# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 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_SD_Ag44a
_database_code_depnum_ccdc_archive 'CCDC 1900808'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2019-03-04 deposited with the CCDC.	2019-05-20 downloaded from the CCDC.
;
_audit_creation_date             2017-10-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C148 H194 Ag44 O84 S38 V10'
_chemical_formula_sum            'C148 H194 Ag44 O84 S38 V10'
_chemical_formula_weight         9790.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHSAg
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.9658(6)
_cell_length_b                   20.2722(14)
_cell_length_c                   20.4027(12)
_cell_angle_alpha                60.809(7)
_cell_angle_beta                 70.785(4)
_cell_angle_gamma                78.996(4)
_cell_volume                     6803.0(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    11909
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      26.9170
_cell_measurement_theta_min      3.4550
_shelx_estimated_absorpt_T_max   0.834
_shelx_estimated_absorpt_T_min   0.753
_exptl_absorpt_coefficient_mu    3.766
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.30d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4660
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1071
_diffrn_reflns_av_unetI/netI     0.1061
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            76924
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.370
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -26.00  29.00   1.00  120.00    --   -4.32 -99.00 -30.00   55
  2  ω    -15.00  69.00   1.00  120.00    --   -4.32  29.00  53.00   84
  3  ω    -78.00   4.00   1.00  120.00    --   -4.32 -29.00-107.00   82
  4  ω     -5.00  78.00   1.00  120.00    --    5.49  37.00-180.00   83
  5  ω    -67.00  19.00   1.00  120.00    --    5.49 -57.00-150.00   86
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0126980000
_diffrn_orient_matrix_UB_12      -0.0191645000
_diffrn_orient_matrix_UB_13      0.0413340000
_diffrn_orient_matrix_UB_21      0.0066347000
_diffrn_orient_matrix_UB_22      -0.0352139000
_diffrn_orient_matrix_UB_23      -0.0009461000
_diffrn_orient_matrix_UB_31      0.0348132000
_diffrn_orient_matrix_UB_32      -0.0018240000
_diffrn_orient_matrix_UB_33      0.0028949000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16252
_reflns_number_total             24752
_reflns_odcompleteness_completeness 99.32
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.30d (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    ?
_refine_diff_density_max         4.277
_refine_diff_density_min         -1.816
_refine_diff_density_rms         0.303
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1457
_refine_ls_number_reflns         24752
_refine_ls_number_restraints     359
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0858
_refine_ls_restrained_S_all      1.023
_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)+(0.1282P)²+52.3725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2125
_refine_ls_wR_factor_ref         0.2387
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C4-C3
 1.55 with sigma of 0.01
 C32-C31
 1.55 with sigma of 0.01
 C6-C5A
 1.55 with sigma of 0.01
 C6-C5
 1.55 with sigma of 0.01
 C4-C3A
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim O21 \\sim O22 \\sim
O23 \\sim S12: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008
C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73 \\sim C74: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C7 \\sim C8 \\sim S4: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
C25 \\sim C26 \\sim S8: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
O15 \\sim O16 \\sim O17 \\sim S17: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.008
C5 \\sim C5A \\sim C6 \\sim S3: within 1.7A with sigma of 0.004 and sigma for
terminal atoms of 0.008
C57 \\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C3 \\sim C3A \\sim C4: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
Uanis(C6) \\sim Ueq: with sigma of 0.007 and sigma for terminal atoms of 0.02
Uanis(O13) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.01
Uanis(O4) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.01
Uanis(O3) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.01
4. Others
 Sof(Ag1A)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
 Fixed Sof: C3(0.7) H3A(0.7) H3B(0.7) H3C(0.7) C3A(0.3) H3AA(0.3) H3AB(0.3)
 H3AC(0.3) H4BC(0.4) H4BD(0.4) H4AA(0.6) H4AB(0.6) C5(0.4) H5A(0.4) H5B(0.4)
 H5C(0.4) C5A(0.6) H5AA(0.6) H5AB(0.6) H5AC(0.6) H6BC(0.6) H6BD(0.6) H6AA(0.4)
 H6AB(0.4)
5.a Rotating group:
 O1W(H1WA,H1WB)
5.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C4(H4BC,H4BD), C4(H4AA,H4AB), C6(H6BC,H6BD), C6(H6AA,H6AB),
 C7(H7A,H7B), C9(H9A,H9B), C11(H11A,H11B), C26(H26A,H26B), C28(H28A,H28B),
 C29(H29A,H29B), C32(H32A,H32B)
5.c Me refined with riding coordinates:
 C3A(H3AA,H3AB,H3AC)
5.d Aromatic/amide H refined with riding coordinates:
 C14(H14), C18(H18), C17(H17), C16(H16), C15(H15), C20(H20), C21(H21),
 C22(H22), C23(H23), C24(H24), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38),
  C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C46(H46), C47(H47),
 C48(H48), C49(H49), C50(H50), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56),
  C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C64(H64), C65(H65),
 C66(H66), C67(H67), C68(H68), C70(H70), C71(H71), C72(H72), C73(H73), C74(H74)
5.e Fitted hexagon refined as free rotating group:
 C14(C13,C18,C17,C16,C15)
5.f Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C5A(H5AA,H5AB,H5AC),
 C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C25(H25A,H25B,H25C),
  C27(H27A,H27B,H27C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.82038(11) 0.7399(4) 0.30274(18) 0.0542(15) Uani 0.704(19) 1 d . . P A
1
Ag1A Ag 0.8224(2) 0.6978(13) 0.3016(4) 0.060(4) Uani 0.296(19) 1 d . . P A 2
Ag2 Ag 0.69685(6) 0.80684(8) 0.41576(9) 0.0474(3) Uani 1 1 d . . . . .
Ag3 Ag 0.87626(6) 0.77458(9) 0.47163(9) 0.0519(4) Uani 1 1 d . . . . .
Ag4 Ag 0.68793(6) 0.61669(7) 0.34754(8) 0.0411(3) Uani 1 1 d . . . . .
Ag5 Ag 0.60594(5) 0.67295(7) 0.46565(7) 0.0359(3) Uani 1 1 d . . . . .
Ag6 Ag 0.65453(6) 0.68602(7) 0.58235(8) 0.0432(3) Uani 1 1 d . . . . .
Ag7 Ag 0.77266(6) 0.66019(8) 0.64472(8) 0.0421(3) Uani 1 1 d . . . . .
Ag8 Ag 0.68976(6) 0.52530(8) 0.69172(8) 0.0428(3) Uani 1 1 d . . . . .
Ag9 Ag 1.02394(7) 0.58958(8) 0.73133(11) 0.0662(5) Uani 1 1 d . . . . .
Ag10 Ag 0.84754(5) 0.53564(7) 0.81619(7) 0.0386(3) Uani 1 1 d . . . . .
Ag11 Ag 0.72723(6) 0.40830(8) 0.84505(8) 0.0479(3) Uani 1 1 d . . . . .
Ag12 Ag 0.75925(9) 0.23157(10) 0.78393(10) 0.0670(4) Uani 1 1 d . . . . .
Ag13 Ag 0.64768(5) 0.34403(7) 0.68424(8) 0.0436(3) Uani 1 1 d . . . . .
Ag14 Ag 0.64714(9) 0.50771(9) 0.52244(9) 0.0626(4) Uani 1 1 d . . . . .
Ag15 Ag 0.74204(5) 0.37002(7) 0.52688(7) 0.0376(3) Uani 1 1 d . . . . .
Ag16 Ag 0.81390(7) 0.45966(11) 0.32913(10) 0.0698(5) Uani 1 1 d . . . . .
Ag17 Ag 0.87842(5) 0.26665(7) 0.60589(9) 0.0445(3) Uani 1 1 d . . . . .
Ag18 Ag 1.00848(8) 0.29269(8) 0.44820(8) 0.0507(3) Uani 1 1 d . . . . .
Ag19 Ag 1.04184(6) 0.18350(7) 0.69769(8) 0.0413(3) Uani 1 1 d . . . . .
Ag20 Ag 0.92460(5) 0.27285(7) 0.77047(8) 0.0412(3) Uani 1 1 d . . . . .
Ag21 Ag 1.03095(6) 0.38482(7) 0.74885(7) 0.0389(3) Uani 1 1 d . . . . .
Ag22 Ag 0.87843(6) 0.39160(8) 0.81602(9) 0.0484(3) Uani 1 1 d . . . . .
C1 C 0.5197(7) 0.5570(12) 0.6603(11) 0.055(5) Uani 1 1 d . . . . .
H1A H 0.4892 0.5894 0.6256 0.066 Uiso 1 1 calc R . . . .
H1B H 0.5080 0.5037 0.6815 0.066 Uiso 1 1 calc R . . . .
C2 C 0.5040(11) 0.5756(13) 0.7249(13) 0.076(7) Uani 1 1 d . . . . .
H2A H 0.5052 0.6305 0.7041 0.114 Uiso 1 1 calc GR . . . .
H2B H 0.5396 0.5505 0.7540 0.114 Uiso 1 1 calc GR . . . .
H2C H 0.4568 0.5583 0.7598 0.114 Uiso 1 1 calc GR . . . .
C3 C 0.6794(15) 0.796(2) 0.1861(16) 0.076(6) Uani 0.7 1 d D U P B 1
H3A H 0.7290 0.8088 0.1568 0.114 Uiso 0.7 1 calc GR . P B 1
H3B H 0.6487 0.8264 0.1518 0.114 Uiso 0.7 1 calc GR . P B 1
H3C H 0.6737 0.7424 0.2052 0.114 Uiso 0.7 1 calc GR . P B 1
C3A C 0.655(3) 0.8965(19) 0.242(4) 0.072(8) Uani 0.3 1 d D U P B 2
H3AA H 0.6458 0.9309 0.1916 0.108 Uiso 0.3 1 calc R . P B 2
H3AB H 0.7005 0.9082 0.2422 0.108 Uiso 0.3 1 calc R . P B 2
H3AC H 0.6170 0.9026 0.2838 0.108 Uiso 0.3 1 calc R . P B 2
C4 C 0.6587(9) 0.8138(13) 0.2560(12) 0.067(5) Uani 1 1 d D U . . .
H4BC H 0.6889 0.8114 0.2077 0.081 Uiso 0.4 1 calc R . P B 2
H4BD H 0.6104 0.8000 0.2649 0.081 Uiso 0.4 1 calc R . P B 2
H4AA H 0.6063 0.8172 0.2746 0.081 Uiso 0.6 1 calc R . P B 1
H4AB H 0.6768 0.8637 0.2381 0.081 Uiso 0.6 1 calc R . P B 1
C5 C 0.657(2) 0.456(3) 0.3149(14) 0.058(6) Uani 0.4 1 d D U P C 1
H5A H 0.6973 0.4900 0.2854 0.088 Uiso 0.4 1 calc GR . P C 1
H5B H 0.6175 0.4792 0.2921 0.088 Uiso 0.4 1 calc GR . P C 1
H5C H 0.6721 0.4079 0.3126 0.088 Uiso 0.4 1 calc GR . P C 1
C5A C 0.6393(15) 0.3543(11) 0.4370(17) 0.056(5) Uani 0.6 1 d D U P C 2
H5AA H 0.6849 0.3383 0.4104 0.085 Uiso 0.6 1 calc GR . P C 2
H5AB H 0.6005 0.3367 0.4307 0.085 Uiso 0.6 1 calc GR . P C 2
H5AC H 0.6358 0.3325 0.4927 0.085 Uiso 0.6 1 calc GR . P C 2
C6 C 0.6345(9) 0.4410(10) 0.4012(10) 0.056(4) Uani 1 1 d D U . . .
H6BC H 0.5868 0.4574 0.4247 0.067 Uiso 0.6 1 calc R . P C 2
H6BD H 0.6410 0.4631 0.3444 0.067 Uiso 0.6 1 calc R . P C 2
H6AA H 0.6289 0.3862 0.4364 0.067 Uiso 0.4 1 calc R . P C 1
H6AB H 0.5883 0.4674 0.4123 0.067 Uiso 0.4 1 calc R . P C 1
C7 C 0.7172(12) 0.1803(12) 0.6537(16) 0.078(6) Uani 1 1 d . U . . .
H7A H 0.6652 0.1769 0.6771 0.094 Uiso 1 1 calc R . . . .
H7B H 0.7271 0.1899 0.5990 0.094 Uiso 1 1 calc R . . . .
C8 C 0.7492(14) 0.1116(13) 0.6942(18) 0.097(6) Uani 1 1 d . U . . .
H8A H 0.7357 0.0726 0.6862 0.145 Uiso 1 1 calc GR . . . .
H8B H 0.7338 0.0977 0.7500 0.145 Uiso 1 1 calc GR . . . .
H8C H 0.8009 0.1158 0.6750 0.145 Uiso 1 1 calc GR . . . .
C9 C 0.7929(8) 0.2255(11) 0.9457(10) 0.048(4) Uani 1 1 d . . . . .
H9A H 0.8130 0.1760 0.9483 0.058 Uiso 1 1 calc R . . . .
H9B H 0.8214 0.2419 0.9663 0.058 Uiso 1 1 calc R . . . .
C10 C 0.7171(11) 0.2158(19) 0.9970(14) 0.099(10) Uani 1 1 d . . . . .
H10A H 0.6868 0.2088 0.9719 0.148 Uiso 1 1 calc GR . . . .
H10B H 0.7005 0.2610 1.0046 0.148 Uiso 1 1 calc GR . . . .
H10C H 0.7151 0.1715 1.0478 0.148 Uiso 1 1 calc GR . . . .
C11 C 1.0550(9) 0.1888(11) 0.8629(11) 0.053(4) Uani 1 1 d . . . . .
H11A H 1.0513 0.1371 0.8711 0.064 Uiso 1 1 calc R . . . .
H11B H 1.1015 0.1909 0.8693 0.064 Uiso 1 1 calc R . . . .
C12 C 0.9976(11) 0.2015(15) 0.9252(13) 0.080(7) Uani 1 1 d . . . . .
H12A H 0.9515 0.2068 0.9153 0.121 Uiso 1 1 calc GR . . . .
H12B H 1.0063 0.2476 0.9248 0.121 Uiso 1 1 calc GR . . . .
H12C H 0.9973 0.1583 0.9763 0.121 Uiso 1 1 calc GR . . . .
C14 C 0.8247(18) -0.023(2) 0.9484(19) 0.186(8) Uiso 1 1 d . U . . .
H14 H 0.8160 -0.0316 0.9099 0.223 Uiso 1 1 calc R . . . .
C13 C 0.8707(17) 0.0319(18) 0.9262(15) 0.179(8) Uiso 1 1 d G U . . .
C18 C 0.8835(15) 0.0438(15) 0.983(2) 0.180(8) Uiso 1 1 d G U . . .
H18 H 0.9149 0.0816 0.9673 0.217 Uiso 1 1 calc R . . . .
C17 C 0.8503(18) 0.000(2) 1.0611(19) 0.182(8) Uiso 1 1 d G U . . .
H17 H 0.8590 0.0084 1.0996 0.218 Uiso 1 1 calc R . . . .
C16 C 0.8043(16) -0.0551(17) 1.0833(15) 0.186(8) Uiso 1 1 d G U . . .
H16 H 0.7816 -0.0848 1.1370 0.224 Uiso 1 1 calc R . . . .
C15 C 0.7915(15) -0.0670(16) 1.027(2) 0.188(8) Uiso 1 1 d G U . . .
H15 H 0.7600 -0.1048 1.0422 0.226 Uiso 1 1 calc R . . . .
C19 C 0.7413(16) 0.3820(17) 1.0942(16) 0.095(4) Uani 1 1 d . U . . .
C20 C 0.6852(16) 0.3329(17) 1.1457(16) 0.099(4) Uani 1 1 d . U . . .
H20 H 0.6572 0.3166 1.1270 0.119 Uiso 1 1 calc R . . . .
