57 eA-3
C113 0.219 0.605 0.471 !       3.17 eA-3
C114 0.776 0.886 0.009 !       2.80 eA-3
C115 0.447 0.488 0.676 !       2.75 eA-3
C116 0.249 0.607 0.483 !       2.73 eA-3
C117 0.741 0.347 0.505 !       2.48 eA-3
C118 0.957 0.858 0.172 !       2.40 eA-3
Q119 0.819 0.815 0.932 !       2.27 eA-3
Q120 0.767 0.718 0.508 !       1.28 eA-3
Q121 0.304 0.107 0.303 !       1.22 eA-3
Q122 0.469 0.514 0.658 !       1.15 eA-3
Q123 0.456 0.120 0.133 !       1.15 eA-3
C124 0.268 0.071 0.053 !       1.14 eA-3
Q125 0.319 0.141 0.423 !       1.13 eA-3
Q126 0.244 0.948 0.548 !       1.12 eA-3
Q127 0.025 0.501 0.368 !       1.10 eA-3
Q128 0.939 0.499 0.658 !       1.09 eA-3
Q129 0.147 0.460 0.017 !       1.07 eA-3
Q130 0.315 0.574 0.078 !       1.05 eA-3
C131 0.582 0.443 0.306 !       1.04 eA-3
Q132 0.627 0.890 0.088 !       1.04 eA-3
Q133 0.788 0.894 0.382 !       1.04 eA-3
Q134 0.856 0.352 0.813 !       1.03 eA-3
Q135 0.650 0.873 0.408 !       1.02 eA-3
Q136 0.588 0.921 0.402 !       1.00 eA-3
Q137 0.772 0.571 0.971 !       1.00 eA-3
Q138 0.967 0.927 0.149 !       0.99 eA-3
Q139 0.346 0.626 0.797 !       0.99 eA-3
Q140 0.111 0.671 0.756 !       0.98 eA-3
Q141 0.441 0.638 0.349 !       0.98 eA-3
Q142 0.726 0.359 0.889 !       0.97 eA-3
Q143 0.084 0.099 0.813 !       0.97 eA-3
Q144 0.135 0.420 0.132 !       0.96 eA-3
Q145 0.110 0.071 0.418 !       0.96 eA-3
C146 0.888 0.420 0.617 !       0.95 eA-3
Q147 0.275 0.107 0.454 !       0.94 eA-3
Q148 0.195 0.707 0.537 !       0.94 eA-3
Q149 0.863 0.547 0.861 !       0.93 eA-3
C150 0.804 0.863 0.979 !       0.91 eA-3
C151 0.124 0.577 0.418 !       0.91 eA-3
Q152 0.636 0.607 0.133 !       0.91 eA-3
Q153 0.138 0.958 0.510 !       0.90 eA-3
Q154 0.871 0.429 0.150 !       0.90 eA-3
Q155 0.736 0.824 0.648 !       0.90 eA-3
Q156 0.798 0.588 0.873 !       0.88 eA-3
Q157 0.165 0.430 0.036 !       0.88 eA-3
Q158 0.172 0.629 0.137 !       0.87 eA-3
Q159 0.638 0.396 0.868 !       0.87 eA-3
Q160 0.312 0.966 0.521 !       0.86 eA-3
Q161 0.129 0.849 0.854 !       0.85 eA-3
Q162 0.690 0.369 0.250 !       0.84 eA-3
Q163 0.158 0.514 0.131 !       0.84 eA-3
Q164 0.641 0.947 0.459 !       0.83 eA-3
Q165 0.436 0.834 0.134 !       0.83 eA-3
Q166 0.186 0.926 0.475 !       0.83 eA-3
Q167 0.852 0.808 0.909 !       0.83 eA-3
Q168 0.107 0.093 0.872 !       0.83 eA-3
Q169 0.978 0.949 0.192 !       0.81 eA-3
Q170 0.719 0.846 0.687 !       0.81 eA-3
Q171 0.383 0.984 0.596 !       0.81 eA-3
Q172 0.820 0.653 0.868 !       0.80 eA-3
Q173 0.362 0.619 0.823 !       0.80 eA-3
Q174 0.759 0.987 0.894 !       0.80 eA-3
Q175 0.243 0.721 0.027 !       0.80 eA-3
Q176 0.187 0.546 0.039 !       0.80 eA-3
Q177 0.736 0.561 0.537 !       0.79 eA-3
Q178 0.271 0.955 0.337 !       0.79 eA-3
Q179 0.212 0.411 0.077 !       0.78 eA-3
Q180 0.326 0.705 0.474 !       0.78 eA-3
Q181 0.167 0.880 0.585 !       0.77 eA-3
Q182 0.186 0.830 0.626 !       0.77 eA-3
Q183 0.324 0.055 0.587 !       0.77 eA-3
C184 0.700 0.766 0.020 !       0.76 eA-3
Q185 0.682 0.806 0.736 !       0.76 eA-3
Q186 0.136 0.944 0.634 !       0.76 eA-3
Q187 0.786 0.083 0.360 !       0.76 eA-3
Q188 0.828 0.604 0.817 !       0.76 eA-3
Q189 0.799 0.187 0.421 !       0.76 eA-3
Q190 0.497 0.552 0.644 !       0.75 eA-3
C191 0.047 0.061 0.798 !       0.75 eA-3
Q192 0.725 0.902 0.398 !       0.75 eA-3
Q193 0.997 0.610 0.038 !       0.75 eA-3
Q194 0.773 0.314 0.015 !       0.74 eA-3
Q195 0.742 0.639 0.505 !       0.74 eA-3
Q196 0.659 0.100 0.588 !       0.74 eA-3
Q197 0.271 0.092 0.926 !       0.74 eA-3
Q198 0.811 0.252 0.022 !       0.74 eA-3
C199 0.196 0.598 0.527 !       0.73 eA-3
;
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 0.255 0.097 1.009 241 91 ' '
2 0.745 -0.097 0.991 242 91 ' '
3 0.755 0.403 0.509 242 91 ' '
4 0.245 0.597 0.491 241 91 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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 1941074'
loop_
_audit_author_name
_audit_author_address
'Xiao-Yu Li'
;Nankai University
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-10-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H48 Ag11 Cl F6 N24 O14 S10, 2(C H Cl3)'
_chemical_formula_sum            'C44 H50 Ag11 Cl7 F6 N24 O14 S10'
_chemical_formula_weight         3008.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.7087(4)
_cell_length_b                   15.5291(2)
_cell_length_c                   24.6615(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.6031(19)
_cell_angle_gamma                90
_cell_volume                     8914.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23726
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.362
_cell_measurement_theta_min      3.421
_shelx_estimated_absorpt_T_max   0.648
_shelx_estimated_absorpt_T_min   0.536
_exptl_absorpt_coefficient_mu    23.736
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    2.242
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             5776
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23726
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.362
_diffrn_reflns_theta_min         3.421
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7871
_reflns_number_total             8820
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.629
_refine_diff_density_min         -3.490
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         8820
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0671
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0534P)²+366.7437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1617
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
S3 \\sim O3 \\sim N7 \\sim N8 \\sim N9 \\sim C11 \\sim C12 \\sim C13 \\sim C14
\\sim C22: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C22) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.002
3.a Ternary CH refined with riding coordinates:
 C21(H21)
3.b Me refined with riding coordinates:
 C15(H15A,H15B,H15C)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C19(H19A,H19B,H19C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.76822(9) 0.7500 0.1228(10) Uani 1 2 d S T P . .
Ag2 Ag 0.39029(4) 0.63238(6) 0.76126(4) 0.0530(2) Uani 1 1 d . . . . .
Ag3 Ag 0.30644(4) 0.62820(7) 0.81697(3) 0.0570(3) Uani 1 1 d . . . . .
Ag4 Ag 0.41183(3) 0.56880(6) 0.63785(3) 0.0454(2) Uani 1 1 d . . . . .
Ag5 Ag 0.52992(3) 0.45355(4) 0.69361(2) 0.02670(15) Uani 1 1 d . . . . .
Ag6 Ag 0.63580(3) 0.41958(4) 0.67523(2) 0.02873(16) Uani 1 1 d . . . . .
Cl1 Cl 0.5000 0.59249(17) 0.7500 0.0286(6) Uani 1 2 d S T P . .
S1 S 0.23393(12) 0.4692(3) 0.64304(11) 0.0588(9) Uani 1 1 d . . . . .
S2 S 0.53072(9) 0.60428(14) 0.52637(8) 0.0289(4) Uani 1 1 d . . . . .
S3 S 0.4370(2) 0.8531(2) 0.90048(17) 0.0824(13) Uani 1 1 d . U . . .
S4 S 0.64317(10) 0.27727(18) 0.84676(9) 0.0391(5) Uani 1 1 d . . . . .
S5 S 0.3475(3) 0.7858(3) 0.6264(2) 0.123(3) Uani 1 1 d . . . . .
F1 F 0.2975(6) 0.6635(8) 0.5567(4) 0.133(5) Uani 1 1 d . . . . .
F2 F 0.2410(8) 0.7713(10) 0.5533(5) 0.191(9) Uani 1 1 d . . . . .
F3 F 0.2608(4) 0.6840(8) 0.6249(4) 0.104(4) Uani 1 1 d . . . . .
O1 O 0.6184(3) 0.5328(5) 0.5128(3) 0.0441(17) Uani 1 1 d . . . . .
O2 O 0.7227(3) 0.2400(6) 0.8055(3) 0.050(2) Uani 1 1 d . . . . .
O3 O 0.3699(4) 0.8089(6) 0.9534(4) 0.0668(14) Uani 1 1 d . U . . .
O4 O 0.1687(4) 0.4852(8) 0.7019(4) 0.076(3) Uani 1 1 d . . . . .
O5 O 0.3632(11) 0.8200(9) 0.5799(8) 0.196(11) Uani 1 1 d . . . . .
O6 O 0.3269(7) 0.8473(8) 0.6580(6) 0.124(6) Uani 1 1 d . . . . .
O7 O 0.3875(5) 0.7227(6) 0.6624(5) 0.086(3) Uani 1 1 d . . . . .
N1 N 0.4757(3) 0.5808(5) 0.5953(3) 0.0339(17) Uani 1 1 d . . . . .
N2 N 0.5234(3) 0.5284(5) 0.6157(3) 0.0272(15) Uani 1 1 d . . . . .
N3 N 0.6067(3) 0.4877(5) 0.5967(3) 0.0301(16) Uani 1 1 d . . . . .
N4 N 0.5559(3) 0.3765(5) 0.8146(3) 0.0271(15) Uani 1 1 d . . . . .
N5 N 0.5814(3) 0.3834(5) 0.7726(3) 0.0256(14) Uani 1 1 d . . . . .
N6 N 0.6612(3) 0.3396(5) 0.7491(3) 0.0307(16) Uani 1 1 d . . . . .
N7 N 0.3594(5) 0.7186(8) 0.8781(5) 0.0655(12) Uani 1 1 d . U . . .
N8 N 0.4190(5) 0.7387(8) 0.8228(5) 0.0678(12) Uani 1 1 d . U . . .
N9 N 0.4601(5) 0.7920(8) 0.8150(5) 0.0702(13) Uani 1 1 d . U . . .
N10 N 0.3341(4) 0.5233(7) 0.6530(3) 0.045(2) Uani 1 1 d . . . . .
N11 N 0.3254(4) 0.5479(6) 0.7041(3) 0.046(2) Uani 1 1 d . . . . .
N12 N 0.2572(4) 0.5430(7) 0.7506(4) 0.055(3) Uani 1 1 d . . . . .
C1 C 0.5648(5) 0.3080(8) 0.9070(4) 0.048(3) Uani 1 1 d . . . . .
H1A H 0.5680 0.2476 0.9159 0.072 Uiso 1 1 calc GR . . . .
H1B H 0.5256 0.3259 0.8983 0.072 Uiso 1 1 calc GR . . . .
H1C H 0.5889 0.3399 0.9394 0.072 Uiso 1 1 calc GR . . . .
C2 C 0.5834(4) 0.3244(7) 0.8559(4) 0.035(2) Uani 1 1 d . . . . .
C3 C 0.6284(3) 0.3371(6) 0.7833(3) 0.0281(18) Uani 1 1 d . . . . .
C4 C 0.7096(4) 0.2902(7) 0.7645(4) 0.037(2) Uani 1 1 d . . . . .
C5 C 0.7485(5) 0.3007(8) 0.7292(4) 0.046(3) Uani 1 1 d . . . . .
H5A H 0.7839 0.3269 0.7523 0.069 Uiso 1 1 calc GR . . . .
H5B H 0.7300 0.3366 0.6965 0.069 Uiso 1 1 calc GR . . . .
H5C H 0.7562 0.2452 0.7162 0.069 Uiso 1 1 calc GR . . . .
C6 C 0.4279(5) 0.6876(7) 0.5207(5) 0.049(3) Uani 1 1 d . . . . .
H6A H 0.4409 0.7449 0.5327 0.073 Uiso 1 1 calc GR . . . .
H6B H 0.3941 0.6754 0.5303 0.073 Uiso 1 1 calc GR . . . .
H6C H 0.4190 0.6827 0.4798 0.073 Uiso 1 1 calc GR . . . .
C7 C 0.4739(4) 0.6250(6) 0.5503(4) 0.0323(19) Uani 1 1 d . . . . .
C8 C 0.5565(4) 0.5336(5) 0.5836(3) 0.0253(16) Uani 1 1 d . . . . .