C21 C 0.6729(17) 0.3100(17) 1.2225(16) 0.102(4) Uani 1 1 d . U . . .
H21 H 0.6312 0.2829 1.2574 0.122 Uiso 1 1 calc R . . . .
C22 C 0.7175(17) 0.3238(17) 1.2526(17) 0.101(4) Uani 1 1 d . U . . .
H22 H 0.7066 0.3056 1.3075 0.121 Uiso 1 1 calc R . . . .
C23 C 0.7734(17) 0.3609(17) 1.2079(16) 0.098(4) Uani 1 1 d . U . . .
H23 H 0.8039 0.3689 1.2304 0.118 Uiso 1 1 calc R . . . .
C24 C 0.7919(16) 0.3913(16) 1.1234(15) 0.094(4) Uani 1 1 d . U . . .
H24 H 0.8352 0.4157 1.0902 0.113 Uiso 1 1 calc R . . . .
C25 C 0.9846(13) 0.4722(17) 0.9367(16) 0.093(6) Uani 1 1 d . U . . .
H25A H 1.0160 0.5123 0.8939 0.140 Uiso 1 1 calc GR . . . .
H25B H 1.0034 0.4474 0.9823 0.140 Uiso 1 1 calc GR . . . .
H25C H 0.9371 0.4941 0.9504 0.140 Uiso 1 1 calc GR . . . .
C26 C 0.9804(11) 0.4152(15) 0.9116(14) 0.078(6) Uani 1 1 d . U . . .
H26A H 0.9402 0.3819 0.9487 0.094 Uiso 1 1 calc R . . . .
H26B H 1.0246 0.3833 0.9115 0.094 Uiso 1 1 calc R . . . .
C27 C 0.6837(15) 0.6520(18) 0.832(2) 0.111(10) Uani 1 1 d . . . . .
H27A H 0.6851 0.6953 0.7808 0.167 Uiso 1 1 calc GR . . . .
H27B H 0.7306 0.6433 0.8412 0.167 Uiso 1 1 calc GR . . . .
H27C H 0.6485 0.6627 0.8728 0.167 Uiso 1 1 calc GR . . . .
C28 C 0.6640(8) 0.5837(12) 0.8345(12) 0.056(5) Uani 1 1 d . . . . .
H28A H 0.6217 0.5959 0.8150 0.067 Uiso 1 1 calc R . . . .
H28B H 0.6517 0.5434 0.8892 0.067 Uiso 1 1 calc R . . . .
C29 C 0.9882(8) 0.1083(9) 0.6012(10) 0.037(4) Uani 1 1 d . . . . .
H29A H 1.0131 0.0699 0.6397 0.045 Uiso 1 1 calc R . . . .
H29B H 0.9374 0.0962 0.6221 0.045 Uiso 1 1 calc R . . . .
C30 C 1.0177(10) 0.1038(9) 0.5269(11) 0.051(4) Uani 1 1 d . . . . .
H30A H 0.9946 0.1430 0.4880 0.076 Uiso 1 1 calc GR . . . .
H30B H 1.0092 0.0539 0.5352 0.076 Uiso 1 1 calc GR . . . .
H30C H 1.0689 0.1116 0.5082 0.076 Uiso 1 1 calc GR . . . .
C31 C 0.7633(15) 0.8954(17) 0.558(2) 0.144(15) Uani 1 1 d D . . . .
H31A H 0.8067 0.8990 0.5167 0.215 Uiso 1 1 calc GR . . . .
H31B H 0.7743 0.8692 0.6089 0.215 Uiso 1 1 calc GR . . . .
H31C H 0.7437 0.9463 0.5495 0.215 Uiso 1 1 calc GR . . . .
C32 C 0.7086(15) 0.8510(14) 0.5590(18) 0.109(10) Uani 1 1 d D . . . .
H32A H 0.6797 0.8870 0.5238 0.130 Uiso 1 1 calc R . . . .
H32B H 0.6762 0.8273 0.6124 0.130 Uiso 1 1 calc R . . . .
C33 C 0.4471(9) 0.8552(11) 0.5488(13) 0.060(3) Uani 1 1 d . U . . .
C34 C 0.4483(9) 0.9124(12) 0.5633(14) 0.066(3) Uani 1 1 d . U . . .
H34 H 0.4915 0.9241 0.5648 0.079 Uiso 1 1 calc R . . . .
C35 C 0.3886(9) 0.9535(12) 0.5760(14) 0.069(3) Uani 1 1 d . U . . .
H35 H 0.3906 0.9965 0.5822 0.082 Uiso 1 1 calc R . . . .
C36 C 0.3257(9) 0.9340(12) 0.5799(14) 0.069(3) Uani 1 1 d . U . . .
H36 H 0.2828 0.9597 0.5944 0.083 Uiso 1 1 calc R . . . .
C37 C 0.3245(9) 0.8768(12) 0.5628(14) 0.070(3) Uani 1 1 d . U . . .
H37 H 0.2809 0.8654 0.5619 0.084 Uiso 1 1 calc R . . . .
C38 C 0.3838(9) 0.8365(12) 0.5470(13) 0.063(3) Uani 1 1 d . U . . .
H38 H 0.3829 0.7969 0.5352 0.076 Uiso 1 1 calc R . . . .
C39 C 0.8320(18) 1.0333(15) 0.2341(14) 0.102(5) Uani 1 1 d . U . . .
C40 C 0.8991(18) 1.0576(15) 0.1941(14) 0.104(5) Uani 1 1 d . U . . .
H40 H 0.9374 1.0220 0.2055 0.125 Uiso 1 1 calc R . . . .
C41 C 0.9144(18) 1.1275(15) 0.1408(14) 0.109(5) Uani 1 1 d . U . . .
H41 H 0.9624 1.1419 0.1159 0.131 Uiso 1 1 calc R . . . .
C42 C 0.8607(18) 1.1783(16) 0.1220(15) 0.113(5) Uani 1 1 d . U . . .
H42 H 0.8710 1.2279 0.0806 0.135 Uiso 1 1 calc R . . . .
C43 C 0.7951(18) 1.1602(16) 0.1599(15) 0.111(5) Uani 1 1 d . U . . .
H43 H 0.7588 1.1984 0.1478 0.133 Uiso 1 1 calc R . . . .
C44 C 0.7752(18) 1.0853(15) 0.2191(14) 0.107(5) Uani 1 1 d . U . . .
H44 H 0.7271 1.0719 0.2460 0.129 Uiso 1 1 calc R . . . .
C45 C 0.8291(17) 0.6587(19) 0.0806(17) 0.104(4) Uani 1 1 d . U . . .
C46 C 0.8269(16) 0.6105(19) 0.0485(17) 0.106(4) Uani 1 1 d . U . . .
H46 H 0.8183 0.5582 0.0806 0.127 Uiso 1 1 calc R . . . .
C47 C 0.8376(17) 0.6426(19) -0.0287(17) 0.110(5) Uani 1 1 d . U . . .
H47 H 0.8340 0.6150 -0.0539 0.132 Uiso 1 1 calc R . . . .
C48 C 0.8547(17) 0.720(2) -0.0712(19) 0.116(5) Uani 1 1 d . U . . .
H48 H 0.8694 0.7401 -0.1265 0.139 Uiso 1 1 calc R . . . .
C49 C 0.8528(17) 0.772(2) -0.0427(18) 0.116(5) Uani 1 1 d . U . . .
H49 H 0.8604 0.8245 -0.0758 0.140 Uiso 1 1 calc R . . . .
C50 C 0.8386(17) 0.7390(19) 0.0387(17) 0.110(5) Uani 1 1 d . U . . .
H50 H 0.8355 0.7680 0.0648 0.132 Uiso 1 1 calc R . . . .
C51 C 0.4855(8) 0.7357(11) 0.3269(11) 0.049(3) Uani 1 1 d . U . . .
C52 C 0.4859(9) 0.7704(11) 0.2487(11) 0.056(3) Uani 1 1 d . U . . .
H52 H 0.4953 0.7420 0.2207 0.068 Uiso 1 1 calc R . . . .
C53 C 0.4720(9) 0.8480(12) 0.2131(13) 0.064(3) Uani 1 1 d . U . . .
H53 H 0.4697 0.8724 0.1606 0.076 Uiso 1 1 calc R . . . .
C54 C 0.4614(9) 0.8911(13) 0.2524(12) 0.063(3) Uani 1 1 d . U . . .
H54 H 0.4545 0.9444 0.2262 0.075 Uiso 1 1 calc R . . . .
C55 C 0.4610(8) 0.8561(11) 0.3272(12) 0.055(3) Uani 1 1 d . U . . .
H55 H 0.4534 0.8849 0.3546 0.066 Uiso 1 1 calc R . . . .
C56 C 0.4715(8) 0.7791(10) 0.3654(11) 0.048(3) Uani 1 1 d . U . . .
H56 H 0.4690 0.7552 0.4194 0.058 Uiso 1 1 calc R . . . .
C57 C 0.8572(9) 0.1944(12) 0.4082(14) 0.062(3) Uani 1 1 d . U . . .
C58 C 0.8610(9) 0.1949(12) 0.3396(14) 0.064(3) Uani 1 1 d . U . . .
H58 H 0.8593 0.2414 0.2943 0.076 Uiso 1 1 calc R . . . .
C59 C 0.8672(9) 0.1275(12) 0.3370(15) 0.069(3) Uani 1 1 d . U . . .
H59 H 0.8725 0.1274 0.2890 0.083 Uiso 1 1 calc R . . . .
C60 C 0.8659(10) 0.0599(13) 0.4038(15) 0.074(3) Uani 1 1 d . U . . .
H60 H 0.8694 0.0133 0.4021 0.088 Uiso 1 1 calc R . . . .
C61 C 0.8595(10) 0.0603(14) 0.4721(16) 0.077(3) Uani 1 1 d . U . . .
H61 H 0.8592 0.0136 0.5177 0.092 Uiso 1 1 calc R . . . .
C62 C 0.8534(9) 0.1283(13) 0.4764(15) 0.071(3) Uani 1 1 d . U . . .
H62 H 0.8470 0.1287 0.5245 0.085 Uiso 1 1 calc R . . . .
C63 C 1.1217(10) 0.1924(9) 0.2877(11) 0.047(4) Uani 1 1 d . . . . .
C64 C 1.1856(10) 0.1594(13) 0.2695(14) 0.071(6) Uani 1 1 d . . . . .
H64 H 1.2270 0.1814 0.2625 0.085 Uiso 1 1 calc R . . . .
C65 C 1.1926(13) 0.0987(14) 0.2614(16) 0.087(8) Uani 1 1 d . . . . .
H65 H 1.2388 0.0771 0.2497 0.105 Uiso 1 1 calc R . . . .
C66 C 1.1360(17) 0.0651(11) 0.2690(14) 0.083(8) Uani 1 1 d . . . . .
H66 H 1.1430 0.0227 0.2592 0.099 Uiso 1 1 calc R . . . .
C67 C 1.0632(10) 0.1572(13) 0.2988(13) 0.071(6) Uani 1 1 d . . . . .
H67 H 1.0169 0.1778 0.3124 0.085 Uiso 1 1 calc R . . . .
C68 C 1.0717(15) 0.0915(12) 0.2899(17) 0.090(8) Uani 1 1 d . . . . .
H68 H 1.0315 0.0665 0.2989 0.108 Uiso 1 1 calc R . . . .
C69 C 0.4859(10) 0.3886(16) 0.8732(13) 0.078(4) Uani 1 1 d . U . . .
C70 C 0.4383(10) 0.3842(15) 0.8409(13) 0.077(4) Uani 1 1 d . U . . .
H70 H 0.4511 0.3625 0.8063 0.092 Uiso 1 1 calc R . . . .
C71 C 0.3681(11) 0.4139(16) 0.8616(14) 0.084(4) Uani 1 1 d . U . . .
H71 H 0.3330 0.4081 0.8428 0.101 Uiso 1 1 calc R . . . .
C72 C 0.3484(12) 0.4508(17) 0.9077(15) 0.090(4) Uani 1 1 d . U . . .
H72 H 0.3026 0.4739 0.9170 0.108 Uiso 1 1 calc R . . . .
C73 C 0.4007(11) 0.4518(17) 0.9401(15) 0.089(4) Uani 1 1 d . U . . .
H73 H 0.3877 0.4733 0.9750 0.107 Uiso 1 1 calc R . . . .
C74 C 0.4693(10) 0.4235(16) 0.9244(14) 0.084(4) Uani 1 1 d . U . . .
H74 H 0.5036 0.4267 0.9457 0.100 Uiso 1 1 calc R . . . .
O1 O 0.9364(5) 0.5814(6) 0.6600(6) 0.035(2) Uani 1 1 d . . . . .
O1W O 0.6626(10) 0.1527(14) 0.8756(16) 0.140(8) Uani 1 1 d . . . . .
H1WA H 0.6571 0.1466 0.9233 0.210 Uiso 1 1 d GR . . . .
H1WB H 0.6702 0.1052 0.8824 0.210 Uiso 1 1 d GR . . . .
O2 O 0.8685(4) 0.6209(5) 0.5540(6) 0.032(2) Uani 1 1 d . . . . .
O3 O 0.7911(5) 0.6727(6) 0.4499(6) 0.040(2) Uani 1 1 d . U . . .
O4 O 0.8562(4) 0.5589(6) 0.4178(6) 0.032(2) Uani 1 1 d . U . . .
O5 O 0.9075(5) 0.4445(6) 0.3824(6) 0.037(2) Uani 1 1 d . . . . .
O6 O 0.9879(4) 0.4026(5) 0.4838(6) 0.028(2) Uani 1 1 d . . . . .
O7 O 1.0618(5) 0.3491(5) 0.5896(6) 0.032(2) Uani 1 1 d . . . . .
O8 O 1.0026(4) 0.4667(5) 0.6207(6) 0.027(2) Uani 1 1 d . . . . .
O9 O 0.8609(4) 0.4780(6) 0.6676(6) 0.032(2) Uani 1 1 d . . . . .
O10 O 0.7845(4) 0.5280(6) 0.5651(7) 0.040(3) Uani 1 1 d . . . . .
O11 O 0.7674(5) 0.3891(6) 0.6830(7) 0.042(3) Uani 1 1 d . . . . .
O12 O 0.9180(4) 0.3661(5) 0.6352(6) 0.028(2) Uani 1 1 d . . . . .
O13 O 0.8457(4) 0.4150(5) 0.5338(6) 0.028(2) Uani 1 1 d . U . . .
O14 O 1.0710(4) 0.4905(5) 0.4785(5) 0.027(2) Uani 1 1 d . . . . .
O15 O 0.9778(8) 0.0765(9) 0.8080(10) 0.088(3) Uani 1 1 d . U . . .
O16 O 0.8749(10) 0.0389(10) 0.7977(11) 0.097(4) Uani 1 1 d . U . . .
O17 O 0.8711(7) 0.1541(8) 0.7994(9) 0.067(2) Uani 1 1 d . U . . .
O18 O 0.7849(7) 0.4890(8) 0.9575(8) 0.065(4) Uani 1 1 d . . . . .
O19 O 0.6976(6) 0.4093(9) 0.9755(8) 0.070(4) Uani 1 1 d . . . . .
O20 O 0.8169(6) 0.3609(8) 0.9768(7) 0.057(3) Uani 1 1 d . . . . .
O21 O 0.8540(7) 0.9248(8) 0.3640(9) 0.075(3) Uani 1 1 d . U . . .
O22 O 0.7402(6) 0.9315(7) 0.3391(9) 0.064(2) Uani 1 1 d . U . . .
O23 O 0.8491(7) 0.8950(8) 0.2691(9) 0.074(3) Uani 1 1 d . U . . .
O24 O 0.5553(6) 0.7737(7) 0.5968(8) 0.056(3) Uani 1 1 d . . . . .
O25 O 0.5078(5) 0.7413(7) 0.5229(8) 0.052(3) Uani 1 1 d . . . . .