C9 C 0.6358(4) 0.4914(7) 0.5585(4) 0.040(2) Uani 1 1 d . . . . .
C10 C 0.6916(5) 0.4423(9) 0.5756(5) 0.055(3) Uani 1 1 d . . . . .
H10A H 0.6841 0.3821 0.5784 0.082 Uiso 1 1 calc GR . . . .
H10B H 0.7165 0.4628 0.6122 0.082 Uiso 1 1 calc GR . . . .
H10C H 0.7097 0.4506 0.5471 0.082 Uiso 1 1 calc GR . . . .
C11 C 0.2977(6) 0.7007(9) 0.9364(6) 0.0654(16) Uani 1 1 d . U . . .
H11A H 0.3138 0.6564 0.9643 0.098 Uiso 1 1 calc GR . . . .
H11B H 0.2725 0.6752 0.9016 0.098 Uiso 1 1 calc GR . . . .
H11C H 0.2766 0.7405 0.9513 0.098 Uiso 1 1 calc GR . . . .
C12 C 0.3453(6) 0.7474(10) 0.9237(6) 0.0655(12) Uani 1 1 d . U . . .
C13 C 0.4008(7) 0.7620(9) 0.8648(6) 0.0664(12) Uani 1 1 d . U . . .
C14 C 0.4706(7) 0.8546(10) 0.8505(7) 0.0724(14) Uani 1 1 d . U . . .
C15 C 0.1816(7) 0.5415(10) 0.7951(6) 0.074(4) Uani 1 1 d . . . . .
H15A H 0.2124 0.5691 0.8245 0.111 Uiso 1 1 calc R . . . .
H15B H 0.1490 0.5792 0.7828 0.111 Uiso 1 1 calc R . . . .
H15C H 0.1713 0.4892 0.8100 0.111 Uiso 1 1 calc R . . . .
C16 C 0.2007(6) 0.5207(10) 0.7447(6) 0.062(4) Uani 1 1 d . . . . .
C17 C 0.2745(5) 0.5251(8) 0.7050(4) 0.050(3) Uani 1 1 d . . . . .
C18 C 0.2907(5) 0.4826(9) 0.6179(5) 0.052(3) Uani 1 1 d . . . . .
C19 C 0.2875(5) 0.4525(11) 0.5596(5) 0.066(4) Uani 1 1 d . . . . .
H19A H 0.2772 0.3927 0.5554 0.099 Uiso 1 1 calc GR . . . .
H19B H 0.3242 0.4601 0.5548 0.099 Uiso 1 1 calc GR . . . .
H19C H 0.2590 0.4854 0.5309 0.099 Uiso 1 1 calc GR . . . .
C20 C 0.2798(10) 0.7191(12) 0.5870(7) 0.104(7) Uani 1 1 d . . . . .
C22 C 0.5106(7) 0.9165(11) 0.8525(7) 0.0794(18) Uani 1 1 d . U . . .
H22A H 0.4961 0.9719 0.8582 0.119 Uiso 1 1 calc GR . . . .
H22B H 0.5185 0.9167 0.8169 0.119 Uiso 1 1 calc GR . . . .
H22C H 0.5454 0.9045 0.8837 0.119 Uiso 1 1 calc GR . . . .
Cl2 Cl 0.47857(15) 0.9015(3) 0.43760(15) 0.0740(9) Uani 1 1 d . . . . .
Cl3 Cl 0.3829(2) 0.8078(3) 0.36350(18) 0.0999(15) Uani 1 1 d . . . . .
Cl4 Cl 0.37409(19) 0.8941(3) 0.46312(17) 0.0885(13) Uani 1 1 d . . . . .
C21 C 0.4038(6) 0.8973(9) 0.4079(5) 0.064(3) Uani 1 1 d . . . . .
H21 H 0.3902 0.9493 0.3848 0.077 Uiso 1 1 calc R . . . .


_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 Cl1 2.729(3) . ?
Ag1 N9 2.177(11) . ?
Ag1 N9 2.177(11) 2_656 ?
Ag2 Ag3 2.8449(11) . ?
Ag2 Ag5 3.3711(10) 2_656 ?
Ag2 Cl1 2.8835(10) . ?
Ag2 N8 2.193(13) . ?
Ag2 N11 2.182(10) . ?
Ag3 N7 2.151(13) . ?
Ag3 N12 2.138(12) . ?
Ag4 Ag5 3.3039(9) . ?
Ag4 Cl1 2.9133(9) . ?
Ag4 O7 2.584(10) . ?
Ag4 N1 2.175(7) . ?
Ag4 N10 2.194(9) . ?
Ag5 Ag2 3.3711(10) 2_656 ?
Ag5 Ag6 2.8502(8) . ?
Ag5 Cl1 2.797(2) . ?
Ag5 N2 2.206(7) . ?
Ag5 N4 2.384(7) 2_656 ?
Ag5 N5 2.223(7) . ?
Ag6 N3 2.109(7) . ?
Ag6 N6 2.118(7) . ?
Cl1 Ag2 2.8835(10) 2_656 ?
Cl1 Ag4 2.9134(9) 2_656 ?
Cl1 Ag5 2.797(2) 2_656 ?
S1 C17 1.751(13) . ?
S1 C18 1.725(11) . ?
S2 C7 1.727(9) . ?
S2 C8 1.733(8) . ?
S3 C13 1.745(17) . ?
S3 C14 1.702(14) . ?
S4 C2 1.730(9) . ?
S4 C3 1.749(8) . ?
S5 O5 1.431(11) . ?
S5 O6 1.430(10) . ?
S5 O7 1.462(11) . ?
S5 C20 1.93(3) . ?
F1 C20 1.309(18) . ?
F2 C20 1.316(17) . ?
F3 C20 1.30(2) . ?
O1 C9 1.241(12) . ?
O2 C4 1.230(11) . ?
O3 C12 1.232(18) . ?
O4 C16 1.218(18) . ?
N1 N2 1.382(10) . ?
N1 C7 1.292(11) . ?
N2 C8 1.315(10) . ?
N3 C8 1.371(11) . ?
N3 C9 1.367(11) . ?
N4 Ag5 2.384(7) 2_656 ?
N4 N5 1.385(9) . ?
N4 C2 1.300(11) . ?
N5 C3 1.314(11) . ?
N6 C3 1.354(10) . ?
N6 C4 1.364(12) . ?
N7 C12 1.361(15) . ?
N7 C13 1.354(18) . ?
N8 N9 1.372(17) . ?
N8 C13 1.313(15) . ?
N9 C14 1.275(19) . ?
N10 N11 1.400(11) . ?
N10 C18 1.294(16) . ?
N11 C17 1.314(14) . ?
N12 C16 1.398(17) . ?
N12 C17 1.360(13) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.499(12) . ?
C4 C5 1.506(13) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 C7 1.488(13) . ?
C9 C10 1.505(14) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 C12 1.499(19) . ?
C14 C22 1.37(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 C16 1.503(16) . ?
C18 C19 1.489(16) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
Cl2 C21 1.746(15) . ?
Cl3 C21 1.738(15) . ?
Cl4 C21 1.752(14) . ?
C21 H21 0.9800 . ?

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
N9 Ag1 Cl1 99.8(3) 2_656 . ?
N9 Ag1 Cl1 99.8(3) . . ?
N9 Ag1 N9 160.4(7) 2_656 . ?
Ag3 Ag2 Ag5 105.18(3) . 2_656 ?
Ag3 Ag2 Cl1 154.43(4) . . ?
Cl1 Ag2 Ag5 52.43(5) . 2_656 ?
N8 Ag2 Ag3 78.6(3) . . ?
N8 Ag2 Ag5 112.0(3) . 2_656 ?
N8 Ag2 Cl1 97.6(3) . . ?
N11 Ag2 Ag3 78.6(2) . . ?
N11 Ag2 Ag5 86.5(2) . 2_656 ?
N11 Ag2 Cl1 108.6(2) . . ?
N11 Ag2 N8 153.7(4) . . ?
N7 Ag3 Ag2 87.3(3) . . ?
N12 Ag3 Ag2 88.0(2) . . ?
N12 Ag3 N7 174.7(4) . . ?
Cl1 Ag4 Ag5 53.03(4) . . ?
O7 Ag4 Ag5 130.2(3) . . ?
O7 Ag4 Cl1 79.6(3) . . ?
N1 Ag4 Ag5 64.22(19) . . ?
N1 Ag4 Cl1 90.8(2) . . ?
N1 Ag4 O7 107.2(3) . . ?
N1 Ag4 N10 158.1(3) . . ?
N10 Ag4 Ag5 117.2(2) . . ?
N10 Ag4 Cl1 107.3(2) . . ?
N10 Ag4 O7 88.4(3) . . ?
Ag4 Ag5 Ag2 91.61(3) . 2_656 ?
Ag6 Ag5 Ag2 74.85(2) . 2_656 ?
Ag6 Ag5 Ag4 139.79(3) . . ?
Cl1 Ag5 Ag2 54.79(3) . 2_656 ?
Cl1 Ag5 Ag4 56.31(2) . . ?
Cl1 Ag5 Ag6 129.17(3) . . ?
N2 Ag5 Ag2 73.56(19) . 2_656 ?
N2 Ag5 Ag4 63.65(18) . . ?
N2 Ag5 Ag6 76.17(18) . . ?
N2 Ag5 Cl1 94.18(19) . . ?
N2 Ag5 N4 112.8(3) . 2_656 ?
N2 Ag5 N5 151.1(3) . . ?
N4 Ag5 Ag2 147.83(17) 2_656 2_656 ?
N4 Ag5 Ag4 66.42(18) 2_656 . ?
N4 Ag5 Ag6 137.03(18) 2_656 . ?
N4 Ag5 Cl1 93.05(17) 2_656 . ?
N5 Ag5 Ag2 90.85(19) . 2_656 ?
N5 Ag5 Ag4 142.80(17) . . ?
N5 Ag5 Ag6 76.26(17) . . ?
N5 Ag5 Cl1 96.39(18) . . ?
N5 Ag5 N4 93.5(2) . 2_656 ?
N3 Ag6 Ag5 90.27(19) . . ?
N3 Ag6 N6 174.0(3) . . ?
N6 Ag6 Ag5 89.71(19) . . ?
Ag1 Cl1 Ag2 77.59(6) . 2_656 ?
Ag1 Cl1 Ag2 77.59(6) . . ?
Ag1 Cl1 Ag4 97.25(6) . 2_656 ?
Ag1 Cl1 Ag4 97.25(6) . . ?
Ag1 Cl1 Ag5 140.47(4) . 2_656 ?
Ag1 Cl1 Ag5 140.47(4) . . ?
Ag2 Cl1 Ag2 155.19(11) . 2_656 ?
Ag2 Cl1 Ag4 71.99(2) 2_656 2_656 ?
Ag2 Cl1 Ag4 111.31(2) . 2_656 ?
Ag2 Cl1 Ag4 71.99(2) . . ?
Ag2 Cl1 Ag4 111.31(2) 2_656 . ?
Ag4 Cl1 Ag4 165.49(11) . 2_656 ?
Ag5 Cl1 Ag2 72.78(3) 2_656 . ?
Ag5 Cl1 Ag2 128.86(7) 2_656 2_656 ?
Ag5 Cl1 Ag2 72.78(3) . 2_656 ?
Ag5 Cl1 Ag2 128.86(7) . . ?
Ag5 Cl1 Ag4 97.84(6) . 2_656 ?
Ag5 Cl1 Ag4 70.66(4) 2_656 2_656 ?
Ag5 Cl1 Ag4 70.66(4) . . ?
Ag5 Cl1 Ag4 97.84(6) 2_656 . ?
Ag5 Cl1 Ag5 79.07(7) 2_656 . ?
C18 S1 C17 87.6(6) . . ?
C7 S2 C8 87.6(4) . . ?
C14 S3 C13 86.5(7) . . ?
C2 S4 C3 87.8(4) . . ?
O5 S5 O7 115.2(9) . . ?
O5 S5 C20 102.6(13) . . ?
O6 S5 O5 115.4(7) . . ?
O6 S5 O7 114.2(8) . . ?
O6 S5 C20 103.1(10) . . ?
O7 S5 C20 104.0(7) . . ?
S5 O7 Ag4 129.9(8) . . ?
N2 N1 Ag4 116.4(5) . . ?
C7 N1 Ag4 129.6(6) . . ?
C7 N1 N2 113.7(7) . . ?
N1 N2 Ag5 115.4(5) . . ?
C8 N2 Ag5 132.6(6) . . ?
C8 N2 N1 111.9(7) . . ?
C8 N3 Ag6 118.7(5) . . ?
C9 N3 Ag6 124.0(6) . . ?
C9 N3 C8 117.4(7) . . ?
N5 N4 Ag5 120.9(5) . 2_656 ?
C2 N4 Ag5 126.5(6) . 2_656 ?
C2 N4 N5 112.7(7) . . ?
N4 N5 Ag5 115.0(5) . . ?
C3 N5 Ag5 130.7(5) . . ?
C3 N5 N4 113.6(7) . . ?
C3 N6 Ag6 119.1(6) . . ?
C3 N6 C4 117.6(7) . . ?
C4 N6 Ag6 123.3(5) . . ?
C12 N7 Ag3 122.0(10) . . ?
C13 N7 Ag3 119.1(9) . . ?
C13 N7 C12 117.4(13) . . ?
N9 N8 Ag2 116.1(8) . . ?