O26 O 0.5745(6) 0.8554(7) 0.4590(9) 0.061(4) Uani 1 1 d . . . . .
O27 O 0.5139(5) 0.6206(7) 0.4482(7) 0.043(3) Uani 1 1 d . . . . .
O28 O 0.5704(5) 0.6244(7) 0.3222(7) 0.049(3) Uani 1 1 d . . . . .
O29 O 0.4455(5) 0.5990(7) 0.3839(8) 0.056(3) Uani 1 1 d . . . . .
O30 O 0.7391(5) 0.6212(9) 0.2186(7) 0.062(4) Uani 1 1 d . . . . .
O31 O 0.8577(7) 0.6518(11) 0.1969(9) 0.086(5) Uani 1 1 d . . . . .
O32 O 0.8473(9) 0.5343(10) 0.2019(11) 0.097(5) Uani 1 1 d . . . . .
O33 O 0.8594(8) 0.3395(8) 0.3371(8) 0.070(4) Uani 1 1 d . . . . .
O34 O 0.7654(8) 0.2835(11) 0.4556(12) 0.104(6) Uani 1 1 d . . . . .
O35 O 0.8775(12) 0.2699(10) 0.4695(9) 0.105(7) Uani 1 1 d . . . . .
O36 O 1.0275(6) 0.2827(9) 0.3324(10) 0.072(4) Uani 1 1 d . . . . .
O37 O 1.1294(6) 0.3347(7) 0.2211(7) 0.046(3) Uani 1 1 d . . . . .
O38 O 1.1400(6) 0.2654(6) 0.3533(8) 0.054(3) Uani 1 1 d . . . . .
O39 O 0.6107(7) 0.3618(12) 0.8934(9) 0.094(6) Uani 1 1 d . . . . .
O40 O 0.5697(10) 0.2807(10) 0.8597(10) 0.102(6) Uani 1 1 d . . . . .
O41 O 0.6022(6) 0.4042(7) 0.7627(7) 0.057(3) Uani 1 1 d . . . . .
S1 S 0.74771(18) 0.7763(2) 0.5283(3) 0.0404(9) Uani 1 1 d . . . . .
S2 S 0.69293(18) 0.7432(2) 0.3375(2) 0.0394(9) Uani 1 1 d . . . . .
S3 S 0.70194(19) 0.4755(2) 0.4184(3) 0.0405(9) Uani 1 1 d . U . . .
S4 S 0.74666(18) 0.2606(2) 0.6535(3) 0.0376(9) Uani 1 1 d . U . . .
S5 S 0.61264(16) 0.5699(2) 0.6031(2) 0.0345(8) Uani 1 1 d . . . . .
S6 S 0.73778(18) 0.5490(3) 0.7743(3) 0.0426(10) Uani 1 1 d . . . . .
S7 S 0.80050(18) 0.2938(2) 0.8441(2) 0.0401(9) Uani 1 1 d . . . . .
S8 S 0.96766(18) 0.4646(2) 0.8127(3) 0.0405(9) Uani 1 1 d . U . . .
S9 S 1.05418(17) 0.2547(2) 0.7637(2) 0.0346(8) Uani 1 1 d . . . . .
S10 S 0.99710(16) 0.2025(2) 0.5899(2) 0.0315(8) Uani 1 1 d . . . . .
S11 S 0.52706(19) 0.8026(3) 0.5298(3) 0.0461(10) Uani 1 1 d . . . . .
S12 S 0.8175(3) 0.9383(3) 0.3051(4) 0.0665(13) Uani 1 1 d . U . . .
S13 S 0.50566(17) 0.6375(2) 0.3741(2) 0.0383(9) Uani 1 1 d . . . . .
S14 S 0.8158(2) 0.6174(4) 0.1821(3) 0.0737(18) Uani 1 1 d . . . . .
S15 S 0.8472(3) 0.2787(3) 0.4142(4) 0.0721(16) Uani 1 1 d . . . . .
S16 S 1.1061(3) 0.2748(3) 0.2981(3) 0.0624(13) Uani 1 1 d . . . . .
S17 S 0.9009(3) 0.0778(3) 0.8244(3) 0.0620(12) Uani 1 1 d . U . . .
S18 S 0.7622(2) 0.4133(3) 0.9916(3) 0.0527(11) Uani 1 1 d . . . . .
S19 S 0.5746(2) 0.3558(3) 0.8446(3) 0.0487(11) Uani 1 1 d . . . . .
V1 V 0.90996(10) 0.47214(14) 0.44358(15) 0.0289(5) Uani 1 1 d . . . . .
V2 V 0.84306(11) 0.60147(15) 0.48384(16) 0.0333(6) Uani 1 1 d . . . . .
V3 V 0.83255(11) 0.44000(15) 0.61566(16) 0.0324(6) Uani 1 1 d . . . . .
V4 V 0.92679(11) 0.54895(14) 0.60606(15) 0.0291(5) Uani 1 1 d . . . . .
V5 V 0.99390(11) 0.41163(13) 0.57000(14) 0.0256(5) Uani 1 1 d . . . . .


_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 3.358(7) . ?
Ag1 O3 2.525(11) . ?
Ag1 S2 2.403(4) . ?
Ag1 S9 2.418(4) 2_766 ?
Ag1A Ag4 3.053(13) . ?
Ag1A Ag21 3.203(14) 2_766 ?
Ag1A O31 2.58(2) . ?
Ag1A S2 2.564(10) . ?
Ag1A S9 2.503(9) 2_766 ?
Ag2 Ag5 3.1094(17) . ?
Ag2 Ag6 3.007(2) . ?
Ag2 O22 2.382(13) . ?
Ag2 O26 2.496(10) . ?
Ag2 S1 2.568(4) . ?
Ag2 S2 2.520(4) . ?
Ag3 Ag7 3.341(2) . ?
Ag3 Ag18 2.9890(19) 2_766 ?
Ag3 Ag19 3.0462(19) 2_766 ?
Ag3 S1 2.445(4) . ?
Ag3 S10 2.445(3) 2_766 ?
Ag4 Ag5 3.0264(16) . ?
Ag4 Ag14 3.060(2) . ?
Ag4 O28 2.526(9) . ?
Ag4 O30 2.449(12) . ?
Ag4 S2 2.490(4) . ?
Ag4 S3 2.508(4) . ?
Ag5 Ag6 2.9857(16) . ?
Ag5 Ag14 3.0049(19) . ?
Ag5 O25 2.481(10) . ?
Ag5 O27 2.485(9) . ?
Ag5 S2 2.490(4) . ?
Ag5 S5 2.584(4) . ?
Ag6 Ag7 2.8829(15) . ?
Ag6 Ag8 3.0259(19) . ?
Ag6 O24 2.440(11) . ?
Ag6 S1 2.451(4) . ?
Ag6 S5 2.442(4) . ?
Ag7 Ag8 3.0433(18) . ?
Ag7 O2 2.499(9) . ?
Ag7 O38 2.537(11) 2_766 ?
Ag7 S1 2.511(5) . ?
Ag7 S6 2.475(5) . ?
Ag8 Ag11 3.0980(19) . ?
Ag8 S5 2.482(4) . ?
Ag8 S6 2.453(4) . ?
Ag9 Ag16 3.215(2) 2_766 ?
Ag9 O33 2.573(14) 2_766 ?
Ag9 O36 2.455(15) 2_766 ?
Ag9 S8 2.489(5) . ?
Ag10 Ag22 2.8683(17) . ?
Ag10 O18 2.488(14) . ?
Ag10 O37 2.445(11) 2_766 ?
Ag10 S6 2.528(3) . ?
Ag10 S8 2.550(4) . ?
Ag11 Ag22 2.8648(15) . ?
Ag11 O19 2.538(13) . ?
Ag11 O39 2.386(13) . ?
Ag11 S6 2.506(5) . ?
Ag11 S7 2.501(4) . ?
Ag12 Ag13 3.289(2) . ?
Ag12 O1W 2.38(2) . ?
Ag12 O17 2.489(13) . ?
Ag12 S4 2.519(4) . ?
Ag12 S7 2.520(4) . ?
Ag13 Ag14 3.352(2) . ?
Ag13 Ag15 2.9803(17) . ?
Ag13 O29 2.458(11) 2_666 ?
Ag13 O41 2.324(12) . ?
Ag13 S4 2.471(4) . ?
Ag14 Ag15 3.0392(18) . ?
Ag14 S3 2.384(4) . ?
Ag14 S5 2.392(4) . ?
Ag15 O13 2.483(8) . ?
Ag15 S3 2.451(4) . ?
Ag15 S4 2.469(5) . ?
Ag16 Ag9 3.215(2) 2_766 ?
Ag16 O5 2.359(9) . ?
Ag16 O32 2.21(2) . ?
Ag16 O33 2.378(15) . ?
Ag16 S3 2.456(4) . ?
Ag17 Ag18 3.2773(19) . ?
Ag17 S4 2.491(3) . ?
Ag17 S10 2.478(3) . ?
Ag18 Ag3 2.9890(19) 2_766 ?
Ag18 O1 2.565(10) 2_766 ?
Ag18 O6 2.586(8) . ?
Ag18 O35 2.60(2) . ?
Ag18 O36 2.369(15) . ?
Ag18 S10 2.514(4) . ?
Ag18 V4 3.221(3) 2_766 ?
Ag19 Ag3 3.0463(19) 2_766 ?
Ag19 Ag20 3.1116(16) . ?
Ag19 O15 2.409(16) . ?
Ag19 O23 2.515(13) 2_766 ?
Ag19 S9 2.492(4) . ?
Ag19 S10 2.475(4) . ?
Ag20 Ag21 3.1782(16) . ?
Ag20 Ag22 2.8775(17) . ?
Ag20 O12 2.503(10) . ?
Ag20 O17 2.543(13) . ?
Ag20 S7 2.519(4) . ?
Ag20 S9 2.510(3) . ?
Ag21 Ag1A 3.203(14) 2_766 ?
Ag21 Ag22 2.9063(15) . ?
Ag21 O8 2.508(10) . ?
Ag21 S8 2.470(4) . ?
Ag21 S9 2.471(4) . ?
Ag22 S7 2.482(4) . ?
Ag22 S8 2.489(4) . ?
C1 C2 1.47(3) . ?
C1 S5 1.826(15) . ?
C3 C4 1.543(10) . ?
C3A C4 1.550(10) . ?
C4 S2 1.83(2) . ?
C5 C6 1.552(10) . ?
C5A C6 1.537(10) . ?
C6 S3 1.826(15) . ?
C7 C8 1.38(3) . ?
C7 S4 1.831(17) . ?
C9 C10 1.51(2) . ?
C9 S7 1.820(19) . ?
C11 C12 1.50(3) . ?
C11 S9 1.805(19) . ?
C14 C13 1.3900 . ?
C14 C15 1.3900 . ?
C13 C18 1.3900 . ?
C13 S17 1.75(3) . ?
C18 C17 1.3900 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C19 C20 1.40(4) . ?
C19 C24 1.41(4) . ?
C19 S18 1.79(3) . ?
C20 C21 1.35(3) . ?
C21 C22 1.37(4) . ?
C22 C23 1.27(4) . ?
C23 C24 1.46(3) . ?
C25 C26 1.50(3) . ?
C26 S8 1.85(2) . ?
C27 C28 1.49(3) . ?
C28 S6 1.852(16) . ?
C29 C30 1.48(2) . ?
C29 S10 1.845(14) . ?
C31 C32 1.536(10) . ?
C32 S1 1.86(2) . ?
C33 C34 1.33(3) . ?
C33 C38 1.40(2) . ?
C33 S11 1.784(16) . ?
C34 C35 1.34(2) . ?
C35 C36 1.35(3) . ?
C36 C37 1.37(3) . ?
C37 C38 1.34(2) . ?
C39 C40 1.36(4) . ?
C39 C44 1.40(4) . ?
C39 S12 1.76(3) . ?
C40 C41 1.31(4) . ?
C41 C42 1.35(4) . ?
C42 C43 1.30(4) . ?
C43 C44 1.43(4) . ?
C45 C46 1.43(4) . ?
C45 C50 1.44(4) . ?
C45 S14 1.76(3) . ?
C46 C47 1.33(4) . ?
C47 C48 1.42(4) . ?
C48 C49 1.42(4) . ?
C49 C50 1.40(4) . ?
C51 C52 1.39(3) . ?
C51 C56 1.38(2) . ?
C51 S13 1.770(19) . ?
C52 C53 1.39(3) . ?
C53 C54 1.40(3) . ?
C54 C55 1.33(3) . ?
C55 C56 1.37(3) . ?
C57 C58 1.37(3) . ?
C57 C62 1.37(3) . ?
C57 S15 1.741(19) . ?
C58 C59 1.37(3) . ?
C59 C60 1.38(3) . ?
C60 C61 1.36(3) . ?
C61 C62 1.40(3) . ?
C63 C64 1.35(3) . ?
C63 C67 1.38(3) . ?
C63 S16 1.743(15) . ?
C64 C65 1.30(3) . ?
C65 C66 1.36(3) . ?
C66 C68 1.31(3) . ?
C67 C68 1.40(3) . ?
C69 C70 1.36(3) . ?
C69 C74 1.45(3) . ?
C69 S19 1.78(2) . ?
C70 C71 1.43(3) . ?
C71 C72 1.39(3) . ?
C72 C73 1.42(3) . ?
C73 C74 1.38(3) . ?
O1 Ag18 2.565(10) 2_766 ?
O1 V4 1.605(10) . ?
O2 V2 1.888(10) . ?
O2 V4 1.807(9) . ?
O3 V2 1.602(10) . ?
O4 V1 1.808(10) . ?
O4 V2 1.857(9) . ?
O5 V1 1.614(10) . ?
O6 V1 1.989(9) . ?
O6 V4 2.014(9) 2_766 ?
O6 V5 1.899(9) . ?
O7 V2 2.061(10) 2_766 ?
O7 V5 1.676(9) . ?
O8 V1 2.010(8) 2_766 ?
O8 V4 2.001(9) . ?
O8 V5 1.916(8) . ?
O9 V3 1.841(9) . ?
O9 V4 1.803(10) . ?
O10 V2 1.820(11) . ?
O10 V3 1.835(11) . ?
O11 V3 1.611(10) . ?
O12 V3 2.051(9) . ?
O12 V5 1.711(9) . ?
O13 V1 1.819(9) . ?
O13 V3 1.899(9) . ?
O14 V1 2.219(9) 2_766 ?
O14 V2 2.293(9) 2_766 ?
O14 V3 2.311(9) 2_766 ?
O14 V4 2.214(9) 2_766 ?
O14 V5 2.133(9) . ?
O14 V5 2.131(9) 2_766 ?
O15 S17 1.458(15) . ?
O16 S17 1.395(18) . ?
O17 S17 1.445(14) . ?
O18 S18 1.435(14) . ?
O19 S18 1.457(12) . ?
O20 S18 1.437(14) . ?
O21 S12 1.494(16) . ?
O22 S12 1.471(13) . ?
O23 Ag19 2.515(13) 2_766 ?
O23 S12 1.348(15) . ?
O24 S11 1.460(13) . ?
O25 S11 1.450(11) . ?
O26 S11 1.452(14) . ?
O27 S13 1.438(11) . ?
O28 S13 1.450(10) . ?
O29 Ag13 2.458(11) 2_666 ?
O29 S13 1.463(10) . ?
O30 S14 1.472(11) . ?
O31 S14 1.369(15) . ?
O32 S14 1.580(17) . ?
O33 Ag9 2.573(14) 2_766 ?
O33 S15 1.423(15) . ?
O34 S15 1.581(16) . ?
O35 S15 1.373(17) . ?
O36 Ag9 2.455(15) 2_766 ?
O36 S16 1.506(13) . ?
O37 Ag10 2.445(11) 2_766 ?