C13 N8 Ag2 129.5(11) . . ?
C13 N8 N9 114.3(13) . . ?
N8 N9 Ag1 122.7(9) . . ?
C14 N9 Ag1 126.6(11) . . ?
C14 N9 N8 110.7(11) . . ?
N11 N10 Ag4 118.2(7) . . ?
C18 N10 Ag4 128.3(7) . . ?
C18 N10 N11 113.2(8) . . ?
N10 N11 Ag2 116.4(7) . . ?
C17 N11 Ag2 130.6(8) . . ?
C17 N11 N10 112.1(10) . . ?
C16 N12 Ag3 121.7(8) . . ?
C17 N12 Ag3 120.2(9) . . ?
C17 N12 C16 116.3(11) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
N4 C2 S4 113.9(6) . . ?
N4 C2 C1 122.6(8) . . ?
C1 C2 S4 123.6(7) . . ?
N5 C3 S4 112.1(6) . . ?
N5 C3 N6 122.2(7) . . ?
N6 C3 S4 125.7(6) . . ?
O2 C4 N6 123.3(8) . . ?
O2 C4 C5 120.1(8) . . ?
N6 C4 C5 116.5(8) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
N1 C7 S2 113.4(7) . . ?
N1 C7 C6 124.7(9) . . ?
C6 C7 S2 121.8(7) . . ?
N2 C8 S2 113.3(6) . . ?
N2 C8 N3 121.4(7) . . ?
N3 C8 S2 125.3(6) . . ?
O1 C9 N3 123.0(9) . . ?
O1 C9 C10 121.6(9) . . ?
N3 C9 C10 115.4(9) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
O3 C12 N7 122.2(13) . . ?
O3 C12 C11 121.2(11) . . ?
N7 C12 C11 116.7(14) . . ?
N7 C13 S3 125.7(10) . . ?
N8 C13 S3 111.5(11) . . ?
N8 C13 N7 122.8(14) . . ?
N9 C14 S3 116.8(12) . . ?
N9 C14 C22 122.6(14) . . ?
C22 C14 S3 120.4(13) . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
O4 C16 N12 122.5(11) . . ?
O4 C16 C15 121.4(13) . . ?
N12 C16 C15 116.1(14) . . ?
N11 C17 S1 113.0(8) . . ?
N11 C17 N12 121.8(12) . . ?
N12 C17 S1 125.2(9) . . ?
N10 C18 S1 114.2(8) . . ?
N10 C18 C19 124.2(10) . . ?
C19 C18 S1 121.5(10) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
F1 C20 S5 103.9(16) . . ?
F1 C20 F2 111.0(13) . . ?
F2 C20 S5 108.2(16) . . ?
F3 C20 S5 108.9(12) . . ?
F3 C20 F1 113.9(16) . . ?
F3 C20 F2 110.6(19) . . ?
C14 C22 H22A 109.5 . . ?
C14 C22 H22B 109.5 . . ?
C14 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Cl2 C21 Cl4 109.6(7) . . ?
Cl2 C21 H21 108.8 . . ?
Cl3 C21 Cl2 110.1(8) . . ?
Cl3 C21 Cl4 110.7(8) . . ?
Cl3 C21 H21 108.8 . . ?
Cl4 C21 H21 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N9 C14 S3 -175.0(7) . . . . ?
Ag1 N9 C14 C22 -1(2) . . . . ?
Ag2 N8 N9 Ag1 -4.7(13) . . . . ?
Ag2 N8 N9 C14 175.5(10) . . . . ?
Ag2 N8 C13 S3 -178.7(7) . . . . ?
Ag2 N8 C13 N7 2(2) . . . . ?
Ag2 N11 C17 S1 170.5(5) . . . . ?
Ag2 N11 C17 N12 -10.6(16) . . . . ?
Ag3 N7 C12 O3 -168.1(10) . . . . ?
Ag3 N7 C12 C11 11.8(16) . . . . ?
Ag3 N7 C13 S3 165.2(8) . . . . ?
Ag3 N7 C13 N8 -15.6(18) . . . . ?
Ag3 N12 C16 O4 166.7(10) . . . . ?
Ag3 N12 C16 C15 -14.5(15) . . . . ?
Ag3 N12 C17 S1 -170.7(6) . . . . ?
Ag3 N12 C17 N11 10.6(14) . . . . ?
Ag4 N1 N2 Ag5 -6.6(8) . . . . ?
Ag4 N1 N2 C8 173.4(6) . . . . ?
Ag4 N1 C7 S2 -172.1(5) . . . . ?
Ag4 N1 C7 C6 7.5(15) . . . . ?
Ag4 N10 N11 Ag2 1.7(8) . . . . ?
Ag4 N10 N11 C17 172.6(7) . . . . ?
Ag4 N10 C18 S1 -172.7(5) . . . . ?
Ag4 N10 C18 C19 4.7(18) . . . . ?
Ag5 N2 C8 S2 -179.7(4) . . . . ?
Ag5 N2 C8 N3 -1.0(13) . . . . ?
Ag5 N4 N5 Ag5 -8.8(8) 2_656 . . . ?
Ag5 N4 N5 C3 -180.0(6) 2_656 . . . ?
Ag5 N4 C2 S4 178.2(4) 2_656 . . . ?
Ag5 N4 C2 C1 -2.4(14) 2_656 . . . ?
Ag5 N5 C3 S4 -167.3(4) . . . . ?
Ag5 N5 C3 N6 14.8(13) . . . . ?
Ag6 N3 C8 S2 171.1(4) . . . . ?
Ag6 N3 C8 N2 -7.5(11) . . . . ?
Ag6 N3 C9 O1 -179.0(8) . . . . ?
Ag6 N3 C9 C10 0.4(14) . . . . ?
Ag6 N6 C3 S4 -178.4(5) . . . . ?
Ag6 N6 C3 N5 -0.8(12) . . . . ?
Ag6 N6 C4 O2 -175.7(8) . . . . ?
Ag6 N6 C4 C5 5.5(13) . . . . ?
O5 S5 O7 Ag4 -67.8(14) . . . . ?
O6 S5 O7 Ag4 155.2(9) . . . . ?
N1 N2 C8 S2 0.3(9) . . . . ?
N1 N2 C8 N3 179.1(8) . . . . ?
N2 N1 C7 S2 1.8(11) . . . . ?
N2 N1 C7 C6 -178.6(9) . . . . ?
N4 N5 C3 S4 2.1(10) . . . . ?
N4 N5 C3 N6 -175.8(8) . . . . ?
N5 N4 C2 S4 -0.8(10) . . . . ?
N5 N4 C2 C1 178.6(9) . . . . ?
N8 N9 C14 S3 4.7(17) . . . . ?
N8 N9 C14 C22 178.9(15) . . . . ?
N9 N8 C13 S3 -2.4(15) . . . . ?
N9 N8 C13 N7 178.4(13) . . . . ?
N10 N11 C17 S1 1.4(11) . . . . ?
N10 N11 C17 N12 -179.8(9) . . . . ?
N11 N10 C18 S1 -0.1(12) . . . . ?
N11 N10 C18 C19 177.3(11) . . . . ?
C2 S4 C3 N5 -2.1(7) . . . . ?
C2 S4 C3 N6 175.7(9) . . . . ?
C2 N4 N5 Ag5 170.3(6) . . . . ?
C2 N4 N5 C3 -0.9(11) . . . . ?
C3 S4 C2 N4 1.6(8) . . . . ?
C3 S4 C2 C1 -177.8(10) . . . . ?
C3 N6 C4 O2 4.6(16) . . . . ?
C3 N6 C4 C5 -174.2(9) . . . . ?
C4 N6 C3 S4 1.3(13) . . . . ?
C4 N6 C3 N5 178.9(9) . . . . ?
C7 S2 C8 N2 0.5(7) . . . . ?
C7 S2 C8 N3 -178.1(8) . . . . ?
C7 N1 N2 Ag5 178.7(6) . . . . ?
C7 N1 N2 C8 -1.4(11) . . . . ?
C8 S2 C7 N1 -1.3(8) . . . . ?
C8 S2 C7 C6 179.1(9) . . . . ?
C8 N3 C9 O1 -1.3(15) . . . . ?
C8 N3 C9 C10 178.2(9) . . . . ?
C9 N3 C8 S2 -6.8(12) . . . . ?
C9 N3 C8 N2 174.7(9) . . . . ?
C12 N7 C13 S3 -1.1(19) . . . . ?
C12 N7 C13 N8 178.1(13) . . . . ?
C13 S3 C14 N9 -5.1(13) . . . . ?
C13 S3 C14 C22 -179.3(15) . . . . ?
C13 N7 C12 O3 -2(2) . . . . ?
C13 N7 C12 C11 177.7(12) . . . . ?
C13 N8 N9 Ag1 178.4(10) . . . . ?
C13 N8 N9 C14 -1.4(18) . . . . ?
C14 S3 C13 N7 -176.8(14) . . . . ?
C14 S3 C13 N8 4.0(11) . . . . ?
C16 N12 C17 S1 -5.5(15) . . . . ?
C16 N12 C17 N11 175.8(10) . . . . ?
C17 S1 C18 N10 0.7(10) . . . . ?
C17 S1 C18 C19 -176.8(11) . . . . ?
C17 N12 C16 O4 1.7(18) . . . . ?
C17 N12 C16 C15 -179.4(11) . . . . ?
C18 S1 C17 N11 -1.2(9) . . . . ?
C18 S1 C17 N12 -180.0(11) . . . . ?
C18 N10 N11 Ag2 -171.7(8) . . . . ?
C18 N10 N11 C17 -0.8(13) . . . . ?
C20 S5 O7 Ag4 43.7(9) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
-3 1 1 6.082
-4 2 1 9.200
-7 3 1 15.550

_platon_squeeze_details          
;
TITL 2018091229_a.res in C2/c
CELL   24.7087   15.5291   24.6615     90.00    109.60     90.00
SPGR C2/c
# Solvent Accessible Volume =      1261
# Electrons Found in S.A.V. =       348
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 0.476 0.229 0.233 !      18.65 eA-3
Q102 0.678 0.347 0.169 !      15.53 eA-3
Q103 0.591 0.344 0.225 !       9.49 eA-3
Q104 0.573 0.403 0.349 !       9.46 eA-3
Q105 0.295 0.402 0.311 !       8.27 eA-3
Q106 0.896 0.050 0.621 !       7.77 eA-3
Q107 0.373 0.391 0.250 !       7.50 eA-3
Q108 0.370 0.203 0.138 !       6.95 eA-3
C109 0.834 0.344 0.050 !       5.96 eA-3
C110 0.143 0.437 0.425 !       5.32 eA-3
Q111 0.858 0.048 0.319 !       4.20 eA-3
Q112 0.241 0.504 0.142 !       4.00 eA-3
Q113 0.126 0.105 0.176 !       3.83 eA-3
Q114 0.038 0.357 0.589 !       3.67 eA-3
C115 0.544 0.184 0.720 !       3.39 eA-3
Q116 0.845 0.185 0.148 !       3.18 eA-3
Q117 0.954 0.015 0.296 !       2.89 eA-3
Q118 0.021 0.077 0.190 !       2.85 eA-3
Q119 0.462 0.078 0.133 !       2.57 eA-3
Q120 0.226 0.085 0.731 !       2.47 eA-3
Q121 0.373 0.260 0.391 !       2.44 eA-3
C122 1.000 0.328 0.255 !       2.35 eA-3
Q123 0.736 0.201 0.440 !       2.22 eA-3
Q124 0.412 0.144 0.386 !       2.21 eA-3
Q125 0.995 0.435 0.833 !       2.18 eA-3
Q126 0.859 0.311 0.382 !       2.17 eA-3
Q127 0.272 0.364 0.045 !       2.11 eA-3
Q128 0.883 0.138 0.804 !       2.09 eA-3
Q129 0.288 0.379 0.351 !       2.04 eA-3
Q130 0.837 0.313 0.560 !       2.02 eA-3
Q131 0.267 0.293 0.088 !       2.02 eA-3
Q132 0.642 0.207 0.052 !       2.01 eA-3
Q133 0.990 0.047 0.273 !       1.99 eA-3
Q134 0.570 0.436 0.398 !       1.99 eA-3
Q135 0.346 0.435 0.164 !       1.98 eA-3
C136 0.046 0.379 0.320 !       1.94 eA-3
Q137 0.659 0.428 0.280 !       1.94 eA-3
Q138 0.125 0.252 0.337 !       1.90 eA-3
Q139 0.219 0.078 0.449 !       1.89 eA-3
Q140 0.781 0.438 0.865 !       1.87 eA-3
C141 0.515 0.111 0.790 !       1.85 eA-3
Q142 0.847 0.089 0.360 !       1.84 eA-3
Q143 0.681 0.234 0.399 !       1.81 eA-3
Q144 0.608 0.411 0.701 !       1.81 eA-3
Q145 0.317 0.298 0.065 !       1.80 eA-3
Q146 0.740 0.265 0.815 !       1.79 eA-3
C147 0.398 0.092 0.582 !       1.78 eA-3
C148 0.102 0.596 0.926 !       1.78 eA-3
Q149 0.930 0.464 0.767 !       1.76 eA-3
Q150 0.703 0.487 0.377 !       1.71 eA-3
Q151 0.321 0.342 0.282 !       1.68 eA-3
C152 0.456 0.037 0.769 !       1.65 eA-3
Q153 0.512 0.199 0.174 !       1.65 eA-3
Q154 0.476 0.410 0.235 !       1.65 eA-3
Q155 0.955 0.026 0.343 !       1.64 eA-3
Q156 0.648 0.142 0.559 !       1.62 eA-3
Q157 0.101 0.139 0.783 !       1.61 eA-3
Q158 0.639 0.143 0.316 !       1.60 eA-3
Q159 0.938 0.246 0.836 !       1.56 eA-3
Q160 0.571 0.405 0.250 !       1.55 eA-3
Q161 0.178 0.490 0.208 !       1.55 eA-3
Q162 0.055 0.347 0.184 !       1.54 eA-3
Q163 0.454 0.145 0.329 !       1.54 eA-3
Q164 0.359 0.378 0.362 !       1.54 eA-3
Q165 0.656 0.392 0.197 !       1.52 eA-3
C166 0.530 0.117 0.776 !       1.51 eA-3
Q167 0.828 0.467 0.209 !       1.48 eA-3
Q168 0.391 0.060 0.977 !       1.48 eA-3
Q169 0.861 0.186 0.821 !       1.48 eA-3
Q170 0.383 0.410 0.753 !       1.47 eA-3
C171 0.569 0.058 0.271 !       1.47 eA-3
Q172 0.601 0.408 0.321 !       1.46 eA-3
Q173 0.515 0.233 0.212 !       1.45 eA-3
Q174 0.689 0.272 0.051 !       1.44 eA-3
Q175 0.688 0.404 0.140 !       1.44 eA-3
Q176 0.595 0.245 0.319 !       1.43 eA-3
Q177 0.766 0.013 0.194 !       1.43 eA-3
Q178 0.133 0.064 0.219 !       1.42 eA-3
Q179 0.457 0.470 0.167 !       1.42 eA-3
Q180 0.414 0.467 0.178 !       1.39 eA-3
Q181 0.608 0.451 0.630 !       1.39 eA-3
Q182 0.649 0.294 0.196 !       1.39 eA-3
Q183 0.477 0.405 0.732 !       1.38 eA-3
Q184 0.608 0.456 0.330 !       1.37 eA-3
Q185 0.601 0.151 0.395 !       1.35 eA-3
Q186 0.141 0.125 0.286 !       1.34 eA-3
Q187 0.819 0.155 0.111 !       1.34 eA-3
Q188 0.279 0.279 0.133 !       1.32 eA-3
Q189 0.657 0.398 0.718 !       1.32 eA-3
Q190 0.586 0.189 0.654 !       1.31 eA-3
Q191 0.288 0.498 0.563 !       1.30 eA-3
Q192 0.712 0.188 0.254 !       1.30 eA-3
Q193 0.987 0.300 0.194 !       1.29 eA-3
Q194 0.296 0.350 0.235 !       1.28 eA-3
Q195 0.125 0.313 0.473 !       1.28 eA-3
Q196 0.824 0.457 0.023 !       1.26 eA-3
Q197 0.176 0.449 0.476 !       1.26 eA-3
Q198 0.484 0.392 0.663 !       1.26 eA-3
Q199 1.001 0.053 0.147 !       1.25 eA-3
;
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 0.500 -0.071 0.250 317 87 ' '
2 0.500 0.070 0.750 316 87 ' '
3 0.000 0.429 0.250 317 87 ' '
4 0.000 0.570 0.750 316 87 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'

####################################################################### 
# 
# 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 1941073'
loop_
_audit_author_name
_audit_author_address
'Xiao-Yu Li'
;Nankai University
China
;
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2019-10-07 downloaded from the CCDC.
;
_audit_creation_date             2019-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H48 Ag11 Cl N26 O14 S8, 2(C H Cl3)'
_chemical_formula_sum            'C42 H50 Ag11 Cl7 N26 O14 S8'
_chemical_formula_weight         2834.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   24.3355(2)
_cell_length_b                   15.04887(13)
_cell_length_c                   25.0087(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.0034(9)
_cell_angle_gamma                90
_cell_volume                     8710.28(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    30106
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.0660
_cell_measurement_theta_min      3.0120
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.537
_exptl_absorpt_coefficient_mu    23.705
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51250
_exptl_absorpt_correction_type   multi-scan
_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   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.161
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5440
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            51709
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.295
_diffrn_reflns_theta_min         3.048
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  20.00   0.50    0.50    --    0.00  57.00 120.00   94
  2  ω    -31.00  88.00   0.50    0.50    --    0.00  38.00   0.00  238
  3  ω    -10.00  51.00   0.50    0.50    --    0.00  57.00-120.00  122
  4  ω     65.00 155.00   0.50    1.71    --   95.80  61.00  60.00  180
  5  ω     98.00 155.00   0.50    1.71    --   95.80  45.00 150.00  114
  6  ω     12.00 120.00   0.50    1.71    --   95.80 -45.00 -90.00  216
  7  ω     84.00 133.00   0.50    1.71    --   95.80  61.00-150.00   98
  8  ω     10.00 112.00   0.50    1.71    --   95.80 -61.00 -90.00  204
  9  ω     65.00 176.00   0.50    1.71    --   95.80  61.00 120.00  222
 10  ω     77.00 145.00   0.50    1.71    --   95.80  61.00  90.00  136
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0346590000
_diffrn_orient_matrix_UB_12      -0.0742016000
_diffrn_orient_matrix_UB_13      0.0173375000
_diffrn_orient_matrix_UB_21      0.0102843000
_diffrn_orient_matrix_UB_22      0.0450135000
_diffrn_orient_matrix_UB_23      0.0576198000
_diffrn_orient_matrix_UB_31      -0.0558554000
_diffrn_orient_matrix_UB_32      0.0543468000
_diffrn_orient_matrix_UB_33      -0.0240163000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16008
_reflns_number_total             17314
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         1.598
_refine_diff_density_min         -2.228
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     988
_refine_ls_number_reflns         17314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0477
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0488P)²+92.6758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1218
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C41(H41), C42(H42)
2.b Me refined with riding coordinates:
 C36(H36A,H36B,H36C)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C), C35(H35A,H35B,H35C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.31788(2) 0.34125(4) 0.32629(2) 0.02631(11) Uani 1 1 d . . . . .
Ag2 Ag 0.40425(2) 0.34694(4) 0.27248(2) 0.03011(12) Uani 1 1 d . . . . .
Ag3 Ag 0.42281(2) 0.39286(4) 0.14791(2) 0.03473(13) Uani 1 1 d . . . . .
Ag4 Ag 0.47108(2) 0.53881(3) 0.30953(2) 0.01961(10) Uani 1 1 d . . . . .
Ag5 Ag 0.36406(2) 0.56864(3) 0.33075(2) 0.02271(10) Uani 1 1 d . . . . .
Ag6 Ag 0.53160(2) 0.54125(3) 0.19437(2) 0.01900(10) Uani 1 1 d . . . . .
Ag7 Ag 0.63375(2) 0.59498(3) 0.17043(2) 0.02338(11) Uani 1 1 d . . . . .
Ag8 Ag 0.70083(2) 0.39318(3) 0.18418(2) 0.02194(10) Uani 1 1 d . . . . .
Ag9 Ag 0.61948(2) 0.37618(3) 0.24342(2) 0.02608(11) Uani 1 1 d . . . . .
Ag10 Ag 0.52295(2) 0.21906(4) 0.26465(2) 0.03405(13) Uani 1 1 d . . . . .
Ag11 Ag 0.59755(2) 0.43165(4) 0.36773(2) 0.02810(11) Uani 1 1 d . . . . .
Cl1 Cl 0.50835(5) 0.40114(9) 0.25565(5) 0.0146(2) Uani 1 1 d . . . . .
S1 S 0.24244(7) 0.49681(13) 0.15410(7) 0.0315(4) Uani 1 1 d . . . . .
S2 S 0.34884(7) 0.70145(12) 0.15567(6) 0.0258(3) Uani 1 1 d . . . . .
S3 S 0.53598(6) 0.39743(10) 0.02635(6) 0.0199(3) Uani 1 1 d . . . . .
S4 S 0.57299(8) 0.15620(12) 0.10230(8) 0.0299(4) Uani 1 1 d . . . . .
S5 S 0.46735(8) 0.14153(14) 0.42107(8) 0.0360(4) Uani 1 1 d . . . . .
S6 S 0.47526(7) 0.38848(11) 0.47825(6) 0.0227(3) Uani 1 1 d . . . . .
S7 S 0.76874(7) 0.56022(12) 0.35317(7) 0.0276(3) Uani 1 1 d . . . . .
S8 S 0.63635(7) 0.73719(11) 0.33961(6) 0.0228(3) Uani 1 1 d . . . . .
O1 O 0.6409(2) 0.2065(4) 0.0491(2) 0.0348(12) Uani 1 1 d . . . . .
O2 O 0.6176(2) 0.4875(4) 0.0090(2) 0.0320(11) Uani 1 1 d . . . . .
O3 O 0.8339(2) 0.5541(5) 0.2921(3) 0.0478(16) Uani 1 1 d . . . . .
O4 O 0.7130(2) 0.7858(3) 0.2961(2) 0.0265(10) Uani 1 1 d . . . . .
O5 O 0.3811(2) 0.4476(4) 0.4888(2) 0.0342(12) Uani 1 1 d . . . . .
O6 O 0.3895(3) 0.1695(4) 0.4667(2) 0.0434(14) Uani 1 1 d . . . . .
O7 O 0.1787(2) 0.4910(4) 0.2169(2) 0.0370(12) Uani 1 1 d . . . . .
O8 O 0.2664(2) 0.7314(4) 0.1962(2) 0.0307(11) Uani 1 1 d . . . . .
O9 O 0.4025(3) 0.2038(5) 0.2099(3) 0.0541(17) Uani 1 1 d . . . . .
O10 O 0.3436(3) 0.1274(5) 0.1449(3) 0.065(2) Uani 1 1 d . . . . .
O11 O 0.3863(4) 0.2390(5) 0.1227(3) 0.078(3) Uani 1 1 d . . . . .
O12 O 0.6271(3) 0.2802(4) 0.3361(3) 0.0494(15) Uani 1 1 d . . . . .
O13 O 0.6873(3) 0.3120(5) 0.4178(3) 0.0617(18) Uani 1 1 d . . . . .
O14 O 0.6943(3) 0.1857(4) 0.3798(3) 0.0535(16) Uani 1 1 d . . . . .
N1 N 0.5942(2) 0.2652(4) 0.1847(2) 0.0228(11) Uani 1 1 d . . . . .
N2 N 0.5538(3) 0.2052(4) 0.1918(3) 0.0295(13) Uani 1 1 d . . . . .
N3 N 0.6502(2) 0.2955(4) 0.1259(2) 0.0239(11) Uani 1 1 d . . . . .
N4 N 0.4913(2) 0.2063(4) 0.3371(3) 0.0296(13) Uani 1 1 d . . . . .
N5 N 0.4410(2) 0.2498(4) 0.3381(2) 0.0259(12) Uani 1 1 d . . . . .
N6 N 0.3739(2) 0.2552(4) 0.3880(2) 0.0262(12) Uani 1 1 d . . . . .
N7 N 0.2665(2) 0.4275(4) 0.2620(2) 0.0253(12) Uani 1 1 d . . . . .
N8 N 0.3342(2) 0.4192(4) 0.2130(2) 0.0254(12) Uani 1 1 d . . . . .
N9 N 0.3428(2) 0.4396(4) 0.1620(3) 0.0291(13) Uani 1 1 d . . . . .
N10 N 0.3353(2) 0.6450(4) 0.2563(2) 0.0213(11) Uani 1 1 d . . . . .
N11 N 0.4164(2) 0.6040(4) 0.2313(2) 0.0192(10) Uani 1 1 d . . . . .
N12 N 0.4417(2) 0.6111(4) 0.1886(2) 0.0206(11) Uani 1 1 d . . . . .
N13 N 0.5537(2) 0.6250(4) 0.3119(2) 0.0200(11) Uani 1 1 d . . . . .
N14 N 0.5791(2) 0.6222(3) 0.2692(2) 0.0175(10) Uani 1 1 d . . . . .
N15 N 0.6563(2) 0.6782(4) 0.2426(2) 0.0208(11) Uani 1 1 d . . . . .
N16 N 0.6718(2) 0.4906(4) 0.3483(2) 0.0241(11) Uani 1 1 d . . . . .
N17 N 0.6818(2) 0.4676(4) 0.2980(2) 0.0200(11) Uani 1 1 d . . . . .
N18 N 0.7484(2) 0.4850(4) 0.2482(2) 0.0242(11) Uani 1 1 d . . . . .
N19 N 0.5314(2) 0.4189(4) 0.4096(2) 0.0197(11) Uani 1 1 d . . . . .
N20 N 0.4804(2) 0.4673(4) 0.3892(2) 0.0189(10) Uani 1 1 d . . . . .
N21 N 0.3942(2) 0.4994(4) 0.4079(2) 0.0208(11) Uani 1 1 d . . . . .
N22 N 0.4842(2) 0.4032(4) 0.1000(2) 0.0177(10) Uani 1 1 d . . . . .
N23 N 0.5286(2) 0.4653(3) 0.1177(2) 0.0160(10) Uani 1 1 d . . . . .
N24 N 0.6063(2) 0.5245(4) 0.0939(2) 0.0188(10) Uani 1 1 d . . . . .
N25 N 0.6686(3) 0.2577(5) 0.3767(3) 0.0384(16) Uani 1 1 d . . . . .