O37 S16 1.426(13) . ?
O38 Ag7 2.537(11) 2_766 ?
O38 S16 1.414(12) . ?
O39 S19 1.466(14) . ?
O40 S19 1.416(19) . ?
O41 S19 1.434(13) . ?
S9 Ag1 2.418(4) 2_766 ?
S9 Ag1A 2.503(9) 2_766 ?
S10 Ag3 2.445(3) 2_766 ?
V1 O8 2.010(8) 2_766 ?
V1 O14 2.219(9) 2_766 ?
V1 V2 3.062(3) . ?
V1 V3 3.118(4) . ?
V1 V4 3.090(3) 2_766 ?
V2 O7 2.061(10) 2_766 ?
V2 O14 2.293(9) 2_766 ?
V2 V3 3.049(4) . ?
V2 V4 3.102(3) . ?
V2 V5 3.078(3) 2_766 ?
V3 O14 2.311(9) 2_766 ?
V3 V4 3.062(3) . ?
V3 V5 3.069(3) . ?
V4 Ag18 3.221(3) 2_766 ?
V4 O6 2.014(9) 2_766 ?
V4 O14 2.214(9) 2_766 ?
V4 V1 3.090(3) 2_766 ?
V5 O14 2.131(9) 2_766 ?
V5 V2 3.078(3) 2_766 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Ag1 Ag2 57.3(3) . . ?
S2 Ag1 Ag2 48.47(14) . . ?
S2 Ag1 O3 79.0(2) . . ?
S2 Ag1 S9 165.8(2) . 2_766 ?
S9 Ag1 Ag2 141.2(3) 2_766 . ?
S9 Ag1 O3 114.7(2) 2_766 . ?
Ag4 Ag1A Ag21 115.8(8) . 2_766 ?
O31 Ag1A Ag4 80.5(6) . . ?
O31 Ag1A Ag21 52.8(4) . 2_766 ?
S2 Ag1A Ag4 51.74(17) . . ?
S2 Ag1A Ag21 167.0(8) . 2_766 ?
S2 Ag1A O31 116.7(4) . . ?
S9 Ag1A Ag4 162.0(7) 2_766 . ?
S9 Ag1A Ag21 49.5(2) 2_766 2_766 ?
S9 Ag1A O31 81.6(4) 2_766 . ?
S9 Ag1A S2 141.6(10) 2_766 . ?
Ag5 Ag2 Ag1 86.51(12) . . ?
Ag6 Ag2 Ag1 111.04(9) . . ?
Ag6 Ag2 Ag5 58.41(4) . . ?
O22 Ag2 Ag1 93.3(3) . . ?
O22 Ag2 Ag5 156.6(3) . . ?
O22 Ag2 Ag6 141.3(4) . . ?
O22 Ag2 O26 91.7(4) . . ?
O22 Ag2 S1 94.3(4) . . ?
O22 Ag2 S2 114.4(4) . . ?
O26 Ag2 Ag1 152.3(3) . . ?
O26 Ag2 Ag5 78.4(3) . . ?
O26 Ag2 Ag6 80.5(3) . . ?
O26 Ag2 S1 101.7(3) . . ?
O26 Ag2 S2 108.2(3) . . ?
S1 Ag2 Ag1 105.02(10) . . ?
S1 Ag2 Ag5 108.36(11) . . ?
S1 Ag2 Ag6 51.42(10) . . ?
S2 Ag2 Ag1 45.56(13) . . ?
S2 Ag2 Ag5 51.22(10) . . ?
S2 Ag2 Ag6 103.97(11) . . ?
S2 Ag2 S1 137.12(14) . . ?
Ag18 Ag3 Ag7 83.90(5) 2_766 . ?
Ag18 Ag3 Ag19 101.79(5) 2_766 2_766 ?
Ag19 Ag3 Ag7 152.03(5) 2_766 . ?
S1 Ag3 Ag7 48.47(11) . . ?
S1 Ag3 Ag18 129.28(12) . 2_766 ?
S1 Ag3 Ag19 128.20(11) . 2_766 ?
S10 Ag3 Ag7 137.58(11) 2_766 . ?
S10 Ag3 Ag18 54.00(10) 2_766 2_766 ?
S10 Ag3 Ag19 52.18(9) 2_766 2_766 ?
S10 Ag3 S1 169.30(14) 2_766 . ?
Ag1A Ag4 Ag14 110.51(15) . . ?
Ag5 Ag4 Ag1A 94.1(3) . . ?
Ag5 Ag4 Ag14 59.17(4) . . ?
O28 Ag4 Ag1A 146.6(4) . . ?
O28 Ag4 Ag5 86.0(2) . . ?
O28 Ag4 Ag14 98.2(3) . . ?
O30 Ag4 Ag1A 82.8(3) . . ?
O30 Ag4 Ag5 157.3(4) . . ?
O30 Ag4 Ag14 142.8(4) . . ?
O30 Ag4 O28 84.4(3) . . ?
O30 Ag4 S2 109.9(4) . . ?
O30 Ag4 S3 93.3(4) . . ?
S2 Ag4 Ag1A 53.9(4) . . ?
S2 Ag4 Ag5 52.58(10) . . ?
S2 Ag4 Ag14 105.70(11) . . ?
S2 Ag4 O28 102.8(3) . . ?
S2 Ag4 S3 149.95(14) . . ?
S3 Ag4 Ag1A 113.3(4) . . ?
S3 Ag4 Ag5 108.45(11) . . ?
S3 Ag4 Ag14 49.50(10) . . ?
S3 Ag4 O28 98.1(3) . . ?
Ag4 Ag5 Ag2 101.22(5) . . ?
Ag6 Ag5 Ag2 59.09(4) . . ?
Ag6 Ag5 Ag4 129.13(5) . . ?
Ag6 Ag5 Ag14 94.06(5) . . ?
Ag14 Ag5 Ag2 129.15(5) . . ?
Ag14 Ag5 Ag4 60.97(4) . . ?
O25 Ag5 Ag2 84.8(3) . . ?
O25 Ag5 Ag4 155.6(3) . . ?
O25 Ag5 Ag6 74.3(2) . . ?
O25 Ag5 Ag14 132.0(3) . . ?
O25 Ag5 O27 87.2(3) . . ?
O25 Ag5 S2 120.7(3) . . ?
O25 Ag5 S5 91.0(3) . . ?
O27 Ag5 Ag2 150.3(3) . . ?
O27 Ag5 Ag4 75.9(2) . . ?
O27 Ag5 Ag6 144.4(3) . . ?
O27 Ag5 Ag14 75.9(3) . . ?
O27 Ag5 S2 110.2(3) . . ?
O27 Ag5 S5 100.1(3) . . ?
S2 Ag5 Ag2 52.07(9) . . ?
S2 Ag5 Ag4 52.58(10) . . ?
S2 Ag5 Ag6 105.35(9) . . ?
S2 Ag5 Ag14 107.31(10) . . ?
S2 Ag5 S5 136.03(12) . . ?
S5 Ag5 Ag2 108.54(9) . . ?
S5 Ag5 Ag4 108.96(9) . . ?
S5 Ag5 Ag6 51.40(8) . . ?
S5 Ag5 Ag14 49.99(9) . . ?
Ag2 Ag6 Ag8 142.99(5) . . ?
Ag5 Ag6 Ag2 62.51(4) . . ?
Ag5 Ag6 Ag8 104.97(5) . . ?
Ag7 Ag6 Ag2 106.71(5) . . ?
Ag7 Ag6 Ag5 144.56(5) . . ?
Ag7 Ag6 Ag8 61.95(4) . . ?
O24 Ag6 Ag2 84.2(3) . . ?
O24 Ag6 Ag5 91.0(3) . . ?
O24 Ag6 Ag7 122.7(3) . . ?
O24 Ag6 Ag8 132.4(3) . . ?
O24 Ag6 S1 95.9(3) . . ?
O24 Ag6 S5 110.9(3) . . ?
S1 Ag6 Ag2 54.99(10) . . ?
S1 Ag6 Ag5 115.80(11) . . ?
S1 Ag6 Ag7 55.47(10) . . ?
S1 Ag6 Ag8 115.31(10) . . ?
S5 Ag6 Ag2 116.02(10) . . ?
S5 Ag6 Ag5 55.77(10) . . ?
S5 Ag6 Ag7 113.14(10) . . ?
S5 Ag6 Ag8 52.68(9) . . ?
S5 Ag6 S1 151.32(13) . . ?
Ag6 Ag7 Ag3 92.82(5) . . ?
Ag6 Ag7 Ag8 61.34(4) . . ?
Ag8 Ag7 Ag3 130.42(5) . . ?
O2 Ag7 Ag3 53.5(2) . . ?
O2 Ag7 Ag6 100.9(2) . . ?
O2 Ag7 Ag8 88.5(2) . . ?
O2 Ag7 O38 90.7(4) . 2_766 ?
O2 Ag7 S1 89.0(2) . . ?
O38 Ag7 Ag3 63.5(3) 2_766 . ?
O38 Ag7 Ag6 139.6(3) 2_766 . ?
O38 Ag7 Ag8 158.5(3) 2_766 . ?
S1 Ag7 Ag3 46.78(9) . . ?
S1 Ag7 Ag6 53.51(9) . . ?
S1 Ag7 Ag8 112.84(9) . . ?
S1 Ag7 O38 88.6(3) . 2_766 ?
S6 Ag7 Ag3 158.97(9) . . ?
S6 Ag7 Ag6 103.30(9) . . ?
S6 Ag7 Ag8 51.52(9) . . ?
S6 Ag7 O2 109.3(2) . . ?
S6 Ag7 O38 109.1(3) . 2_766 ?
S6 Ag7 S1 153.80(12) . . ?
Ag6 Ag8 Ag7 56.72(4) . . ?
Ag6 Ag8 Ag11 150.67(5) . . ?
Ag7 Ag8 Ag11 101.36(4) . . ?
S5 Ag8 Ag6 51.49(10) . . ?
S5 Ag8 Ag7 106.87(10) . . ?
S5 Ag8 Ag11 150.37(11) . . ?
S6 Ag8 Ag6 99.89(12) . . ?
S6 Ag8 Ag7 52.19(12) . . ?
S6 Ag8 Ag11 52.11(11) . . ?
S6 Ag8 S5 148.05(14) . . ?
O33 Ag9 Ag16 46.9(3) 2_766 2_766 ?
O36 Ag9 Ag16 123.9(3) 2_766 2_766 ?
O36 Ag9 O33 82.6(5) 2_766 2_766 ?
O36 Ag9 S8 130.9(3) 2_766 . ?
S8 Ag9 Ag16 101.29(10) . 2_766 ?
S8 Ag9 O33 146.4(4) . 2_766 ?
O18 Ag10 Ag22 97.7(3) . . ?
O18 Ag10 S6 95.5(3) . . ?
O18 Ag10 S8 104.8(3) . . ?
O37 Ag10 Ag22 156.1(3) 2_766 . ?
O37 Ag10 O18 101.1(4) 2_766 . ?
O37 Ag10 S6 104.0(3) 2_766 . ?
O37 Ag10 S8 106.0(3) 2_766 . ?
S6 Ag10 Ag22 88.74(10) . . ?
S6 Ag10 S8 139.38(12) . . ?
S8 Ag10 Ag22 54.32(9) . . ?
Ag22 Ag11 Ag8 109.24(6) . . ?
O19 Ag11 Ag8 130.5(3) . . ?
O19 Ag11 Ag22 97.9(3) . . ?
O39 Ag11 Ag8 88.2(4) . . ?
O39 Ag11 Ag22 153.9(5) . . ?
O39 Ag11 O19 84.0(4) . . ?
O39 Ag11 S6 116.8(5) . . ?
O39 Ag11 S7 100.5(5) . . ?
S6 Ag11 Ag8 50.57(9) . . ?
S6 Ag11 Ag22 89.24(9) . . ?
S6 Ag11 O19 90.7(4) . . ?
S7 Ag11 Ag8 117.07(11) . . ?
S7 Ag11 Ag22 54.61(9) . . ?
S7 Ag11 O19 112.4(4) . . ?
S7 Ag11 S6 138.16(14) . . ?
O1W Ag12 Ag13 88.0(6) . . ?
O1W Ag12 O17 107.9(7) . . ?
O1W Ag12 S4 103.7(6) . . ?
O1W Ag12 S7 110.6(6) . . ?
O17 Ag12 Ag13 154.3(4) . . ?
O17 Ag12 S4 107.2(4) . . ?
O17 Ag12 S7 82.9(3) . . ?
S4 Ag12 Ag13 48.14(9) . . ?
S4 Ag12 S7 139.22(15) . . ?
S7 Ag12 Ag13 110.99(11) . . ?
Ag12 Ag13 Ag14 139.27(6) . . ?
Ag15 Ag13 Ag12 96.62(5) . . ?
Ag15 Ag13 Ag14 57.01(4) . . ?
O29 Ag13 Ag12 167.0(3) 2_666 . ?
O29 Ag13 Ag14 51.1(3) 2_666 . ?
O29 Ag13 Ag15 84.3(3) 2_666 . ?
O29 Ag13 S4 124.6(3) 2_666 . ?
O41 Ag13 Ag12 94.8(3) . . ?
O41 Ag13 Ag14 91.5(3) . . ?
O41 Ag13 Ag15 141.3(3) . . ?
O41 Ag13 O29 92.5(4) . 2_666 ?
O41 Ag13 S4 142.8(3) . . ?
S4 Ag13 Ag12 49.41(10) . . ?
S4 Ag13 Ag14 109.37(11) . . ?
S4 Ag13 Ag15 52.86(11) . . ?
Ag4 Ag14 Ag13 156.57(6) . . ?
Ag5 Ag14 Ag4 59.86(4) . . ?
Ag5 Ag14 Ag13 143.07(6) . . ?
Ag5 Ag14 Ag15 156.67(7) . . ?
Ag15 Ag14 Ag4 101.33(5) . . ?
Ag15 Ag14 Ag13 55.33(4) . . ?
S3 Ag14 Ag4 53.11(11) . . ?
S3 Ag14 Ag5 112.74(12) . . ?
S3 Ag14 Ag13 104.18(12) . . ?
S3 Ag14 Ag15 52.05(11) . . ?
S3 Ag14 S5 163.95(16) . . ?
S5 Ag14 Ag4 113.47(12) . . ?
S5 Ag14 Ag5 55.82(10) . . ?
S5 Ag14 Ag13 87.81(11) . . ?
S5 Ag14 Ag15 133.80(11) . . ?
Ag13 Ag15 Ag14 67.66(5) . . ?
O13 Ag15 Ag13 97.5(2) . . ?
O13 Ag15 Ag14 94.7(2) . . ?
S3 Ag15 Ag13 114.00(10) . . ?
S3 Ag15 Ag14 50.08(10) . . ?
S3 Ag15 O13 106.2(2) . . ?
S3 Ag15 S4 164.07(13) . . ?
S4 Ag15 Ag13 52.92(9) . . ?
S4 Ag15 Ag14 119.99(10) . . ?
S4 Ag15 O13 86.0(2) . . ?
O5 Ag16 Ag9 53.4(2) . 2_766 ?
O5 Ag16 O33 81.7(4) . . ?
O5 Ag16 S3 108.5(3) . . ?
O32 Ag16 Ag9 73.8(4) . 2_766 ?
O32 Ag16 O5 109.1(5) . . ?
O32 Ag16 O33 101.9(5) . . ?
O32 Ag16 S3 124.7(4) . . ?
O33 Ag16 Ag9 52.2(3) . 2_766 ?
O33 Ag16 S3 122.5(4) . . ?
S3 Ag16 Ag9 159.79(12) . 2_766 ?
S4 Ag17 Ag18 140.39(11) . . ?
S10 Ag17 Ag18 49.44(10) . . ?
S10 Ag17 S4 150.05(13) . . ?
Ag3 Ag18 Ag17 96.28(5) 2_766 . ?