N26 N 0.3767(3) 0.1904(5) 0.1585(3) 0.0373(15) Uani 1 1 d . . . . .
C1 C 0.7146(3) 0.5677(6) 0.4378(3) 0.0368(18) Uani 1 1 d . . . . .
H1A H 0.7431 0.5340 0.4656 0.055 Uiso 1 1 calc GR . . . .
H1B H 0.6774 0.5589 0.4426 0.055 Uiso 1 1 calc GR . . . .
H1C H 0.7245 0.6297 0.4421 0.055 Uiso 1 1 calc GR . . . .
C2 C 0.7131(3) 0.5377(5) 0.3806(3) 0.0255(14) Uani 1 1 d . . . . .
C3 C 0.7305(3) 0.4985(4) 0.2937(3) 0.0219(13) Uani 1 1 d . . . . .
C4 C 0.8025(3) 0.5149(5) 0.2515(3) 0.0326(16) Uani 1 1 d . . . . .
C5 C 0.8220(4) 0.4977(6) 0.2007(3) 0.0391(18) Uani 1 1 d . . . . .
H5A H 0.8186 0.5514 0.1792 0.059 Uiso 1 1 calc GR . . . .
H5B H 0.7983 0.4523 0.1780 0.059 Uiso 1 1 calc GR . . . .
H5C H 0.8616 0.4786 0.2128 0.059 Uiso 1 1 calc GR . . . .
C6 C 0.4963(4) 0.0735(6) 0.1516(5) 0.055(3) Uani 1 1 d . . . . .
H6A H 0.4622 0.0817 0.1201 0.082 Uiso 1 1 calc GR . . . .
H6B H 0.4862 0.0752 0.1858 0.082 Uiso 1 1 calc GR . . . .
H6C H 0.5134 0.0171 0.1485 0.082 Uiso 1 1 calc GR . . . .
C7 C 0.5383(3) 0.1455(5) 0.1524(3) 0.0321(16) Uani 1 1 d . . . . .
C8 C 0.6097(3) 0.2473(5) 0.1399(3) 0.0236(13) Uani 1 1 d . . . . .
C9 C 0.6646(3) 0.2698(5) 0.0795(3) 0.0273(14) Uani 1 1 d . . . . .
C10 C 0.7116(3) 0.3209(5) 0.0671(3) 0.0304(15) Uani 1 1 d . . . . .
H10A H 0.7198 0.2952 0.0353 0.046 Uiso 1 1 calc GR . . . .
H10B H 0.7457 0.3191 0.0992 0.046 Uiso 1 1 calc GR . . . .
H10C H 0.6996 0.3815 0.0589 0.046 Uiso 1 1 calc GR . . . .
C11 C 0.4392(3) 0.2947(5) 0.0260(3) 0.0308(15) Uani 1 1 d . . . . .
H11A H 0.4278 0.3029 -0.0140 0.046 Uiso 1 1 calc GR . . . .
H11B H 0.4060 0.3005 0.0388 0.046 Uiso 1 1 calc GR . . . .
H11C H 0.4556 0.2365 0.0352 0.046 Uiso 1 1 calc GR . . . .
C12 C 0.4828(3) 0.3629(4) 0.0539(2) 0.0197(12) Uani 1 1 d . . . . .
C13 C 0.5597(3) 0.4698(4) 0.0837(2) 0.0166(11) Uani 1 1 d . . . . .
C14 C 0.6339(3) 0.5302(5) 0.0534(3) 0.0231(13) Uani 1 1 d . . . . .
C15 C 0.6863(3) 0.5887(6) 0.0683(3) 0.0343(17) Uani 1 1 d . . . . .
H15A H 0.7146 0.5659 0.1013 0.052 Uiso 1 1 calc GR . . . .
H15B H 0.6757 0.6479 0.0756 0.052 Uiso 1 1 calc GR . . . .
H15C H 0.7021 0.5899 0.0376 0.052 Uiso 1 1 calc GR . . . .
C16 C 0.7406(3) 0.7312(5) 0.2183(3) 0.0319(16) Uani 1 1 d . . . . .
H16A H 0.7396 0.7878 0.2002 0.048 Uiso 1 1 calc GR . . . .
H16B H 0.7270 0.6859 0.1903 0.048 Uiso 1 1 calc GR . . . .
H16C H 0.7795 0.7180 0.2406 0.048 Uiso 1 1 calc GR . . . .
C17 C 0.7027(3) 0.7342(5) 0.2555(3) 0.0240(13) Uani 1 1 d . . . . .
C18 C 0.6240(3) 0.6752(4) 0.2782(2) 0.0172(12) Uani 1 1 d . . . . .
C19 C 0.5790(3) 0.6812(5) 0.3514(3) 0.0230(13) Uani 1 1 d . . . . .
C20 C 0.5604(3) 0.6944(5) 0.4022(3) 0.0300(15) Uani 1 1 d . . . . .
H20A H 0.5896 0.6717 0.4346 0.045 Uiso 1 1 calc GR . . . .
H20B H 0.5248 0.6633 0.3975 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.5549 0.7566 0.4072 0.045 Uiso 1 1 calc GR . . . .
C21 C 0.4293(4) 0.6741(6) 0.0955(3) 0.0401(19) Uani 1 1 d . . . . .
H21A H 0.4054 0.6389 0.0651 0.060 Uiso 1 1 calc GR . . . .
H21B H 0.4690 0.6570 0.1029 0.060 Uiso 1 1 calc GR . . . .
H21C H 0.4249 0.7358 0.0854 0.060 Uiso 1 1 calc GR . . . .
C22 C 0.4117(3) 0.6592(5) 0.1469(3) 0.0249(14) Uani 1 1 d . . . . .
C23 C 0.3667(3) 0.6461(4) 0.2199(2) 0.0186(12) Uani 1 1 d . . . . .
C24 C 0.2836(3) 0.6897(5) 0.2412(3) 0.0241(13) Uani 1 1 d . . . . .
C25 C 0.2490(3) 0.6877(5) 0.2811(3) 0.0307(15) Uani 1 1 d . . . . .
H25A H 0.2615 0.7347 0.3081 0.046 Uiso 1 1 calc GR . . . .
H25B H 0.2544 0.6316 0.3003 0.046 Uiso 1 1 calc GR . . . .
H25C H 0.2088 0.6955 0.2607 0.046 Uiso 1 1 calc GR . . . .
C26 C 0.2977(4) 0.5070(7) 0.0696(3) 0.0408(19) Uani 1 1 d . . . . .
H26A H 0.2679 0.4745 0.0425 0.061 Uiso 1 1 calc GR . . . .
H26B H 0.3344 0.4942 0.0644 0.061 Uiso 1 1 calc GR . . . .
H26C H 0.2900 0.5695 0.0647 0.061 Uiso 1 1 calc GR . . . .
C27 C 0.2991(3) 0.4802(5) 0.1274(3) 0.0314(16) Uani 1 1 d . . . . .
C28 C 0.2834(3) 0.4438(5) 0.2154(3) 0.0261(14) Uani 1 1 d . . . . .
C29 C 0.2115(3) 0.4526(5) 0.2585(3) 0.0306(15) Uani 1 1 d . . . . .
C30 C 0.1920(3) 0.4325(6) 0.3085(3) 0.0347(17) Uani 1 1 d . . . . .
H30A H 0.1813 0.4868 0.3228 0.052 Uiso 1 1 calc GR . . . .
H30B H 0.2229 0.4046 0.3371 0.052 Uiso 1 1 calc GR . . . .
H30C H 0.1593 0.3933 0.2975 0.052 Uiso 1 1 calc GR . . . .
C31 C 0.3058(3) 0.5361(6) 0.4296(3) 0.0389(19) Uani 1 1 d . . . . .
H31A H 0.2764 0.4975 0.4069 0.058 Uiso 1 1 calc GR . . . .
H31B H 0.3073 0.5894 0.4090 0.058 Uiso 1 1 calc GR . . . .
H31C H 0.2968 0.5511 0.4633 0.058 Uiso 1 1 calc GR . . . .
C32 C 0.3633(3) 0.4898(5) 0.4448(3) 0.0257(14) Uani 1 1 d . . . . .
C33 C 0.4465(3) 0.4581(4) 0.4207(2) 0.0201(12) Uani 1 1 d . . . . .
C34 C 0.5345(3) 0.3745(5) 0.4550(3) 0.0229(13) Uani 1 1 d . . . . .
C35 C 0.5839(3) 0.3164(5) 0.4852(3) 0.0317(16) Uani 1 1 d . . . . .
H35A H 0.5949 0.3285 0.5248 0.048 Uiso 1 1 calc GR . . . .
H35B H 0.6161 0.3279 0.4716 0.048 Uiso 1 1 calc GR . . . .
H35C H 0.5727 0.2552 0.4785 0.048 Uiso 1 1 calc GR . . . .
C36 C 0.3053(3) 0.2592(6) 0.4410(3) 0.0375(18) Uani 1 1 d . . . . .
H36A H 0.2874 0.3004 0.4114 0.056 Uiso 1 1 calc R . . . .
H36B H 0.2792 0.2110 0.4401 0.056 Uiso 1 1 calc R . . . .
H36C H 0.3142 0.2890 0.4766 0.056 Uiso 1 1 calc R . . . .
C37 C 0.3597(3) 0.2239(6) 0.4329(3) 0.0332(16) Uani 1 1 d . . . . .
C38 C 0.4228(3) 0.2220(5) 0.3799(3) 0.0278(14) Uani 1 1 d . . . . .
C39 C 0.5096(3) 0.1491(5) 0.3770(3) 0.0335(16) Uani 1 1 d . . . . .
C40 C 0.5625(4) 0.0934(6) 0.3844(4) 0.045(2) Uani 1 1 d . . . . .
H40A H 0.5875 0.0985 0.4224 0.068 Uiso 1 1 calc GR . . . .
H40B H 0.5825 0.1137 0.3591 0.068 Uiso 1 1 calc GR . . . .
H40C H 0.5514 0.0324 0.3763 0.068 Uiso 1 1 calc GR . . . .
Cl5 Cl 0.5958(3) 0.8245(5) 0.1368(3) 0.173(3) Uani 1 1 d . . . . .
Cl6 Cl 0.5484(3) 0.9286(4) 0.0401(2) 0.179(3) Uani 1 1 d . . . . .
Cl7 Cl 0.6689(3) 0.8607(4) 0.0699(3) 0.160(2) Uani 1 1 d . . . . .
C41 C 0.6111(7) 0.9067(11) 0.1008(9) 0.133(8) Uani 1 1 d . . . . .
H41 H 0.6243 0.9598 0.1239 0.159 Uiso 1 1 calc R . . . .
Cl2 Cl 0.51338(12) 0.09902(19) 0.57699(14) 0.0719(8) Uani 1 1 d . . . . .
Cl3 Cl 0.60944(17) 0.1988(2) 0.64541(18) 0.1051(14) Uani 1 1 d . . . . .
Cl4 Cl 0.61990(16) 0.0952(3) 0.55161(15) 0.1017(14) Uani 1 1 d . . . . .
C42 C 0.5888(5) 0.1004(7) 0.6050(4) 0.059(3) Uani 1 1 d . . . . .
H42 H 0.6013 0.0487 0.6296 0.071 Uiso 1 1 calc R . . . .


_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 Ag2 2.8258(7) . ?
Ag1 O8 2.557(5) 2_545 ?
Ag1 N6 2.149(6) . ?
Ag1 N7 2.142(6) . ?
Ag2 Ag3 3.3549(7) . ?
Ag2 Ag4 3.3029(7) . ?
Ag2 Cl1 2.8141(13) . ?
Ag2 O9 2.655(6) . ?
Ag2 N5 2.174(6) . ?
Ag2 N8 2.176(6) . ?
Ag3 Cl1 2.8534(14) . ?
Ag3 O11 2.490(7) . ?
Ag3 N9 2.199(6) . ?
Ag3 N22 2.190(5) . ?
Ag4 Ag5 2.8496(6) . ?
Ag4 Ag11 3.3796(6) . ?
Ag4 Cl1 2.7722(14) . ?
Ag4 N11 2.225(5) . ?
Ag4 N13 2.377(5) . ?
Ag4 N20 2.213(5) . ?
Ag5 N10 2.115(5) . ?
Ag5 N21 2.114(5) . ?
Ag6 Ag7 2.8480(6) . ?
Ag6 Ag9 3.2600(7) . ?
Ag6 Cl1 2.7660(14) . ?
Ag6 N12 2.390(5) . ?
Ag6 N14 2.233(5) . ?
Ag6 N23 2.215(5) . ?
Ag7 N15 2.125(5) . ?
Ag7 N24 2.108(5) . ?
Ag8 Ag9 2.8271(7) . ?
Ag8 O4 2.571(4) 2_645 ?
Ag8 N3 2.166(6) . ?
Ag8 N18 2.160(6) . ?
Ag9 Cl1 2.8389(13) . ?
Ag9 O12 2.688(6) . ?
Ag9 N1 2.183(5) . ?
Ag9 N17 2.185(5) . ?
Ag10 Cl1 2.7633(14) . ?
Ag10 N2 2.184(6) . ?
Ag10 N4 2.186(6) . ?
Ag11 O12 2.587(7) . ?
Ag11 N16 2.198(6) . ?
Ag11 N19 2.184(5) . ?
S1 C27 1.727(7) . ?
S1 C28 1.743(7) . ?
S2 C22 1.732(6) . ?
S2 C23 1.741(6) . ?
S3 C12 1.723(6) . ?
S3 C13 1.750(6) . ?
S4 C7 1.722(8) . ?
S4 C8 1.744(7) . ?
S5 C38 1.735(8) . ?
S5 C39 1.727(8) . ?
S6 C33 1.742(6) . ?
S6 C34 1.726(7) . ?
S7 C2 1.730(7) . ?
S7 C3 1.757(7) . ?
S8 C18 1.742(6) . ?
S8 C19 1.733(7) . ?
O1 C9 1.245(9) . ?
O2 C14 1.238(8) . ?
O3 C4 1.217(9) . ?
O4 Ag8 2.571(4) 2_655 ?
O4 C17 1.241(8) . ?
O5 C32 1.228(8) . ?
O6 C37 1.238(10) . ?
O7 C29 1.240(9) . ?
O8 Ag1 2.557(5) 2 ?
O8 C24 1.242(8) . ?
O9 N26 1.261(9) . ?
O10 N26 1.223(9) . ?
O11 N26 1.233(9) . ?
O12 N25 1.239(9) . ?
O13 N25 1.281(10) . ?
O14 N25 1.241(9) . ?
N1 N2 1.386(8) . ?
N1 C8 1.316(9) . ?
N2 C7 1.301(10) . ?
N3 C8 1.354(9) . ?
N3 C9 1.368(9) . ?
N4 N5 1.394(8) . ?
N4 C39 1.289(10) . ?
N5 C38 1.324(9) . ?
N6 C37 1.356(9) . ?
N6 C38 1.362(9) . ?
N7 C28 1.372(8) . ?
N7 C29 1.367(9) . ?
N8 N9 1.389(8) . ?
N8 C28 1.311(9) . ?
N9 C27 1.297(10) . ?
N10 C23 1.358(8) . ?
N10 C24 1.374(8) . ?
N11 N12 1.393(7) . ?
N11 C23 1.314(8) . ?
N12 C22 1.295(8) . ?
N13 N14 1.391(7) . ?
N13 C19 1.301(8) . ?
N14 C18 1.315(8) . ?
N15 C17 1.365(8) . ?
N15 C18 1.358(8) . ?
N16 N17 1.397(7) . ?
N16 C2 1.290(9) . ?
N17 C3 1.309(8) . ?
N18 C3 1.353(8) . ?
N18 C4 1.371(9) . ?
N19 N20 1.392(7) . ?
N19 C34 1.299(8) . ?
N20 C33 1.313(8) . ?
N21 C32 1.368(8) . ?
N21 C33 1.362(8) . ?
N22 N23 1.393(7) . ?
N22 C12 1.295(8) . ?
N23 C13 1.304(8) . ?
N24 C13 1.360(8) . ?
N24 C14 1.379(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.491(9) . ?
C4 C5 1.508(10) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 C7 1.484(11) . ?
C9 C10 1.489(10) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 C12 1.486(9) . ?
C14 C15 1.499(9) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C17 1.499(9) . ?
C19 C20 1.485(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 C22 1.491(9) . ?
C24 C25 1.493(9) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 C27 1.490(10) . ?
C29 C30 1.499(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 C32 1.504(10) . ?
C34 C35 1.490(9) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C37 1.499(11) . ?
C39 C40 1.499(11) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
Cl5 C41 1.64(2) . ?
Cl6 C41 1.819(17) . ?
Cl7 C41 1.93(2) . ?
C41 H41 0.9800 . ?
Cl2 C42 1.752(11) . ?
Cl3 C42 1.775(11) . ?
Cl4 C42 1.727(12) . ?
C42 H42 0.9800 . ?

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
O8 Ag1 Ag2 125.35(11) 2_545 . ?
N6 Ag1 Ag2 87.74(14) . . ?
N6 Ag1 O8 93.2(2) . 2_545 ?
N7 Ag1 Ag2 88.39(14) . . ?
N7 Ag1 O8 89.08(19) . 2_545 ?
N7 Ag1 N6 176.1(2) . . ?
Ag1 Ag2 Ag3 141.43(2) . . ?
Ag1 Ag2 Ag4 105.49(2) . . ?
Ag4 Ag2 Ag3 83.367(17) . . ?
Cl1 Ag2 Ag1 156.42(4) . . ?
Cl1 Ag2 Ag3 54.25(3) . . ?
Cl1 Ag2 Ag4 53.17(3) . . ?
O9 Ag2 Ag1 112.16(15) . . ?
O9 Ag2 Ag3 66.57(16) . . ?
O9 Ag2 Ag4 142.33(16) . . ?
O9 Ag2 Cl1 89.91(15) . . ?
N5 Ag2 Ag1 79.24(14) . . ?
N5 Ag2 Ag3 134.23(15) . . ?
N5 Ag2 Ag4 108.90(15) . . ?
N5 Ag2 Cl1 97.36(14) . . ?
N5 Ag2 O9 80.0(2) . . ?
N5 Ag2 N8 154.9(2) . . ?
N8 Ag2 Ag1 78.48(14) . . ?
N8 Ag2 Ag3 64.13(14) . . ?
N8 Ag2 Ag4 88.20(15) . . ?
N8 Ag2 Cl1 107.69(14) . . ?
N8 Ag2 O9 97.8(2) . . ?
Cl1 Ag3 Ag2 53.16(3) . . ?
O11 Ag3 Ag2 84.47(17) . . ?
O11 Ag3 Cl1 112.3(2) . . ?
N9 Ag3 Ag2 62.44(16) . . ?
N9 Ag3 Cl1 105.00(16) . . ?
N9 Ag3 O11 94.2(3) . . ?
N22 Ag3 Ag2 146.37(13) . . ?
N22 Ag3 Cl1 95.23(13) . . ?
N22 Ag3 O11 100.3(2) . . ?
N22 Ag3 N9 148.5(2) . . ?
Ag2 Ag4 Ag11 90.435(17) . . ?
Ag5 Ag4 Ag2 77.928(17) . . ?
Ag5 Ag4 Ag11 139.286(19) . . ?
Cl1 Ag4 Ag2 54.34(3) . . ?
Cl1 Ag4 Ag5 131.56(3) . . ?
Cl1 Ag4 Ag11 57.42(3) . . ?
N11 Ag4 Ag2 91.73(14) . . ?
N11 Ag4 Ag5 76.18(13) . . ?
N11 Ag4 Ag11 143.80(13) . . ?
N11 Ag4 Cl1 95.70(14) . . ?
N11 Ag4 N13 93.05(19) . . ?
N13 Ag4 Ag2 145.41(13) . . ?
N13 Ag4 Ag5 136.35(13) . . ?
N13 Ag4 Ag11 66.37(13) . . ?
N13 Ag4 Cl1 91.09(13) . . ?
N20 Ag4 Ag2 74.48(14) . . ?
N20 Ag4 Ag5 75.78(13) . . ?
N20 Ag4 Ag11 63.51(13) . . ?
N20 Ag4 Cl1 96.68(14) . . ?
N20 Ag4 N11 150.77(19) . . ?
N20 Ag4 N13 113.05(18) . . ?
N10 Ag5 Ag4 89.67(14) . . ?
N21 Ag5 Ag4 90.71(14) . . ?
N21 Ag5 N10 176.6(2) . . ?
Ag7 Ag6 Ag9 77.393(17) . . ?
Cl1 Ag6 Ag7 132.39(3) . . ?
Cl1 Ag6 Ag9 55.48(3) . . ?
N12 Ag6 Ag7 134.78(13) . . ?
N12 Ag6 Ag9 147.05(13) . . ?
N12 Ag6 Cl1 91.62(13) . . ?
N14 Ag6 Ag7 76.22(13) . . ?
N14 Ag6 Ag9 89.45(13) . . ?
N14 Ag6 Cl1 95.32(13) . . ?
N14 Ag6 N12 92.17(18) . . ?
N23 Ag6 Ag7 76.19(12) . . ?
N23 Ag6 Ag9 76.96(13) . . ?
N23 Ag6 Cl1 97.40(13) . . ?
N23 Ag6 N12 113.00(18) . . ?
N23 Ag6 N14 151.30(18) . . ?
N15 Ag7 Ag6 90.10(14) . . ?
N24 Ag7 Ag6 89.77(14) . . ?
N24 Ag7 N15 173.7(2) . . ?
O4 Ag8 Ag9 120.28(11) 2_645 . ?
N3 Ag8 Ag9 86.93(15) . . ?
N3 Ag8 O4 87.90(18) . 2_645 ?
N18 Ag8 Ag9 88.34(15) . . ?
N18 Ag8 O4 92.36(19) . 2_645 ?
N18 Ag8 N3 174.7(2) . . ?
Ag8 Ag9 Ag6 102.594(19) . . ?
Ag8 Ag9 Cl1 152.77(3) . . ?
Cl1 Ag9 Ag6 53.40(3) . . ?
O12 Ag9 Ag6 126.60(14) . . ?
O12 Ag9 Ag8 128.88(13) . . ?
O12 Ag9 Cl1 78.00(13) . . ?
N1 Ag9 Ag6 108.34(14) . . ?
N1 Ag9 Ag8 79.29(15) . . ?
N1 Ag9 Cl1 95.39(14) . . ?
N1 Ag9 O12 95.6(2) . . ?
N1 Ag9 N17 153.97(19) . . ?
N17 Ag9 Ag6 90.18(14) . . ?
N17 Ag9 Ag8 78.88(13) . . ?
N17 Ag9 Cl1 110.46(14) . . ?
N17 Ag9 O12 87.2(2) . . ?
N2 Ag10 Cl1 95.46(16) . . ?
N2 Ag10 N4 169.5(2) . . ?
N4 Ag10 Cl1 94.89(17) . . ?
O12 Ag11 Ag4 126.20(14) . . ?
N16 Ag11 Ag4 114.41(15) . . ?
N16 Ag11 O12 87.9(2) . . ?
N19 Ag11 Ag4 62.60(13) . . ?
N19 Ag11 O12 112.6(2) . . ?
N19 Ag11 N16 156.9(2) . . ?
Ag2 Cl1 Ag3 72.59(3) . . ?
Ag2 Cl1 Ag9 155.41(5) . . ?
Ag4 Cl1 Ag2 72.49(3) . . ?
Ag4 Cl1 Ag3 103.81(4) . . ?
Ag4 Cl1 Ag9 128.09(5) . . ?
Ag6 Cl1 Ag2 130.66(5) . . ?
Ag6 Cl1 Ag3 74.01(4) . . ?
Ag6 Cl1 Ag4 81.57(4) . . ?
Ag6 Cl1 Ag9 71.12(3) . . ?
Ag9 Cl1 Ag3 109.50(4) . . ?
Ag10 Cl1 Ag2 78.43(4) . . ?
Ag10 Cl1 Ag3 94.10(4) . . ?
Ag10 Cl1 Ag4 138.99(5) . . ?
Ag10 Cl1 Ag6 139.28(5) . . ?
Ag10 Cl1 Ag9 76.99(4) . . ?
C27 S1 C28 88.1(4) . . ?
C22 S2 C23 87.8(3) . . ?
C12 S3 C13 87.7(3) . . ?
C7 S4 C8 88.1(3) . . ?
C39 S5 C38 87.8(4) . . ?
C34 S6 C33 87.6(3) . . ?
C2 S7 C3 87.6(3) . . ?
C19 S8 C18 87.8(3) . . ?
C17 O4 Ag8 119.8(4) . 2_655 ?
C24 O8 Ag1 123.3(4) . 2 ?
N26 O9 Ag2 130.0(5) . . ?
N26 O11 Ag3 120.0(6) . . ?
Ag11 O12 Ag9 80.71(18) . . ?
N25 O12 Ag9 132.5(5) . . ?
N25 O12 Ag11 102.9(5) . . ?
N2 N1 Ag9 118.4(4) . . ?
C8 N1 Ag9 129.3(5) . . ?
C8 N1 N2 112.2(5) . . ?
N1 N2 Ag10 119.0(4) . . ?
C7 N2 Ag10 127.1(5) . . ?
C7 N2 N1 113.9(6) . . ?
C8 N3 Ag8 119.9(4) . . ?
C8 N3 C9 117.7(6) . . ?
C9 N3 Ag8 121.4(5) . . ?
N5 N4 Ag10 120.6(4) . . ?
C39 N4 Ag10 125.1(5) . . ?
C39 N4 N5 113.3(6) . . ?
N4 N5 Ag2 117.5(4) . . ?
C38 N5 Ag2 130.4(5) . . ?
C38 N5 N4 112.1(6) . . ?
C37 N6 Ag1 122.5(5) . . ?
C37 N6 C38 116.9(6) . . ?
C38 N6 Ag1 120.2(5) . . ?
C28 N7 Ag1 119.2(5) . . ?
C29 N7 Ag1 123.3(5) . . ?
C29 N7 C28 116.0(6) . . ?
N9 N8 Ag2 115.5(4) . . ?
C28 N8 Ag2 131.3(5) . . ?
C28 N8 N9 113.1(6) . . ?
N8 N9 Ag3 117.9(4) . . ?
C27 N9 Ag3 128.8(5) . . ?
C27 N9 N8 113.2(6) . . ?
C23 N10 Ag5 119.7(4) . . ?
C23 N10 C24 117.9(5) . . ?
C24 N10 Ag5 122.3(4) . . ?
N12 N11 Ag4 114.9(4) . . ?
C23 N11 Ag4 131.6(4) . . ?
C23 N11 N12 113.0(5) . . ?