Ag3 Ag18 V4 83.96(6) 2_766 2_766 ?
O1 Ag18 Ag3 99.8(2) 2_766 2_766 ?
O1 Ag18 Ag17 127.0(2) 2_766 . ?
O1 Ag18 O6 63.5(3) 2_766 . ?
O1 Ag18 O35 119.6(4) 2_766 . ?
O1 Ag18 V4 29.5(2) 2_766 2_766 ?
O6 Ag18 Ag3 90.67(19) . 2_766 ?
O6 Ag18 Ag17 66.2(2) . . ?
O6 Ag18 O35 99.3(4) . . ?
O6 Ag18 V4 38.7(2) . 2_766 ?
O35 Ag18 Ag3 139.8(4) . 2_766 ?
O35 Ag18 Ag17 54.5(3) . . ?
O35 Ag18 V4 126.6(4) . 2_766 ?
O36 Ag18 Ag3 115.8(3) . 2_766 ?
O36 Ag18 Ag17 137.3(3) . . ?
O36 Ag18 O1 76.6(4) . 2_766 ?
O36 Ag18 O6 135.5(4) . . ?
O36 Ag18 O35 83.3(4) . . ?
O36 Ag18 S10 136.3(4) . . ?
O36 Ag18 V4 105.9(4) . 2_766 ?
S10 Ag18 Ag3 51.87(8) . 2_766 ?
S10 Ag18 Ag17 48.50(8) . . ?
S10 Ag18 O1 141.1(2) . 2_766 ?
S10 Ag18 O6 88.1(2) . . ?
S10 Ag18 O35 89.4(3) . . ?
S10 Ag18 V4 112.74(9) . 2_766 ?
V4 Ag18 Ag17 104.80(6) 2_766 . ?
Ag3 Ag19 Ag20 130.92(6) 2_766 . ?
O15 Ag19 Ag3 136.7(4) . 2_766 ?
O15 Ag19 Ag20 82.4(4) . . ?
O15 Ag19 O23 84.9(5) . 2_766 ?
O15 Ag19 S9 100.5(5) . . ?
O15 Ag19 S10 103.1(4) . . ?
O23 Ag19 Ag3 85.7(4) 2_766 2_766 ?
O23 Ag19 Ag20 134.9(4) 2_766 . ?
S9 Ag19 Ag3 121.47(10) . 2_766 ?
S9 Ag19 Ag20 51.79(8) . . ?
S9 Ag19 O23 88.9(4) . 2_766 ?
S10 Ag19 Ag3 51.30(9) . 2_766 ?
S10 Ag19 Ag20 100.22(9) . . ?
S10 Ag19 O23 124.8(4) . 2_766 ?
S10 Ag19 S9 140.04(13) . . ?
Ag19 Ag20 Ag21 94.86(4) . . ?
Ag22 Ag20 Ag19 151.95(5) . . ?
Ag22 Ag20 Ag21 57.10(4) . . ?
O12 Ag20 Ag19 88.03(19) . . ?
O12 Ag20 Ag21 85.93(19) . . ?
O12 Ag20 Ag22 89.02(19) . . ?
O12 Ag20 O17 104.9(4) . . ?
O12 Ag20 S7 98.4(2) . . ?
O12 Ag20 S9 105.6(2) . . ?
O17 Ag20 Ag19 71.8(3) . . ?
O17 Ag20 Ag21 162.1(3) . . ?
O17 Ag20 Ag22 135.7(3) . . ?
S7 Ag20 Ag19 153.58(10) . . ?
S7 Ag20 Ag21 111.08(10) . . ?
S7 Ag20 Ag22 54.28(9) . . ?
S7 Ag20 O17 81.8(3) . . ?
S9 Ag20 Ag19 51.27(8) . . ?
S9 Ag20 Ag21 49.82(9) . . ?
S9 Ag20 Ag22 103.13(9) . . ?
S9 Ag20 O17 112.7(3) . . ?
S9 Ag20 S7 146.91(13) . . ?
Ag20 Ag21 Ag1A 98.7(4) . 2_766 ?
Ag22 Ag21 Ag1A 153.6(4) . 2_766 ?
Ag22 Ag21 Ag20 56.23(4) . . ?
O8 Ag21 Ag1A 101.9(2) . 2_766 ?
O8 Ag21 Ag20 83.90(19) . . ?
O8 Ag21 Ag22 84.57(19) . . ?
S8 Ag21 Ag1A 147.0(3) . 2_766 ?
S8 Ag21 Ag20 110.19(10) . . ?
S8 Ag21 Ag22 54.43(9) . . ?
S8 Ag21 O8 96.9(2) . . ?
S8 Ag21 S9 145.67(15) . . ?
S9 Ag21 Ag1A 50.3(4) . 2_766 ?
S9 Ag21 Ag20 50.89(8) . . ?
S9 Ag21 Ag22 103.30(9) . . ?
S9 Ag21 O8 107.4(2) . . ?
Ag10 Ag22 Ag20 164.20(7) . . ?
Ag10 Ag22 Ag21 105.60(5) . . ?
Ag11 Ag22 Ag10 76.99(4) . . ?
Ag11 Ag22 Ag20 107.27(5) . . ?
Ag11 Ag22 Ag21 166.20(7) . . ?
Ag20 Ag22 Ag21 66.66(4) . . ?
S7 Ag22 Ag10 132.02(10) . . ?
S7 Ag22 Ag11 55.21(9) . . ?
S7 Ag22 Ag20 55.48(9) . . ?
S7 Ag22 Ag21 121.77(10) . . ?
S7 Ag22 S8 166.49(15) . . ?
S8 Ag22 Ag10 56.30(9) . . ?
S8 Ag22 Ag11 132.57(10) . . ?
S8 Ag22 Ag20 119.91(10) . . ?
S8 Ag22 Ag21 53.81(9) . . ?
C2 C1 S5 112.4(13) . . ?
C3 C4 S2 113.6(18) . . ?
C3A C4 S2 116(3) . . ?
C5 C6 S3 109.0(18) . . ?
C5A C6 S3 110.8(14) . . ?
C8 C7 S4 114.0(16) . . ?
C10 C9 S7 113.3(15) . . ?
C12 C11 S9 115.6(14) . . ?
C13 C14 C15 120.0 . . ?
C14 C13 S17 109(2) . . ?
C18 C13 C14 120.0 . . ?
C18 C13 S17 131(2) . . ?
C13 C18 C17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C20 C19 C24 120(3) . . ?
C20 C19 S18 120(2) . . ?
C24 C19 S18 118(2) . . ?
C21 C20 C19 117(3) . . ?
C20 C21 C22 123(3) . . ?
C23 C22 C21 121(3) . . ?
C22 C23 C24 122(3) . . ?
C19 C24 C23 116(3) . . ?
C25 C26 S8 109.5(19) . . ?
C27 C28 S6 111.2(15) . . ?
C30 C29 S10 112.5(12) . . ?
C31 C32 S1 114(2) . . ?
C34 C33 C38 120.9(16) . . ?
C34 C33 S11 119.8(13) . . ?
C38 C33 S11 119.3(13) . . ?
C33 C34 C35 120.3(18) . . ?
C34 C35 C36 121(2) . . ?
C35 C36 C37 119.1(17) . . ?
C38 C37 C36 121.4(18) . . ?
C37 C38 C33 117.4(18) . . ?
C40 C39 C44 119(3) . . ?
C40 C39 S12 120(2) . . ?
C44 C39 S12 121(3) . . ?
C41 C40 C39 124(3) . . ?
C40 C41 C42 119(3) . . ?
C43 C42 C41 121(3) . . ?
C42 C43 C44 123(3) . . ?
C39 C44 C43 115(3) . . ?
C46 C45 C50 127(3) . . ?
C46 C45 S14 117(3) . . ?
C50 C45 S14 116(2) . . ?
C47 C46 C45 117(3) . . ?
C46 C47 C48 117(3) . . ?
C49 C48 C47 129(3) . . ?
C50 C49 C48 114(3) . . ?
C49 C50 C45 116(3) . . ?
C52 C51 S13 119.4(14) . . ?
C56 C51 C52 119.3(18) . . ?
C56 C51 S13 121.3(14) . . ?
C53 C52 C51 117.7(19) . . ?
C52 C53 C54 122(2) . . ?
C55 C54 C53 119(2) . . ?
C54 C55 C56 121(2) . . ?
C55 C56 C51 121.3(18) . . ?
C58 C57 C62 122(2) . . ?
C58 C57 S15 120.6(18) . . ?
C62 C57 S15 117.1(17) . . ?
C57 C58 C59 119(2) . . ?
C58 C59 C60 120(2) . . ?
C61 C60 C59 120(2) . . ?
C60 C61 C62 121(2) . . ?
C57 C62 C61 117(2) . . ?
C64 C63 C67 116.4(16) . . ?
C64 C63 S16 126.2(15) . . ?
C67 C63 S16 117.3(14) . . ?
C65 C64 C63 122.4(19) . . ?
C64 C65 C66 122(2) . . ?
C68 C66 C65 119.6(19) . . ?
C63 C67 C68 120.4(19) . . ?
C66 C68 C67 119(2) . . ?
C70 C69 C74 123(2) . . ?
C70 C69 S19 117.4(17) . . ?
C74 C69 S19 119.0(15) . . ?
C69 C70 C71 117(2) . . ?
C72 C71 C70 123(2) . . ?
C71 C72 C73 116(2) . . ?
C74 C73 C72 124(2) . . ?
C73 C74 C69 116(2) . . ?
V4 O1 Ag18 98.6(5) . 2_766 ?
V2 O2 Ag7 118.4(4) . . ?
V4 O2 Ag7 110.4(5) . . ?
V4 O2 V2 114.2(5) . . ?
V2 O3 Ag1 114.0(5) . . ?
V1 O4 V2 113.3(5) . . ?
V1 O5 Ag16 128.5(5) . . ?
V1 O6 Ag18 110.0(3) . . ?
V1 O6 V4 101.1(4) . 2_766 ?
V4 O6 Ag18 88.0(3) 2_766 . ?
V5 O6 Ag18 134.4(5) . . ?
V5 O6 V1 108.4(4) . . ?
V5 O6 V4 107.7(4) . 2_766 ?
V5 O7 V2 110.5(5) . 2_766 ?
V1 O8 Ag21 101.7(3) 2_766 . ?
V4 O8 Ag21 123.1(4) . . ?
V4 O8 V1 100.8(4) . 2_766 ?
V5 O8 Ag21 113.8(4) . . ?
V5 O8 V1 107.7(4) . 2_766 ?
V5 O8 V4 107.7(4) . . ?
V4 O9 V3 114.3(5) . . ?
V2 O10 V3 113.0(4) . . ?
V3 O12 Ag20 121.5(4) . . ?
V5 O12 Ag20 117.1(4) . . ?
V5 O12 V3 109.0(5) . . ?
V1 O13 Ag15 119.2(4) . . ?
V1 O13 V3 114.0(4) . . ?
V3 O13 Ag15 118.0(4) . . ?
V1 O14 V2 85.4(3) 2_766 2_766 ?
V1 O14 V3 86.9(3) 2_766 2_766 ?
V2 O14 V3 82.9(3) 2_766 2_766 ?
V4 O14 V1 169.6(4) 2_766 2_766 ?
V4 O14 V2 87.0(3) 2_766 2_766 ?
V4 O14 V3 85.1(3) 2_766 2_766 ?
V5 O14 V1 92.9(3) 2_766 2_766 ?
V5 O14 V1 93.5(4) . 2_766 ?
V5 O14 V2 88.0(3) . 2_766 ?
V5 O14 V2 170.1(5) 2_766 2_766 ?
V5 O14 V3 170.9(4) . 2_766 ?
V5 O14 V3 87.3(3) 2_766 2_766 ?
V5 O14 V4 93.3(3) . 2_766 ?
V5 O14 V4 93.4(4) 2_766 2_766 ?
V5 O14 V5 101.8(3) 2_766 . ?
S17 O15 Ag19 118.7(9) . . ?
Ag12 O17 Ag20 86.6(4) . . ?
S17 O17 Ag12 143.5(8) . . ?
S17 O17 Ag20 129.3(7) . . ?
S18 O18 Ag10 110.9(7) . . ?
S18 O19 Ag11 110.3(7) . . ?
S12 O22 Ag2 116.8(7) . . ?
S12 O23 Ag19 118.5(9) . 2_766 ?
S11 O24 Ag6 107.6(6) . . ?
S11 O25 Ag5 117.0(5) . . ?
S11 O26 Ag2 117.1(7) . . ?
S13 O27 Ag5 125.0(6) . . ?
S13 O28 Ag4 119.2(6) . . ?
S13 O29 Ag13 126.4(8) . 2_666 ?
S14 O30 Ag4 124.1(7) . . ?
S14 O31 Ag1A 127.5(9) . . ?
S14 O32 Ag16 110.6(9) . . ?
Ag16 O33 Ag9 80.9(4) . 2_766 ?
S15 O33 Ag9 121.1(9) . 2_766 ?
S15 O33 Ag16 114.9(7) . . ?
S15 O35 Ag18 127.1(11) . . ?
Ag18 O36 Ag9 91.7(5) . 2_766 ?
S16 O36 Ag9 114.4(9) . 2_766 ?
S16 O36 Ag18 108.9(7) . . ?
S16 O37 Ag10 127.5(6) . 2_766 ?
S16 O38 Ag7 135.2(8) . 2_766 ?
S19 O39 Ag11 123.3(8) . . ?
S19 O41 Ag13 116.0(7) . . ?
Ag3 S1 Ag2 104.08(16) . . ?
Ag3 S1 Ag6 134.75(16) . . ?
Ag3 S1 Ag7 84.75(12) . . ?
Ag6 S1 Ag2 73.59(10) . . ?
Ag6 S1 Ag7 71.02(13) . . ?
Ag7 S1 Ag2 137.04(16) . . ?
C32 S1 Ag2 104.8(9) . . ?
C32 S1 Ag3 117.2(9) . . ?
C32 S1 Ag6 106.6(9) . . ?
C32 S1 Ag7 108.0(10) . . ?
Ag1 S2 Ag2 86.0(2) . . ?
Ag1 S2 Ag4 93.8(2) . . ?
Ag1 S2 Ag5 129.99(18) . . ?
Ag2 S2 Ag1A 102.2(4) . . ?
Ag4 S2 Ag1A 74.3(5) . . ?
Ag4 S2 Ag2 142.36(19) . . ?
Ag4 S2 Ag5 74.84(12) . . ?
Ag5 S2 Ag1A 123.4(4) . . ?
Ag5 S2 Ag2 76.72(12) . . ?
C4 S2 Ag1 111.7(6) . . ?
C4 S2 Ag1A 116.0(7) . . ?
C4 S2 Ag2 107.0(7) . . ?
C4 S2 Ag4 107.9(7) . . ?
C4 S2 Ag5 118.1(6) . . ?
Ag14 S3 Ag4 77.39(12) . . ?
Ag14 S3 Ag15 77.88(14) . . ?
Ag14 S3 Ag16 146.28(16) . . ?
Ag15 S3 Ag4 144.10(16) . . ?
Ag15 S3 Ag16 88.25(13) . . ?
Ag16 S3 Ag4 98.26(16) . . ?
C6 S3 Ag4 104.4(6) . . ?
C6 S3 Ag14 108.7(6) . . ?
C6 S3 Ag15 108.0(6) . . ?
C6 S3 Ag16 104.7(6) . . ?
Ag13 S4 Ag12 82.45(13) . . ?
Ag13 S4 Ag17 135.44(15) . . ?
Ag15 S4 Ag12 139.93(16) . . ?
Ag15 S4 Ag13 74.22(11) . . ?
Ag15 S4 Ag17 87.77(14) . . ?
Ag17 S4 Ag12 86.56(12) . . ?
C7 S4 Ag12 113.3(8) . . ?