N11 N12 Ag6 122.3(4) . . ?
C22 N12 Ag6 124.9(4) . . ?
C22 N12 N11 112.8(5) . . ?
N14 N13 Ag4 122.5(4) . . ?
C19 N13 Ag4 124.8(4) . . ?
C19 N13 N14 112.6(5) . . ?
N13 N14 Ag6 115.0(4) . . ?
C18 N14 Ag6 131.5(4) . . ?
C18 N14 N13 113.1(5) . . ?
C17 N15 Ag7 122.8(4) . . ?
C18 N15 Ag7 119.2(4) . . ?
C18 N15 C17 118.0(5) . . ?
N17 N16 Ag11 118.9(4) . . ?
C2 N16 Ag11 128.2(5) . . ?
C2 N16 N17 112.4(5) . . ?
N16 N17 Ag9 116.0(4) . . ?
C3 N17 Ag9 130.1(4) . . ?
C3 N17 N16 113.6(5) . . ?
C3 N18 Ag8 118.8(4) . . ?
C3 N18 C4 116.9(6) . . ?
C4 N18 Ag8 122.7(5) . . ?
N20 N19 Ag11 118.9(4) . . ?
C34 N19 Ag11 127.7(4) . . ?
C34 N19 N20 113.2(5) . . ?
N19 N20 Ag4 114.6(4) . . ?
C33 N20 Ag4 133.1(4) . . ?
C33 N20 N19 112.2(5) . . ?
C32 N21 Ag5 124.0(4) . . ?
C33 N21 Ag5 118.4(4) . . ?
C33 N21 C32 117.5(5) . . ?
N23 N22 Ag3 117.9(3) . . ?
C12 N22 Ag3 128.3(4) . . ?
C12 N22 N23 113.6(5) . . ?
N22 N23 Ag6 115.8(3) . . ?
C13 N23 Ag6 132.0(4) . . ?
C13 N23 N22 112.2(5) . . ?
C13 N24 Ag7 119.2(4) . . ?
C13 N24 C14 117.8(5) . . ?
C14 N24 Ag7 123.1(4) . . ?
O12 N25 O13 118.8(7) . . ?
O12 N25 O14 123.9(8) . . ?
O14 N25 O13 117.3(7) . . ?
O10 N26 O9 119.0(8) . . ?
O10 N26 O11 121.0(8) . . ?
O11 N26 O9 120.0(7) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
N16 C2 S7 114.5(5) . . ?
N16 C2 C1 123.5(6) . . ?
C1 C2 S7 122.0(5) . . ?
N17 C3 S7 112.0(5) . . ?
N17 C3 N18 123.4(6) . . ?
N18 C3 S7 124.7(5) . . ?
O3 C4 N18 123.5(7) . . ?
O3 C4 C5 120.4(7) . . ?
N18 C4 C5 116.1(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
N2 C7 S4 113.2(6) . . ?
N2 C7 C6 123.5(7) . . ?
C6 C7 S4 123.3(6) . . ?
N1 C8 S4 112.7(5) . . ?
N1 C8 N3 122.2(6) . . ?
N3 C8 S4 125.0(5) . . ?
O1 C9 N3 123.0(7) . . ?
O1 C9 C10 120.6(6) . . ?
N3 C9 C10 116.4(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
N22 C12 S3 113.5(5) . . ?
N22 C12 C11 124.0(6) . . ?
C11 C12 S3 122.5(5) . . ?
N23 C13 S3 113.0(4) . . ?
N23 C13 N24 121.8(5) . . ?
N24 C13 S3 125.2(5) . . ?
O2 C14 N24 122.2(6) . . ?
O2 C14 C15 122.6(6) . . ?
N24 C14 C15 115.1(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
O4 C17 N15 121.6(6) . . ?
O4 C17 C16 121.2(6) . . ?
N15 C17 C16 117.2(6) . . ?
N14 C18 S8 112.6(4) . . ?
N14 C18 N15 121.7(5) . . ?
N15 C18 S8 125.7(5) . . ?
N13 C19 S8 113.8(5) . . ?
N13 C19 C20 122.6(6) . . ?
C20 C19 S8 123.7(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
N12 C22 S2 113.8(5) . . ?
N12 C22 C21 122.6(6) . . ?
C21 C22 S2 123.7(5) . . ?
N10 C23 S2 126.3(5) . . ?
N11 C23 S2 112.5(4) . . ?
N11 C23 N10 121.2(5) . . ?
O8 C24 N10 121.3(6) . . ?
O8 C24 C25 121.0(6) . . ?
N10 C24 C25 117.7(6) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
N9 C27 S1 113.4(5) . . ?
N9 C27 C26 122.9(7) . . ?
C26 C27 S1 123.7(6) . . ?
N7 C28 S1 126.2(5) . . ?
N8 C28 S1 112.3(5) . . ?
N8 C28 N7 121.6(7) . . ?
O7 C29 N7 123.2(7) . . ?
O7 C29 C30 120.4(7) . . ?
N7 C29 C30 116.5(7) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
O5 C32 N21 123.0(6) . . ?
O5 C32 C31 120.6(6) . . ?
N21 C32 C31 116.4(6) . . ?
N20 C33 S6 113.2(5) . . ?
N20 C33 N21 121.6(6) . . ?
N21 C33 S6 125.2(5) . . ?
N19 C34 S6 113.7(5) . . ?
N19 C34 C35 124.4(6) . . ?
C35 C34 S6 121.9(5) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
C37 C36 H36C 109.5 . . ?
O6 C37 N6 123.4(7) . . ?
O6 C37 C36 120.0(7) . . ?
N6 C37 C36 116.7(7) . . ?
N5 C38 S5 112.8(5) . . ?
N5 C38 N6 121.6(7) . . ?
N6 C38 S5 125.6(5) . . ?
N4 C39 S5 114.0(6) . . ?
N4 C39 C40 123.1(7) . . ?
C40 C39 S5 122.9(6) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Cl5 C41 Cl6 108.8(10) . . ?
Cl5 C41 Cl7 105.4(9) . . ?
Cl5 C41 H41 112.4 . . ?
Cl6 C41 Cl7 104.9(12) . . ?
Cl6 C41 H41 112.4 . . ?
Cl7 C41 H41 112.4 . . ?
Cl2 C42 Cl3 108.3(6) . . ?
Cl2 C42 H42 109.0 . . ?
Cl3 C42 H42 109.0 . . ?
Cl4 C42 Cl2 110.2(6) . . ?
Cl4 C42 Cl3 111.3(7) . . ?
Cl4 C42 H42 109.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 O8 C24 N10 -167.2(5) 2 . . . ?
Ag1 O8 C24 C25 11.8(10) 2 . . . ?
Ag1 N6 C37 O6 174.8(6) . . . . ?
Ag1 N6 C37 C36 -5.8(9) . . . . ?
Ag1 N6 C38 S5 -171.5(4) . . . . ?
Ag1 N6 C38 N5 8.4(9) . . . . ?
Ag1 N7 C28 S1 169.2(4) . . . . ?
Ag1 N7 C28 N8 -10.5(9) . . . . ?
Ag1 N7 C29 O7 -168.6(6) . . . . ?
Ag1 N7 C29 C30 12.2(9) . . . . ?
Ag2 O9 N26 O10 -123.5(8) . . . . ?
Ag2 O9 N26 O11 58.4(11) . . . . ?
Ag2 N5 C38 S5 179.2(3) . . . . ?
Ag2 N5 C38 N6 -0.7(10) . . . . ?
Ag2 N8 N9 Ag3 2.0(6) . . . . ?
Ag2 N8 N9 C27 178.0(5) . . . . ?
Ag2 N8 C28 S1 -177.5(3) . . . . ?
Ag2 N8 C28 N7 2.3(10) . . . . ?
Ag3 O11 N26 O9 -24.3(12) . . . . ?
Ag3 O11 N26 O10 157.7(7) . . . . ?
Ag3 N9 C27 S1 174.9(3) . . . . ?
Ag3 N9 C27 C26 -3.2(11) . . . . ?
Ag3 N22 N23 Ag6 2.1(5) . . . . ?
Ag3 N22 N23 C13 -175.3(4) . . . . ?
Ag3 N22 C12 S3 174.4(3) . . . . ?
Ag3 N22 C12 C11 -4.5(9) . . . . ?
Ag4 N11 N12 Ag6 7.8(6) . . . . ?
Ag4 N11 N12 C22 -171.7(5) . . . . ?
Ag4 N11 C23 S2 169.4(3) . . . . ?
Ag4 N11 C23 N10 -9.7(10) . . . . ?
Ag4 N13 N14 Ag6 5.8(6) . . . . ?
Ag4 N13 N14 C18 179.5(4) . . . . ?
Ag4 N13 C19 S8 -177.4(3) . . . . ?
Ag4 N13 C19 C20 3.5(9) . . . . ?
Ag4 N20 C33 S6 177.0(3) . . . . ?
Ag4 N20 C33 N21 -2.5(10) . . . . ?
Ag5 N10 C23 S2 177.6(3) . . . . ?
Ag5 N10 C23 N11 -3.5(8) . . . . ?
Ag5 N10 C24 O8 -177.2(5) . . . . ?
Ag5 N10 C24 C25 3.8(9) . . . . ?
Ag5 N21 C32 O5 178.3(5) . . . . ?
Ag5 N21 C32 C31 -3.2(9) . . . . ?
Ag5 N21 C33 S6 -172.9(3) . . . . ?
Ag5 N21 C33 N20 6.5(8) . . . . ?
Ag6 N12 C22 S2 -179.4(3) . . . . ?
Ag6 N12 C22 C21 2.4(10) . . . . ?
Ag6 N14 C18 S8 169.6(3) . . . . ?
Ag6 N14 C18 N15 -11.0(9) . . . . ?
Ag6 N23 C13 S3 -176.5(3) . . . . ?
Ag6 N23 C13 N24 4.9(9) . . . . ?
Ag7 N15 C17 O4 175.8(5) . . . . ?
Ag7 N15 C17 C16 -3.8(9) . . . . ?
Ag7 N15 C18 S8 179.2(3) . . . . ?
Ag7 N15 C18 N14 -0.1(8) . . . . ?
Ag7 N24 C13 S3 -172.6(3) . . . . ?
Ag7 N24 C13 N23 5.8(8) . . . . ?
Ag7 N24 C14 O2 179.1(5) . . . . ?
Ag7 N24 C14 C15 1.6(8) . . . . ?
Ag8 O4 C17 N15 -177.9(5) 2_655 . . . ?
Ag8 O4 C17 C16 1.8(9) 2_655 . . . ?
Ag8 N3 C8 S4 -170.4(3) . . . . ?
Ag8 N3 C8 N1 9.0(8) . . . . ?
Ag8 N3 C9 O1 171.0(5) . . . . ?
Ag8 N3 C9 C10 -8.1(8) . . . . ?
Ag8 N18 C3 S7 172.1(3) . . . . ?
Ag8 N18 C3 N17 -8.8(9) . . . . ?
Ag8 N18 C4 O3 -167.1(7) . . . . ?
Ag8 N18 C4 C5 13.6(9) . . . . ?
Ag9 O12 N25 O13 84.4(9) . . . . ?
Ag9 O12 N25 O14 -94.3(9) . . . . ?
Ag9 N1 N2 Ag10 -4.8(6) . . . . ?
Ag9 N1 N2 C7 175.0(5) . . . . ?
Ag9 N1 C8 S4 -174.4(3) . . . . ?
Ag9 N1 C8 N3 6.1(9) . . . . ?
Ag9 N17 C3 S7 -173.1(3) . . . . ?
Ag9 N17 C3 N18 7.7(10) . . . . ?
Ag10 N2 C7 S4 -179.4(3) . . . . ?
Ag10 N2 C7 C6 -1.4(12) . . . . ?
Ag10 N4 N5 Ag2 -10.2(6) . . . . ?
Ag10 N4 N5 C38 168.5(5) . . . . ?
Ag10 N4 C39 S5 -168.5(3) . . . . ?
Ag10 N4 C39 C40 11.1(11) . . . . ?
Ag11 O12 N25 O13 -4.8(8) . . . . ?
Ag11 O12 N25 O14 176.6(6) . . . . ?
Ag11 N16 N17 Ag9 1.4(6) . . . . ?
Ag11 N16 N17 C3 -172.7(4) . . . . ?
Ag11 N16 C2 S7 172.0(3) . . . . ?
Ag11 N16 C2 C1 -5.6(10) . . . . ?
Ag11 N19 N20 Ag4 7.0(5) . . . . ?
Ag11 N19 N20 C33 -175.4(4) . . . . ?
Ag11 N19 C34 S6 174.7(3) . . . . ?
Ag11 N19 C34 C35 -5.4(10) . . . . ?
N1 N2 C7 S4 0.8(8) . . . . ?
N1 N2 C7 C6 178.8(8) . . . . ?
N2 N1 C8 S4 1.8(7) . . . . ?
N2 N1 C8 N3 -177.7(6) . . . . ?
N4 N5 C38 S5 0.8(7) . . . . ?
N4 N5 C38 N6 -179.1(6) . . . . ?
N5 N4 C39 S5 -0.2(8) . . . . ?
N5 N4 C39 C40 179.4(7) . . . . ?
N8 N9 C27 S1 -0.5(8) . . . . ?
N8 N9 C27 C26 -178.6(7) . . . . ?
N9 N8 C28 S1 -1.2(7) . . . . ?
N9 N8 C28 N7 178.5(6) . . . . ?