C7 S4 Ag13 113.2(8) . . ?
C7 S4 Ag15 105.8(8) . . ?
C7 S4 Ag17 110.8(8) . . ?
Ag6 S5 Ag5 72.84(12) . . ?
Ag6 S5 Ag8 75.83(10) . . ?
Ag8 S5 Ag5 140.53(15) . . ?
Ag14 S5 Ag5 74.19(11) . . ?
Ag14 S5 Ag6 130.12(17) . . ?
Ag14 S5 Ag8 110.45(14) . . ?
C1 S5 Ag5 103.4(6) . . ?
C1 S5 Ag6 110.6(6) . . ?
C1 S5 Ag8 109.7(6) . . ?
C1 S5 Ag14 112.8(6) . . ?
Ag7 S6 Ag10 97.90(14) . . ?
Ag7 S6 Ag11 145.05(17) . . ?
Ag8 S6 Ag7 76.28(13) . . ?
Ag8 S6 Ag10 144.16(16) . . ?
Ag8 S6 Ag11 77.33(12) . . ?
Ag11 S6 Ag10 90.30(14) . . ?
C28 S6 Ag7 105.5(7) . . ?
C28 S6 Ag8 108.3(5) . . ?
C28 S6 Ag10 107.3(5) . . ?
C28 S6 Ag11 104.3(7) . . ?
Ag11 S7 Ag12 114.14(15) . . ?
Ag11 S7 Ag20 134.17(18) . . ?
Ag20 S7 Ag12 86.45(13) . . ?
Ag22 S7 Ag11 70.18(11) . . ?
Ag22 S7 Ag12 144.23(19) . . ?
Ag22 S7 Ag20 70.24(10) . . ?
C9 S7 Ag11 106.6(6) . . ?
C9 S7 Ag12 107.3(6) . . ?
C9 S7 Ag20 105.1(5) . . ?
C9 S7 Ag22 104.8(5) . . ?
Ag9 S8 Ag10 87.80(14) . . ?
Ag9 S8 Ag22 140.23(18) . . ?
Ag21 S8 Ag9 106.28(16) . . ?
Ag21 S8 Ag10 132.79(15) . . ?
Ag21 S8 Ag22 71.75(11) . . ?
Ag22 S8 Ag10 69.38(9) . . ?
C26 S8 Ag9 112.8(8) . . ?
C26 S8 Ag10 109.6(7) . . ?
C26 S8 Ag21 105.7(7) . . ?
C26 S8 Ag22 105.5(8) . . ?
Ag1 S9 Ag19 87.7(2) 2_766 . ?
Ag1 S9 Ag20 154.4(2) 2_766 . ?
Ag1 S9 Ag21 99.8(2) 2_766 . ?
Ag1A S9 Ag20 149.9(4) 2_766 . ?
Ag19 S9 Ag1A 104.9(4) . 2_766 ?
Ag19 S9 Ag20 76.94(10) . . ?
Ag21 S9 Ag1A 80.2(6) . 2_766 ?
Ag21 S9 Ag19 137.91(17) . . ?
Ag21 S9 Ag20 79.29(11) . . ?
C11 S9 Ag1 101.0(6) . 2_766 ?
C11 S9 Ag1A 104.3(6) . 2_766 ?
C11 S9 Ag19 108.9(6) . . ?
C11 S9 Ag20 103.3(6) . . ?
C11 S9 Ag21 110.1(6) . . ?
Ag3 S10 Ag17 143.19(17) 2_766 . ?
Ag3 S10 Ag18 74.13(12) 2_766 . ?
Ag3 S10 Ag19 76.52(10) 2_766 . ?
Ag17 S10 Ag18 82.05(12) . . ?
Ag19 S10 Ag17 106.94(14) . . ?
Ag19 S10 Ag18 139.70(15) . . ?
C29 S10 Ag3 103.8(5) . 2_766 ?
C29 S10 Ag17 109.5(5) . . ?
C29 S10 Ag18 105.8(5) . . ?
C29 S10 Ag19 107.6(5) . . ?
O24 S11 C33 106.7(8) . . ?
O25 S11 C33 106.8(7) . . ?
O25 S11 O24 111.0(8) . . ?
O25 S11 O26 113.9(8) . . ?
O26 S11 C33 106.4(9) . . ?
O26 S11 O24 111.5(8) . . ?
O21 S12 C39 105.7(12) . . ?
O22 S12 C39 106.6(12) . . ?
O22 S12 O21 111.6(9) . . ?
O23 S12 C39 107.1(11) . . ?
O23 S12 O21 109.6(9) . . ?
O23 S12 O22 115.5(9) . . ?
O27 S13 C51 106.8(8) . . ?
O27 S13 O28 113.2(6) . . ?
O27 S13 O29 111.5(7) . . ?
O28 S13 C51 105.6(8) . . ?
O28 S13 O29 112.4(7) . . ?
O29 S13 C51 106.8(7) . . ?
O30 S14 C45 107.9(12) . . ?
O30 S14 O32 113.8(10) . . ?
O31 S14 C45 108.7(13) . . ?
O31 S14 O30 115.7(9) . . ?
O31 S14 O32 107.4(11) . . ?
O32 S14 C45 102.4(13) . . ?
O33 S15 C57 108.2(10) . . ?
O33 S15 O34 106.5(11) . . ?
O34 S15 C57 103.6(9) . . ?
O35 S15 C57 109.5(11) . . ?
O35 S15 O33 125.0(10) . . ?
O35 S15 O34 101.8(12) . . ?
O36 S16 C63 107.7(9) . . ?
O37 S16 C63 105.5(8) . . ?
O37 S16 O36 111.1(8) . . ?
O38 S16 C63 108.1(8) . . ?
O38 S16 O36 107.2(8) . . ?
O38 S16 O37 116.8(7) . . ?
O15 S17 C13 104.2(14) . . ?
O16 S17 C13 106.7(16) . . ?
O16 S17 O15 116.5(11) . . ?
O16 S17 O17 110.9(10) . . ?
O17 S17 C13 106.5(13) . . ?
O17 S17 O15 111.2(9) . . ?
O18 S18 C19 103.7(11) . . ?
O18 S18 O19 113.6(9) . . ?
O18 S18 O20 114.6(8) . . ?
O19 S18 C19 106.9(12) . . ?
O20 S18 C19 104.8(11) . . ?
O20 S18 O19 112.0(8) . . ?
O39 S19 C69 104.4(9) . . ?
O40 S19 C69 105.8(11) . . ?
O40 S19 O39 113.9(12) . . ?
O40 S19 O41 111.4(9) . . ?
O41 S19 C69 106.9(10) . . ?
O41 S19 O39 113.6(9) . . ?
O4 V1 O6 155.2(4) . . ?
O4 V1 O8 89.3(4) . 2_766 ?
O4 V1 O13 96.5(4) . . ?
O4 V1 O14 81.4(4) . 2_766 ?
O4 V1 V2 33.9(3) . . ?
O4 V1 V3 85.1(3) . . ?
O4 V1 V4 128.8(3) . 2_766 ?
O5 V1 O4 102.9(5) . . ?
O5 V1 O6 98.6(4) . . ?
O5 V1 O8 97.6(4) . 2_766 ?
O5 V1 O13 104.5(5) . . ?
O5 V1 O14 172.3(4) . 2_766 ?
O5 V1 V2 136.7(4) . . ?
O5 V1 V3 138.2(4) . . ?
O5 V1 V4 87.5(3) . 2_766 ?
O6 V1 O8 75.7(4) . 2_766 ?
O6 V1 O14 75.9(3) . 2_766 ?
O6 V1 V2 124.2(3) . . ?
O6 V1 V3 87.0(3) . . ?
O6 V1 V4 39.7(3) . 2_766 ?
O8 V1 O14 76.0(3) 2_766 2_766 ?
O8 V1 V2 87.6(3) 2_766 . ?
O8 V1 V3 123.7(3) 2_766 . ?
O8 V1 V4 39.5(3) 2_766 2_766 ?
O13 V1 O6 89.8(4) . . ?
O13 V1 O8 155.1(4) . 2_766 ?
O13 V1 O14 81.0(4) . 2_766 ?
O13 V1 V2 84.1(3) . . ?
O13 V1 V3 33.8(3) . . ?
O13 V1 V4 129.5(3) . 2_766 ?
O14 V1 V2 48.3(2) 2_766 . ?
O14 V1 V3 47.8(2) 2_766 . ?
O14 V1 V4 84.8(2) 2_766 2_766 ?
V2 V1 V3 59.12(8) . . ?
V2 V1 V4 119.83(9) . 2_766 ?
V4 V1 V3 119.36(9) 2_766 . ?
O2 V2 O7 82.5(4) . 2_766 ?
O2 V2 O14 77.1(3) . 2_766 ?
O2 V2 V1 123.4(3) . . ?
O2 V2 V3 83.0(3) . . ?
O2 V2 V4 32.1(3) . . ?
O2 V2 V5 78.6(3) . 2_766 ?
O3 V2 O2 101.8(5) . . ?
O3 V2 O4 101.6(5) . . ?
O3 V2 O7 98.3(5) . 2_766 ?
O3 V2 O10 104.7(5) . . ?
O3 V2 O14 172.8(5) . 2_766 ?
O3 V2 V1 134.4(4) . . ?
O3 V2 V3 138.4(4) . . ?
O3 V2 V4 133.9(4) . . ?
O3 V2 V5 129.0(4) . 2_766 ?
O4 V2 O2 154.5(4) . . ?
O4 V2 O7 84.1(4) . 2_766 ?
O4 V2 O14 78.4(4) . 2_766 ?
O4 V2 V1 32.8(3) . . ?
O4 V2 V3 86.3(3) . . ?
O4 V2 V4 123.9(3) . . ?
O4 V2 V5 78.8(3) . 2_766 ?
O7 V2 O14 74.5(3) 2_766 2_766 ?
O7 V2 V1 82.8(3) 2_766 . ?
O7 V2 V3 123.2(3) 2_766 . ?
O7 V2 V4 80.7(3) 2_766 . ?
O7 V2 V5 30.7(3) 2_766 2_766 ?
O10 V2 O2 90.6(4) . . ?
O10 V2 O4 93.3(4) . . ?
O10 V2 O7 156.8(4) . 2_766 ?
O10 V2 O14 82.4(4) . 2_766 ?
O10 V2 V1 82.7(3) . . ?
O10 V2 V3 33.6(3) . . ?
O10 V2 V4 81.8(3) . . ?
O10 V2 V5 126.3(3) . 2_766 ?
O14 V2 V1 46.3(2) 2_766 . ?
O14 V2 V3 48.8(2) 2_766 . ?
O14 V2 V4 45.5(2) 2_766 . ?
O14 V2 V5 43.8(2) 2_766 2_766 ?
V1 V2 V4 91.51(8) . . ?
V1 V2 V5 62.18(7) . 2_766 ?
V3 V2 V1 61.36(8) . . ?
V3 V2 V4 59.71(8) . . ?
V3 V2 V5 92.62(9) . 2_766 ?
V5 V2 V4 61.52(7) 2_766 . ?
O9 V3 O12 84.4(4) . . ?
O9 V3 O13 153.8(4) . . ?
O9 V3 O14 77.9(4) . 2_766 ?
O9 V3 V1 123.2(3) . . ?
O9 V3 V2 85.6(3) . . ?
O9 V3 V4 32.4(3) . . ?
O9 V3 V5 78.7(3) . . ?
O10 V3 O9 93.5(4) . . ?
O10 V3 O12 157.2(4) . . ?
O10 V3 O13 90.2(4) . . ?
O10 V3 O14 81.6(4) . 2_766 ?
O10 V3 V1 80.8(3) . . ?
O10 V3 V2 33.3(3) . . ?
O10 V3 V4 82.7(3) . . ?
O10 V3 V5 125.5(3) . . ?
O11 V3 O9 101.5(5) . . ?
O11 V3 O10 100.6(5) . . ?
O11 V3 O12 102.1(5) . . ?
O11 V3 O13 103.3(4) . . ?
O11 V3 O14 177.8(5) . 2_766 ?
O11 V3 V1 135.2(4) . . ?
O11 V3 V2 133.9(4) . . ?
O11 V3 V4 133.5(4) . . ?
O11 V3 V5 133.9(4) . . ?
O12 V3 O14 75.7(3) . 2_766 ?
O12 V3 V1 81.4(3) . . ?
O12 V3 V2 124.0(3) . . ?
O12 V3 V4 83.5(2) . . ?
O12 V3 V5 31.8(3) . . ?
O13 V3 O12 82.3(4) . . ?
O13 V3 O14 77.0(3) . 2_766 ?
O13 V3 V1 32.2(3) . . ?
O13 V3 V2 83.2(3) . . ?
O13 V3 V4 123.1(3) . . ?
O13 V3 V5 78.1(3) . . ?
O14 V3 V1 45.3(2) 2_766 . ?
O14 V3 V2 48.3(2) 2_766 . ?
O14 V3 V4 46.1(2) 2_766 . ?
O14 V3 V5 43.9(2) 2_766 . ?
V2 V3 V1 59.52(8) . . ?
V2 V3 V4 61.00(8) . . ?
V2 V3 V5 92.21(9) . . ?
V4 V3 V1 91.19(9) . . ?
V4 V3 V5 62.14(7) . . ?
V5 V3 V1 61.27(7) . . ?
O1 V4 Ag18 51.9(4) . 2_766 ?
O1 V4 O2 101.4(5) . . ?
O1 V4 O6 96.3(4) . 2_766 ?
O1 V4 O8 100.4(4) . . ?
O1 V4 O9 106.1(5) . . ?
O1 V4 O14 171.9(4) . 2_766 ?
O1 V4 V1 87.9(3) . 2_766 ?
O1 V4 V2 135.1(4) . . ?
O1 V4 V3 139.0(4) . . ?
O2 V4 Ag18 74.9(3) . 2_766 ?
O2 V4 O6 90.9(4) . 2_766 ?
O2 V4 O8 155.3(4) . . ?
O2 V4 O14 80.8(4) . 2_766 ?
O2 V4 V1 130.0(3) . 2_766 ?
O2 V4 V2 33.7(3) . . ?
O2 V4 V3 83.8(3) . . ?
O6 V4 Ag18 53.4(2) 2_766 2_766 ?
O6 V4 O14 75.8(3) 2_766 2_766 ?
O6 V4 V1 39.2(3) 2_766 2_766 ?
O6 V4 V2 87.6(3) 2_766 . ?
O6 V4 V3 124.5(3) 2_766 . ?
O8 V4 Ag18 110.6(2) . 2_766 ?
O8 V4 O6 75.3(4) . 2_766 ?
O8 V4 O14 76.0(3) . 2_766 ?
O8 V4 V1 39.7(2) . 2_766 ?
O8 V4 V2 123.6(3) . . ?
O8 V4 V3 87.3(2) . . ?
O9 V4 Ag18 151.7(3) . 2_766 ?
O9 V4 O2 95.8(4) . . ?
O9 V4 O6 154.8(4) . 2_766 ?
O9 V4 O8 89.2(4) . . ?
O9 V4 O14 81.3(4) . 2_766 ?
O9 V4 V1 128.9(3) . 2_766 ?
O9 V4 V2 84.7(3) . . ?
O9 V4 V3 33.2(3) . . ?
O14 V4 Ag18 122.1(3) 2_766 2_766 ?
O14 V4 V1 84.8(2) 2_766 2_766 ?
O14 V4 V2 47.6(2) 2_766 . ?
O14 V4 V3 48.8(2) 2_766 . ?
V1 V4 Ag18 73.19(7) 2_766 2_766 ?
V1 V4 V2 119.38(10) 2_766 . ?
V2 V4 Ag18 99.64(9) . 2_766 ?
V3 V4 Ag18 158.34(10) . 2_766 ?
V3 V4 V1 119.92(9) . 2_766 ?