N11 N12 C22 S2 0.1(8) . . . . ?
N11 N12 C22 C21 -178.1(7) . . . . ?
N12 N11 C23 S2 -2.2(7) . . . . ?
N12 N11 C23 N10 178.7(6) . . . . ?
N13 N14 C18 S8 -2.8(7) . . . . ?
N13 N14 C18 N15 176.6(5) . . . . ?
N14 N13 C19 S8 0.6(7) . . . . ?
N14 N13 C19 C20 -178.5(6) . . . . ?
N16 N17 C3 S7 0.0(7) . . . . ?
N16 N17 C3 N18 -179.2(6) . . . . ?
N17 N16 C2 S7 0.5(8) . . . . ?
N17 N16 C2 C1 -177.1(6) . . . . ?
N19 N20 C33 S6 0.0(7) . . . . ?
N19 N20 C33 N21 -179.4(5) . . . . ?
N20 N19 C34 S6 -0.7(7) . . . . ?
N20 N19 C34 C35 179.2(6) . . . . ?
N22 N23 C13 S3 0.4(6) . . . . ?
N22 N23 C13 N24 -178.2(5) . . . . ?
N23 N22 C12 S3 -0.4(7) . . . . ?
N23 N22 C12 C11 -179.3(6) . . . . ?
C2 S7 C3 N17 0.2(5) . . . . ?
C2 S7 C3 N18 179.4(6) . . . . ?
C2 N16 N17 Ag9 173.8(5) . . . . ?
C2 N16 N17 C3 -0.3(8) . . . . ?
C3 S7 C2 N16 -0.4(6) . . . . ?
C3 S7 C2 C1 177.2(7) . . . . ?
C3 N18 C4 O3 -1.8(11) . . . . ?
C3 N18 C4 C5 179.0(7) . . . . ?
C4 N18 C3 S7 6.2(9) . . . . ?
C4 N18 C3 N17 -174.7(6) . . . . ?
C7 S4 C8 N1 -1.1(5) . . . . ?
C7 S4 C8 N3 178.3(6) . . . . ?
C8 S4 C7 N2 0.2(6) . . . . ?
C8 S4 C7 C6 -177.9(8) . . . . ?
C8 N1 N2 Ag10 178.5(4) . . . . ?
C8 N1 N2 C7 -1.7(8) . . . . ?
C8 N3 C9 O1 2.4(10) . . . . ?
C8 N3 C9 C10 -176.7(6) . . . . ?
C9 N3 C8 S4 -1.6(9) . . . . ?
C9 N3 C8 N1 177.8(6) . . . . ?
C12 S3 C13 N23 -0.5(5) . . . . ?
C12 S3 C13 N24 178.0(6) . . . . ?
C12 N22 N23 Ag6 177.4(4) . . . . ?
C12 N22 N23 C13 0.0(7) . . . . ?
C13 S3 C12 N22 0.5(5) . . . . ?
C13 S3 C12 C11 179.4(6) . . . . ?
C13 N24 C14 O2 -0.2(10) . . . . ?
C13 N24 C14 C15 -177.6(6) . . . . ?
C14 N24 C13 S3 6.7(8) . . . . ?
C14 N24 C13 N23 -174.9(6) . . . . ?
C17 N15 C18 S8 0.2(9) . . . . ?
C17 N15 C18 N14 -179.1(6) . . . . ?
C18 S8 C19 N13 -1.7(5) . . . . ?
C18 S8 C19 C20 177.3(6) . . . . ?
C18 N15 C17 O4 -5.2(10) . . . . ?
C18 N15 C17 C16 175.1(6) . . . . ?
C19 S8 C18 N14 2.5(5) . . . . ?
C19 S8 C18 N15 -176.8(6) . . . . ?
C19 N13 N14 Ag6 -172.2(4) . . . . ?
C19 N13 N14 C18 1.4(8) . . . . ?
C22 S2 C23 N10 -179.1(6) . . . . ?
C22 S2 C23 N11 1.9(5) . . . . ?
C23 S2 C22 N12 -1.1(6) . . . . ?
C23 S2 C22 C21 177.1(7) . . . . ?
C23 N10 C24 O8 -1.4(10) . . . . ?
C23 N10 C24 C25 179.5(6) . . . . ?
C23 N11 N12 Ag6 -179.1(4) . . . . ?
C23 N11 N12 C22 1.4(8) . . . . ?
C24 N10 C23 S2 1.7(9) . . . . ?
C24 N10 C23 N11 -179.3(6) . . . . ?
C27 S1 C28 N7 -178.9(6) . . . . ?
C27 S1 C28 N8 0.8(6) . . . . ?
C28 S1 C27 N9 -0.2(6) . . . . ?
C28 S1 C27 C26 177.9(7) . . . . ?
C28 N7 C29 O7 -2.7(10) . . . . ?
C28 N7 C29 C30 178.2(6) . . . . ?
C28 N8 N9 Ag3 -174.8(5) . . . . ?
C28 N8 N9 C27 1.1(9) . . . . ?
C29 N7 C28 S1 2.7(9) . . . . ?
C29 N7 C28 N8 -177.1(6) . . . . ?
C32 N21 C33 S6 4.2(9) . . . . ?
C32 N21 C33 N20 -176.5(6) . . . . ?
C33 S6 C34 N19 0.6(5) . . . . ?
C33 S6 C34 C35 -179.3(6) . . . . ?
C33 N21 C32 O5 1.4(10) . . . . ?
C33 N21 C32 C31 180.0(6) . . . . ?
C34 S6 C33 N20 -0.3(5) . . . . ?
C34 S6 C33 N21 179.1(6) . . . . ?
C34 N19 N20 Ag4 -177.1(4) . . . . ?
C34 N19 N20 C33 0.4(8) . . . . ?
C37 N6 C38 S5 1.7(9) . . . . ?
C37 N6 C38 N5 -178.4(7) . . . . ?
C38 S5 C39 N4 0.5(6) . . . . ?
C38 S5 C39 C40 -179.0(7) . . . . ?
C38 N6 C37 O6 1.8(11) . . . . ?
C38 N6 C37 C36 -178.8(6) . . . . ?
C39 S5 C38 N5 -0.8(6) . . . . ?
C39 S5 C38 N6 179.2(7) . . . . ?
C39 N4 N5 Ag2 -179.0(5) . . . . ?
C39 N4 N5 C38 -0.4(9) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.447 0.750 0.692 642.6 201.7 ?
2 -0.716 0.250 0.040 642.6 205.7 ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
-1 0 1 2.214
0 0 2 3.717

_platon_squeeze_details          
;
TITL 2018091227_a.res in P2(1)/n
CELL   24.3355   15.0489   25.0087     90.00    108.00     90.00
SPGR P21/n
# Solvent Accessible Volume =      1382
# Electrons Found in S.A.V. =       378
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 0.862 0.239 0.157 !      15.45 eA-3
Q102 0.088 0.919 0.367 !       9.33 eA-3
Q103 0.063 0.864 0.338 !       9.24 eA-3
C104 0.926 0.453 0.777 !       8.42 eA-3
Q105 0.830 0.660 0.544 !       8.07 eA-3
Q106 0.877 0.130 0.338 !       7.42 eA-3
C107 0.213 0.346-0.001 !       7.18 eA-3
Q108 0.540 0.226 0.280 !       6.91 eA-3
Q109 0.624 0.884 0.437 !       6.71 eA-3
Q110 0.505 0.222 0.241 !       6.61 eA-3
Q111 0.690 0.621 0.687 !       6.32 eA-3
C112 0.834 0.441 0.058 !       6.17 eA-3
Q113 0.643 0.561 0.180 !       5.82 eA-3
Q114 0.131 0.109 0.162 !       5.60 eA-3
Q115 0.173 0.810 0.160 !       5.06 eA-3
C116 0.467 0.799 0.275 !       4.91 eA-3
Q117 0.914 0.902 0.148 !       4.81 eA-3
C118 0.243 0.275 0.044 !       4.37 eA-3
C119 0.008 0.345 0.247 !       4.25 eA-3
C120 0.134 0.423 0.428 !       4.19 eA-3
C121 0.460 0.886 0.231 !       4.14 eA-3
Q122 0.392 0.545 0.612 !       3.74 eA-3
C123 0.468 0.986 0.277 !       3.55 eA-3
Q124 0.141 0.035 0.173 !       3.47 eA-3
Q125 0.625 0.345 0.260 !       3.41 eA-3
Q126 0.375 0.795 0.376 !       3.13 eA-3
Q127 0.524 0.574 0.185 !       3.09 eA-3
Q128 0.957 0.373 0.275 !       3.00 eA-3
Q129 0.108 0.846 0.249 !       2.96 eA-3
Q130 0.611 0.405 0.224 !       2.88 eA-3
C131 0.487 0.099 0.716 !       2.80 eA-3
Q132 0.420 0.342 0.298 !       2.73 eA-3
Q133 0.920 0.155 0.796 !       2.73 eA-3
Q134 0.960 0.014 0.293 !       2.61 eA-3
Q135 0.107 0.439 0.044 !       2.47 eA-3
Q136 0.139 0.378 0.059 !       2.42 eA-3
Q137 0.141 0.237 0.336 !       2.39 eA-3
Q138 0.025 0.073 0.185 !       2.35 eA-3
Q139 0.322 0.060 0.029 !       2.28 eA-3
C140 0.170 0.529 0.455 !       2.21 eA-3
Q141 0.336 0.673 0.145 !       2.20 eA-3
Q142 0.039 0.993 0.206 !       2.19 eA-3
Q143 0.528 0.911 0.052 !       1.99 eA-3
Q144 0.852 0.330 0.392 !       1.91 eA-3
Q145 0.463 0.384 0.132 !       1.83 eA-3
C146 0.950 0.422 0.241 !       1.81 eA-3
Q147 0.295 0.548 0.063 !       1.74 eA-3
Q148 0.560 0.642 0.749 !       1.72 eA-3
Q149 0.571 0.930 0.035 !       1.65 eA-3
Q150 0.429 0.153 0.829 !       1.64 eA-3
Q151 0.218 0.904 0.222 !       1.63 eA-3
Q152 0.881 0.288 0.381 !       1.59 eA-3
Q153 0.248 0.206 0.311 !       1.58 eA-3
Q154 0.307 0.641 0.822 !       1.54 eA-3
C155 0.438 0.873 0.116 !       1.53 eA-3
Q156 0.321 0.919 0.776 !       1.51 eA-3
Q157 0.491 0.223 0.288 !       1.50 eA-3
Q158 0.873 0.718 0.460 !       1.49 eA-3
Q159 0.745 0.049 0.653 !       1.48 eA-3
Q160 0.025 0.388 0.054 !       1.44 eA-3
Q161 0.749 0.027 0.670 !       1.44 eA-3
Q162 0.381 0.360 0.146 !       1.43 eA-3
Q163 1.000 0.909 0.266 !       1.40 eA-3
Q164 0.364 0.332 0.280 !       1.39 eA-3
Q165 0.241 0.222 0.205 !       1.38 eA-3
Q166 0.358 0.403 0.182 !       1.38 eA-3
Q167 0.260 0.033 0.356 !       1.38 eA-3
Q168 0.352 0.254 0.101 !       1.37 eA-3
Q169 0.864 0.389 0.657 !       1.36 eA-3
Q170 0.986 0.136 0.981 !       1.36 eA-3
Q171 0.638 0.713 0.636 !       1.36 eA-3
C172 0.559 0.118 0.840 !       1.35 eA-3
Q173 0.013 0.451 0.668 !       1.35 eA-3
Q174 0.585 0.751 0.817 !       1.33 eA-3
Q175 0.096 0.414 0.467 !       1.33 eA-3
Q176 0.016 0.203 0.762 !       1.33 eA-3
Q177 0.772 0.265 0.196 !       1.32 eA-3
Q178 0.228 0.735 0.804 !       1.32 eA-3
Q179 0.890 0.112 0.671 !       1.30 eA-3
Q180 0.851 0.471 0.016 !       1.30 eA-3
Q181 0.937 0.928 0.108 !       1.30 eA-3
Q182 0.939 0.031 0.335 !       1.30 eA-3
Q183 0.712 0.421 0.200 !       1.30 eA-3
Q184 0.592 0.187 0.665 !       1.29 eA-3
Q185 0.677 0.641 0.068 !       1.27 eA-3
Q186 0.214 0.857 0.147 !       1.27 eA-3
Q187 0.132 0.242 0.818 !       1.26 eA-3
Q188 0.953 0.137 0.711 !       1.24 eA-3
Q189 0.048 0.405 0.449 !       1.22 eA-3
Q190 0.477 0.885 0.057 !       1.21 eA-3
Q191 0.647 0.281 0.401 !       1.21 eA-3
Q192 0.980 0.952 0.394 !       1.20 eA-3
Q193 0.062 0.013 0.168 !       1.20 eA-3
Q194 0.311 0.560 0.433 !       1.20 eA-3
Q195 0.291 0.295 0.428 !       1.20 eA-3
Q196 0.201 0.411 0.319 !       1.19 eA-3
Q197 0.212 0.738 0.814 !       1.19 eA-3
Q198 0.964 0.060 0.648 !       1.19 eA-3
Q199 0.553 0.742 0.397 !       1.18 eA-3
;
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 0.321 -0.250 0.567 692 189 ' '
2 0.301 0.250 0.056 691 189 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.654
_oxdiff_exptl_absorpt_empirical_full_min 0.634