V3 V4 V2 59.28(8) . . ?
O6 V5 O8 154.1(4) . . ?
O6 V5 O14 79.9(4) . 2_766 ?
O6 V5 O14 80.2(4) . . ?
O6 V5 V2 90.3(3) . 2_766 ?
O6 V5 V3 90.1(3) . . ?
O7 V5 O6 97.3(4) . . ?
O7 V5 O8 98.2(4) . . ?
O7 V5 O12 106.9(5) . . ?
O7 V5 O14 165.2(4) . 2_766 ?
O7 V5 O14 86.9(4) . . ?
O7 V5 V2 38.8(3) . 2_766 ?
O7 V5 V3 146.0(4) . . ?
O8 V5 O14 80.0(4) . . ?
O8 V5 O14 79.8(4) . 2_766 ?
O8 V5 V2 88.7(2) . 2_766 ?
O8 V5 V3 88.7(2) . . ?
O12 V5 O6 97.3(4) . . ?
O12 V5 O8 98.0(4) . . ?
O12 V5 O14 166.2(4) . . ?
O12 V5 O14 88.0(4) . 2_766 ?
O12 V5 V2 145.7(3) . 2_766 ?
O12 V5 V3 39.2(3) . . ?
O14 V5 O14 78.2(3) 2_766 . ?
O14 V5 V2 48.1(2) . 2_766 ?
O14 V5 V2 126.3(3) 2_766 2_766 ?
O14 V5 V3 127.0(2) . . ?
O14 V5 V3 48.8(2) 2_766 . ?
V3 V5 V2 174.90(11) . 2_766 ?

_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 1.160
_oxdiff_exptl_absorpt_empirical_full_min 0.833
# start Validation Reply Form
_vrf_PLAT910_SD_Ag44A            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         63 Note  
RESPONSE: Theta min = 3.370 deg. The theta value of the missing reflections are 
less than 3.370 deg. and therefore reflections were excluded.
;
####################################################################### 
# 
# 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_SD_Ag44b
_database_code_depnum_ccdc_archive 'CCDC 1900810'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2019-03-04 deposited with the CCDC.	2019-05-20 downloaded from the CCDC.
;
_audit_creation_date             2018-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.13(C384 H960 Ag352 Cl96 Mo48 O152 S216)'
_chemical_formula_sum            'C48 H120 Ag44 Cl12 Mo6 O19 S27'
_chemical_formula_weight         7614.37
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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      cubic
_space_group_IT_number           226
_space_group_name_H-M_alt        'F m -3 c'
_space_group_name_Hall           '-F 4c 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y+1/2, x+1, -z+1'
'-y+1/2, -x+1, -z+1'
'y+1/2, -x+1, z+1'
'-y+1/2, x+1, z+1'
'x+1/2, z+1, -y+1'
'-x+1/2, z+1, y+1'
'-x+1/2, -z+1, -y+1'
'x+1/2, -z+1, y+1'
'z+1/2, y+1, -x+1'
'z+1/2, -y+1, x+1'
'-z+1/2, y+1, x+1'
'-z+1/2, -y+1, -x+1'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1, x+1/2, -z+1'
'-y+1, -x+1/2, -z+1'
'y+1, -x+1/2, z+1'
'-y+1, x+1/2, z+1'
'x+1, z+1/2, -y+1'
'-x+1, z+1/2, y+1'
'-x+1, -z+1/2, -y+1'
'x+1, -z+1/2, y+1'
'z+1, y+1/2, -x+1'
'z+1, -y+1/2, x+1'
'-z+1, y+1/2, x+1'
'-z+1, -y+1/2, -x+1'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1, x+1, -z+1/2'
'-y+1, -x+1, -z+1/2'
'y+1, -x+1, z+1/2'
'-y+1, x+1, z+1/2'
'x+1, z+1, -y+1/2'
'-x+1, z+1, y+1/2'
'-x+1, -z+1, -y+1/2'
'x+1, -z+1, y+1/2'
'z+1, y+1, -x+1/2'
'z+1, -y+1, x+1/2'
'-z+1, y+1, x+1/2'
'-z+1, -y+1, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'y-1/2, -x-1/2, -z-1/2'
'-x-1/2, -z-1/2, y-1/2'
'x-1/2, -z-1/2, -y-1/2'
'x-1/2, z-1/2, y-1/2'
'-x-1/2, z-1/2, -y-1/2'
'-z-1/2, -y-1/2, x-1/2'
'-z-1/2, y-1/2, -x-1/2'
'z-1/2, -y-1/2, -x-1/2'
'z-1/2, y-1/2, x-1/2'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y-1/2, -x, z'
'y-1/2, x, z'
'-y-1/2, x, -z'
'y-1/2, -x, -z'
'-x-1/2, -z, y'
'x-1/2, -z, -y'
'x-1/2, z, y'
'-x-1/2, z, -y'
'-z-1/2, -y, x'
'-z-1/2, y, -x'
'z-1/2, -y, -x'
'z-1/2, y, x'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y, -x-1/2, z'
'y, x-1/2, z'
'-y, x-1/2, -z'
'y, -x-1/2, -z'
'-x, -z-1/2, y'
'x, -z-1/2, -y'
'x, z-1/2, y'
'-x, z-1/2, -y'
'-z, -y-1/2, x'
'-z, y-1/2, -x'
'z, -y-1/2, -x'
'z, y-1/2, x'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-y, x, -z-1/2'
'y, -x, -z-1/2'
'-x, -z, y-1/2'
'x, -z, -y-1/2'
'x, z, y-1/2'
'-x, z, -y-1/2'
'-z, -y, x-1/2'
'-z, y, -x-1/2'
'z, -y, -x-1/2'
'z, y, x-1/2'

_cell_length_a                   32.558(4)
_cell_length_b                   32.558(4)
_cell_length_c                   32.558(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     34512(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3657
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      23.137
_cell_measurement_theta_min      2.167
_shelx_estimated_absorpt_T_max   0.845
_shelx_estimated_absorpt_T_min   0.759
_exptl_absorpt_coefficient_mu    5.822
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0726 before and 0.0495 after correction. The Ratio of minimum to maximum transmission is 0.8475. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.931
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             28128
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            23949
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                995
_reflns_number_total             1359
_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       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_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         3.758
_refine_diff_density_min         -2.184
_refine_diff_density_rms         0.263
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         1359
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0713
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0777P)²+5847.5532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1746
_refine_ls_wR_factor_ref         0.2014
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1-Mo1
 1.68 with sigma of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
3.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C)
;
_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
Mo1 Mo 0.2500 0.2500 0.17683(9) 0.0397(7) Uani 1 4 d DS T P . .
Ag2 Ag 0.13553(4) 0.2500 0.13553(4) 0.0455(5) Uani 1 2 d S T P . .
Ag3 Ag 0.18078(5) 0.23621(5) 0.05747(5) 0.0638(6) Uani 1 1 d . . . . .
Ag1 Ag 0.16877(6) 0.33123(6) 0.16877(6) 0.0649(8) Uani 1 3 d S T P . .
S1 S 0.2500 0.2500 0.0000 0.039(2) Uani 1 8 d S T P . .
S2 S 0.09337(13) 0.19702(15) 0.16792(15) 0.0504(11) Uani 1 1 d . . . . .
Cl1 Cl 0.1323(2) 0.2166(3) 0.0000 0.0653(19) Uani 1 2 d S T P . .
O3 O 0.2500 0.2500 0.2500 0.021(9) Uani 1 24 d S T P . .
O1 O 0.2500 0.2500 0.1259(3) 0.087(11) Uani 1 4 d DS T P . .
O2 O 0.2500 0.1907(3) 0.1907(3) 0.061(5) Uani 1 2 d S T P . .
C1 C 0.0630(9) 0.1705(8) 0.1302(7) 0.093(9) Uani 1 1 d . . . . .
H1A H 0.0740 0.1423 0.1269 0.112 Uiso 1 1 calc R . . . .
H1B H 0.0345 0.1680 0.1407 0.112 Uiso 1 1 calc R . . . .
C2 C 0.0617(8) 0.1894(9) 0.0912(7) 0.093(8) Uani 1 1 d . . . . .
H2A H 0.0504 0.1700 0.0710 0.139 Uiso 1 1 calc GR . . . .
H2B H 0.0895 0.1973 0.0829 0.139 Uiso 1 1 calc GR . . . .
H2C H 0.0442 0.2138 0.0924 0.139 Uiso 1 1 calc GR . . . .


_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
Mo1 O3 2.382(3) . ?
Mo1 O1 1.659(10) . ?
Mo1 O2 1.982(8) 74 ?
Mo1 O2 1.982(8) . ?
Mo1 O2 1.982(8) 79 ?
Mo1 O2 1.982(8) 5 ?
Ag2 Ag3 2.9717(16) 70_454 ?
Ag2 Ag3 2.9718(16) . ?
Ag2 Ag1 3.0557(10) 40_544 ?
Ag2 Ag1 3.0557(10) . ?
Ag2 S2 2.444(5) 70_454 ?
Ag2 S2 2.444(5) . ?
Ag2 O2 2.541(15) 5 ?
Ag3 Ag3 3.250(3) 40_544 ?
Ag3 Ag3 3.250(3) 63_454 ?
Ag3 S1 2.9633(17) . ?
Ag3 S2 2.503(5) 70_454 ?
Ag3 S2 2.567(5) 9 ?
Ag3 Cl1 2.531(5) . ?
Ag1 Ag2 3.0557(10) 84 ?
Ag1 Ag2 3.0557(10) 30 ?
Ag1 S2 2.622(5) 68_454 ?
Ag1 S2 2.622(5) 63_454 ?
Ag1 S2 2.622(5) 70_454 ?
S1 Ag3 2.9634(17) 98 ?
S1 Ag3 2.9634(17) 160_565 ?
S1 Ag3 2.9634(17) 169 ?
S1 Ag3 2.9634(17) 135_655 ?
S1 Ag3 2.9634(17) 40_544 ?
S1 Ag3 2.9634(17) 74 ?
S1 Ag3 2.9634(17) 63_454 ?
S2 Ag3 2.503(5) 70_454 ?
S2 Ag3 2.567(5) 5 ?
S2 Ag1 2.622(5) 40_544 ?
S2 C1 1.80(2) . ?
Cl1 Ag3 2.531(5) 98 ?
O3 Mo1 2.382(3) 9 ?
O3 Mo1 2.382(3) 79 ?
O3 Mo1 2.382(3) 35 ?
O3 Mo1 2.382(3) 51 ?
O3 Mo1 2.382(3) 5 ?
O2 Mo1 1.982(8) 9 ?
O2 Ag2 2.542(15) 9 ?
C1 C2 1.41(3) . ?

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
O1 Mo1 O3 180.0 . . ?
O1 Mo1 O2 103.2(4) . 5 ?
O1 Mo1 O2 103.2(4) . 79 ?
O1 Mo1 O2 103.2(4) . . ?
O1 Mo1 O2 103.2(4) . 74 ?
O2 Mo1 O3 76.8(4) 5 . ?
O2 Mo1 O3 76.8(4) 74 . ?
O2 Mo1 O3 76.8(4) . . ?
O2 Mo1 O3 76.8(4) 79 . ?
O2 Mo1 O2 87.02(17) 74 5 ?
O2 Mo1 O2 153.6(7) . 74 ?
O2 Mo1 O2 153.6(7) 79 5 ?
O2 Mo1 O2 87.02(17) . 79 ?
O2 Mo1 O2 87.02(17) . 5 ?
O2 Mo1 O2 87.02(17) 79 74 ?
Ag3 Ag2 Ag3 150.55(9) 70_454 . ?
Ag3 Ag2 Ag1 89.80(4) . 40_544 ?
Ag3 Ag2 Ag1 104.96(4) . . ?
Ag3 Ag2 Ag1 104.96(4) 70_454 40_544 ?
Ag3 Ag2 Ag1 89.80(4) 70_454 . ?
Ag1 Ag2 Ag1 119.88(13) . 40_544 ?
S2 Ag2 Ag3 122.75(12) 70_454 70_454 ?
S2 Ag2 Ag3 54.00(12) 70_454 . ?
S2 Ag2 Ag3 122.75(12) . . ?
S2 Ag2 Ag3 54.01(12) . 70_454 ?
S2 Ag2 Ag1 131.07(12) 70_454 40_544 ?
S2 Ag2 Ag1 55.61(11) . 40_544 ?
S2 Ag2 Ag1 131.07(12) . . ?
S2 Ag2 Ag1 55.61(11) 70_454 . ?
S2 Ag2 S2 169.4(2) . 70_454 ?
S2 Ag2 O2 95.28(12) . 5 ?
S2 Ag2 O2 95.28(12) 70_454 5 ?
O2 Ag2 Ag3 104.72(5) 5 70_454 ?
O2 Ag2 Ag3 104.72(5) 5 . ?
O2 Ag2 Ag1 59.94(7) 5 . ?
O2 Ag2 Ag1 59.94(7) 5 40_544 ?
Ag2 Ag3 Ag3 119.75(5) . 40_544 ?
Ag2 Ag3 Ag3 98.60(5) . 63_454 ?
Ag3 Ag3 Ag3 90.0 63_454 40_544 ?
S1 Ag3 Ag2 153.39(7) . . ?
S1 Ag3 Ag3 56.747(17) . 40_544 ?
S1 Ag3 Ag3 56.749(17) . 63_454 ?
S2 Ag3 Ag2 52.16(11) 70_454 . ?
S2 Ag3 Ag2 81.00(11) 9 . ?
S2 Ag3 Ag3 49.28(12) 9 40_544 ?
S2 Ag3 Ag3 127.30(12) 9 63_454 ?
S2 Ag3 Ag3 128.41(12) 70_454 40_544 ?
S2 Ag3 Ag3 51.00(12) 70_454 63_454 ?
S2 Ag3 S1 105.19(12) 9 . ?
S2 Ag3 S1 106.88(12) 70_454 . ?
S2 Ag3 S2 125.0(2) 70_454 9 ?
S2 Ag3 Cl1 117.4(2) 70_454 . ?
Cl1 Ag3 Ag2 111.16(15) . . ?
Cl1 Ag3 Ag3 112.25(18) . 40_544 ?
Cl1 Ag3 Ag3 123.84(17) . 63_454 ?
Cl1 Ag3 S1 92.65(14) . . ?
Cl1 Ag3 S2 104.3(2) . 9 ?
Ag2 Ag1 Ag2 119.19(2) . 84 ?
Ag2 Ag1 Ag2 119.19(2) 30 84 ?
Ag2 Ag1 Ag2 119.19(2) . 30 ?
S2 Ag1 Ag2 50.28(11) 68_454 30 ?
S2 Ag1 Ag2 158.58(14) 68_454 84 ?
S2 Ag1 Ag2 50.28(11) 63_454 84 ?
S2 Ag1 Ag2 158.58(14) 63_454 . ?
S2 Ag1 Ag2 78.56(11) 63_454 30 ?
S2 Ag1 Ag2 50.28(11) 70_454 . ?
S2 Ag1 Ag2 78.57(11) 68_454 . ?
S2 Ag1 Ag2 78.56(11) 70_454 84 ?
S2 Ag1 Ag2 158.58(14) 70_454 30 ?
S2 Ag1 S2 108.80(13) 70_454 68_454 ?
S2 Ag1 S2 108.80(13) 63_454 68_454 ?
S2 Ag1 S2 108.80(13) 70_454 63_454 ?
Ag3 S1 Ag3 180.00(6) 135_655 63_454 ?
Ag3 S1 Ag3 113.49(3) 98 63_454 ?
Ag3 S1 Ag3 113.49(3) 74 135_655 ?
Ag3 S1 Ag3 66.51(3) 98 160_565 ?
Ag3 S1 Ag3 113.49(3) 98 40_544 ?
Ag3 S1 Ag3 66.51(3) . 63_454 ?
Ag3 S1 Ag3 66.51(3) 135_655 169 ?
Ag3 S1 Ag3 66.51(3) 74 63_454 ?
Ag3 S1 Ag3 78.30(6) 63_454 160_565 ?
Ag3 S1 Ag3 113.49(3) . 160_565 ?
Ag3 S1 Ag3 180.00(6) 160_565 40_544 ?
Ag3 S1 Ag3 78.30(6) . 98 ?
Ag3 S1 Ag3 66.51(3) . 40_544 ?
Ag3 S1 Ag3 180.00(5) . 169 ?
Ag3 S1 Ag3 101.70(6) 98 169 ?
Ag3 S1 Ag3 101.70(6) . 74 ?
Ag3 S1 Ag3 78.30(6) 74 169 ?
Ag3 S1 Ag3 113.49(3) 63_454 169 ?
Ag3 S1 Ag3 66.51(3) 160_565 169 ?
Ag3 S1 Ag3 180.00(9) 98 74 ?
Ag3 S1 Ag3 101.70(6) 135_655 160_565 ?
Ag3 S1 Ag3 66.51(3) 74 40_544 ?
Ag3 S1 Ag3 78.30(6) 135_655 40_544 ?
Ag3 S1 Ag3 113.49(3) . 135_655 ?
Ag3 S1 Ag3 101.70(6) 63_454 40_544 ?
Ag3 S1 Ag3 113.49(3) 74 160_565 ?
Ag3 S1 Ag3 66.51(3) 98 135_655 ?
Ag3 S1 Ag3 113.49(3) 169 40_544 ?
Ag2 S2 Ag3 73.83(14) . 70_454 ?
Ag2 S2 Ag3 140.8(2) . 5 ?
Ag2 S2 Ag1 74.11(13) . 40_544 ?
Ag3 S2 Ag3 79.72(16) 70_454 5 ?
Ag3 S2 Ag1 110.17(18) 5 40_544 ?
Ag3 S2 Ag1 137.7(2) 70_454 40_544 ?
C1 S2 Ag2 110.7(8) . . ?
C1 S2 Ag3 105.9(10) . 70_454 ?
C1 S2 Ag3 104.0(8) . 5 ?
C1 S2 Ag1 110.7(10) . 40_544 ?
Ag3 Cl1 Ag3 95.3(3) 98 . ?
Mo1 O3 Mo1 90.0 51 9 ?
Mo1 O3 Mo1 90.0 35 51 ?
Mo1 O3 Mo1 180.0 35 9 ?
Mo1 O3 Mo1 90.0 79 9 ?
Mo1 O3 Mo1 180.0 . 51 ?
Mo1 O3 Mo1 90.0 35 5 ?
Mo1 O3 Mo1 90.0 . 79 ?
Mo1 O3 Mo1 90.0 5 9 ?
Mo1 O3 Mo1 90.0 51 79 ?
Mo1 O3 Mo1 90.0 35 79 ?
Mo1 O3 Mo1 90.0 . 9 ?
Mo1 O3 Mo1 180.0 5 79 ?
Mo1 O3 Mo1 90.0 . 35 ?
Mo1 O3 Mo1 90.0 51 5 ?
Mo1 O3 Mo1 90.0 . 5 ?
Mo1 O2 Mo1 116.4(7) . 9 ?
Mo1 O2 Ag2 121.8(4) 9 9 ?
Mo1 O2 Ag2 121.8(4) . 9 ?
C2 C1 S2 115.0(17) . . ?

_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_SD_Ag46
_database_code_depnum_ccdc_archive 'CCDC 1900809'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2019-03-04 deposited with the CCDC.	2019-05-20 downloaded from the CCDC.
;
_audit_creation_date             2018-03-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(C262 H370 Ag92 O146 S74 V20), C6 H5 O3 S'
_chemical_formula_sum            'C137 H190 Ag46 O76 S38 V10'
_chemical_formula_weight         9742.58
_chemical_absolute_configuration ?
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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           8
_space_group_name_H-M_alt        'C 1 m 1'
_space_group_name_Hall           'C -2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'

_cell_length_a                   25.7510(15)
_cell_length_b                   30.6808(17)
_cell_length_c                   19.5302(11)
_cell_angle_alpha                90
_cell_angle_beta                 126.5766(6)
_cell_angle_gamma                90
_cell_volume                     12391.3(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.050
_cell_measurement_theta_min      2.222
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.283
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0628 before and 0.0388 after correction.
The Ratio of minimum to maximum transmission is 0.8535.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.611
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9240
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37341
_diffrn_reflns_point_group_measured_fraction_full 0.783
_diffrn_reflns_point_group_measured_fraction_max 0.805
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.857
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.609
_reflns_Friedel_fraction_full    0.594
_reflns_Friedel_fraction_max     0.610
_reflns_number_gt                16009
_reflns_number_total             17925
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         4.890
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.221
_refine_ls_abs_structure_details 
;
 Flack x determined using 5563 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.378(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1182
_refine_ls_number_reflns         17925
_refine_ls_number_restraints     375
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.080
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1034P)²+209.6466P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1593
_refine_ls_wR_factor_ref         0.1672
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O21-S20
 1.45 with sigma of 0.05
 O29-O28
 2.35 with sigma of 0.01
 C13-O36
 1.25 with sigma of 0.01
 C13-O35
 1.25 with sigma of 0.01
 C12-C11
 1.55 with sigma of 0.01
 C9-C10
 1.55 with sigma of 0.01
 S17-C39
 1.75 with sigma of 0.01
 C53-O21
 2.5 with sigma of 0.01
 C58-S20
 2.5 with sigma of 0.01
 C8-C7
 1.55 with sigma of 0.01
 C26-C27
 1.55 with sigma of 0.01
 C26-S11
 2.75 with sigma of 0.01
 C46-C45
 1.55 with sigma of 0.01
 C31-C32
 1.39 with sigma of 0.01
 C29-C30
 1.39 with sigma of 0.01
 C30-C31
 1.39 with sigma of 0.01
 C29-C34
 1.39 with sigma of 0.01
 C66-C65
 1.55 with sigma of 0.01
 O40A-S1A
 1.45 with sigma of 0.01
 S1A-O41A
 1.45 with sigma of 0.01
 O40A-O41A
 2.35 with sigma of 0.01
 O40A-O42A
 2.35 with sigma of 0.01
 O42A-O41A
 2.35 with sigma of 0.01
 O40A-C77
 2.75 with sigma of 0.01
3. Restrained planarity
 C40, C39, C44, C43, C42, C41, S17
 with sigma of 0.01
 C29, C30, C31, C32, C34, C33
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
O19 \\sim O20 \\sim O21 \\sim S20: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.008
C52 \\sim C51 \\sim C50 \\sim C49 \\sim C48 \\sim C47 \\sim O27 \\sim O28 \\sim
O29 \\sim S21: within 1.7A with sigma of 0.002 and sigma for terminal atoms of
0.004
C13 \\sim O35 \\sim O36: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
C11 \\sim C12 \\sim S2: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
C22 \\sim C23: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008
C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C16 \\sim O33 \\sim O34 \\sim
S15: within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
C40 \\sim C39 \\sim C44 \\sim C43 \\sim C42 \\sim C41 \\sim O37 \\sim O38 \\sim
O39 \\sim S17: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C37 \\sim C38: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.008
C53 \\sim C58 \\sim C57 \\sim C56 \\sim C55 \\sim C54 \\sim O19 \\sim O20 \\sim
O21 \\sim S20: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C1 \\sim C6 \\sim C5 \\sim C4 \\sim C3 \\sim C2: within 1.7A with sigma of
0.004 and sigma for terminal atoms of 0.08
C26 \\sim C27 \\sim S11: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
O40A: within 1.7A with sigma of 0.004 and sigma for terminal atoms of 0.08
O40A \\sim O41A \\sim O42A \\sim S1A: within 1.7A with sigma of 0.004 and sigma
for terminal atoms of 0.08
O40A \\sim O41A \\sim O42A \\sim S1A \\sim C79 \\sim C78 \\sim C77 \\sim C81
\\sim C80 \\sim C82: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.08
C67 \\sim C68: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C62 \\sim C63 \\sim C64 \\sim C59 \\sim C60 \\sim C61: within 1.7A with sigma
of 0.004 and sigma for terminal atoms of 0.08
C29 \\sim C30 \\sim C31 \\sim C32 \\sim C34 \\sim C33 \\sim O30 \\sim O31 \\sim
O32 \\sim S16: within 1.7A with sigma of 0.002 and sigma for terminal atoms of
0.008
C71 \\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim C76 \\sim O24 \\sim O25 \\sim
O26 \\sim S19: within 1.7A with sigma of 0.004 and sigma for terminal atoms of
0.08
C14 \\sim C15 \\sim S14: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008
Uanis(O14) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.02
Uanis(C22) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.02
Uanis(C67) \\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.2
5. Others
 Fixed Sof: Ag1(0.75) Ag1A(0.25) C6(0.5) H6(0.5) C5(0.5) C4(0.5) H4(0.5)
 C3(0.5) H3(0.5) C2(0.5) H2(0.5) H7A(0.5) H7B(0.5) C8(0.5) H8A(0.5) H8B(0.5)
 H8C(0.5) C17(0.5) H17(0.5) C18(0.5) H18(0.5) C19(0.5) H19(0.5) C20(0.5)
 H20(0.5) C21(0.5) H21(0.5) C16(0.5) H22A(0.5) H22B(0.5) C23(0.5) H23A(0.5)
 H23B(0.5) H23C(0.5) H68A(0.5) H68B(0.5) H68C(0.5) C62(0.5) H62(0.5) C63(0.5)
 H63(0.5) C64(0.5) H64(0.5) C59(0.5) C60(0.5) H60(0.5) C61(0.5) H61(0.5)
6.a Riding coordinates:
 C6(H6), C5(H5), C4(H4), C2(H2), C7(H7A,H7B), C9(H9A,H9B,H9C), C15(H15A,H15B,
 H15C), C22(H22A,H22B), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C37(H37A,H37B,
 H37C), C67(H67)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B), C14(H14A,H14B), C24(H24A,H24B), C27(H27A,
 H27B), C36(H36A,H36B), C38(H38A,H38B), C45(H45A,H45B), C66(H66A,H66B),
 C69(H69A,H69B)
6.c Me refined with riding coordinates:
 C8(H8A,H8B,H8C), C46(H46A,H46B,H46C), C68(H68A,H68B,H68C)
6.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C29(H29), C30(H30),
 C31(H31), C32(H32), C33(H33), C40(H40), C44(H44), C43(H43), C42(H42), C41(H41),
  C51(H51), C50(H50), C49(H49), C48(H48), C47(H47), C58(H58), C57(H57),
 C56(H56), C55(H55), C54(H54), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76),
  C62(H62), C63(H63), C64(H64), C60(H60), C61(H61), C79(H79), C78(H78),
 C81(H81), C80(H80), C82(H82)
6.e Fitted hexagon refined as free rotating group:
 C1(C6,C5,C4,C3,C2), C17(C18,C19,C20,C21,C16), C40(C39,C44,C43,C42,C41),
 C52(C51,C50,C49,C48,C47), C53(C58,C57,C56,C55,C54), C71(C72,C73,C74,C75,C76),
 C62(C63,C64,C59,C60,C61), C79(C78,C77,C81,C80,C82)
6.f Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C23(H23A,H23B,H23C), C35(H35A,H35B,H35C), C70(H70A,H70B,
 H70C), C65(H65A,H65B,H65C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.42984(15) 0.44201(10) 0.14999(18) 0.0591(6) Uani 0.75 1 d . . . . .
Ag1A Ag 0.4405(5) 0.4093(3) 0.1888(6) 0.072(3) Uani 0.25 1 d . . . . .
Ag2 Ag 0.52790(13) 0.5000 0.29903(15) 0.0434(5) Uani 1 2 d S T P . .
Ag3 Ag 0.61583(11) 0.55172(6) 0.45271(13) 0.0545(4) Uani 1 1 d . . . . .
Ag4 Ag 0.76709(11) 0.55721(6) 0.61088(12) 0.0542(4) Uani 1 1 d . . . . .
Ag5 Ag 0.83999(15) 0.5000 0.57540(16) 0.0513(6) Uani 1 2 d S T P . .
Ag6 Ag 0.84892(12) 0.55034(6) 0.45676(13) 0.0571(5) Uani 1 1 d . . . . .
Ag7 Ag 0.89057(10) 0.56260(6) 0.33663(12) 0.0510(4) Uani 1 1 d . . . . .
Ag8 Ag 0.83216(11) 0.59255(6) 0.15246(12) 0.0530(4) Uani 1 1 d . . . . .
Ag9 Ag 0.74333(15) 0.5000 0.05501(19) 0.0553(6) Uani 1 2 d S T P . .
Ag10 Ag 0.63715(10) 0.54770(6) -0.11747(12) 0.0513(4) Uani 1 1 d . . . . .
Ag11 Ag 0.47351(10) 0.54940(6) -0.20246(12) 0.0517(4) Uani 1 1 d . . . . .
Ag12 Ag 0.45398(14) 0.5000 -0.08256(17) 0.0557(6) Uani 1 2 d S T P . .
Ag13 Ag 0.40368(12) 0.58614(7) -0.02077(14) 0.0659(5) Uani 1 1 d . . . . .
Ag14 Ag 0.40351(14) 0.68533(6) -0.00954(16) 0.0678(6) Uani 1 1 d . . . . .
Ag15 Ag 0.45094(11) 0.68902(6) 0.17912(13) 0.0523(4) Uani 1 1 d . . . . .
Ag16 Ag 0.56852(11) 0.64327(5) 0.33289(12) 0.0520(4) Uani 1 1 d . . . . .
Ag17 Ag 0.79069(12) 0.63877(6) 0.45745(12) 0.0576(5) Uani 1 1 d . . . . .
Ag18 Ag 0.88418(11) 0.68369(6) 0.37565(13) 0.0550(5) Uani 1 1 d . . . . .
Ag19 Ag 0.82773(11) 0.68867(5) 0.17991(12) 0.0521(4) Uani 1 1 d . . . . .
Ag20 Ag 0.70691(10) 0.64094(5) 0.02982(11) 0.0491(4) Uani 1 1 d . . . . .
Ag21 Ag 0.47972(13) 0.64070(6) -0.06927(13) 0.0666(6) Uani 1 1 d . . . . .
Ag22 Ag 0.61038(12) 0.69227(7) 0.08091(14) 0.0646(5) Uani 1 1 d . . . . .
Ag23 Ag 0.53375(11) 0.74184(6) 0.13354(12) 0.0535(4) Uani 1 1 d . . . . .
Ag24 Ag 0.75055(11) 0.73433(5) 0.24258(12) 0.0494(4) Uani 1 1 d . . . . .
Ag25 Ag 0.67547(11) 0.69400(6) 0.30052(12) 0.0532(4) Uani 1 1 d . . . . .
C1 C 0.939(2) 0.5000 0.8946(16) 0.124(12) Uani 1 2 d S TU P . .
C6 C 0.919(2) 0.4894(17) 0.9452(19) 0.124(12) Uani 0.5 1 d G U . . .
H6 H 0.8807 0.4784 0.9274 0.149 Uiso 0.5 1 d R . . . .
C5 C 0.954(2) 0.505(2) 1.0284(18) 0.126(12) Uani 0.5 1 d G U . . .
H5 H 0.9366 0.5000 1.0623 0.151 Uiso 1 2 d RS T P . .
C4 C 1.008(2) 0.531(2) 1.0610(16) 0.126(12) Uani 0.5 1 d G U . . .
H4 H 1.0297 0.5541 1.1108 0.152 Uiso 0.5 1 d R . . . .
C3 C 1.028(2) 0.5414(19) 1.010(2) 0.127(12) Uani 0.5 1 d G U . . .
H3 H 1.0639 0.5588 1.0322 0.152 Uiso 0.5 1 calc R . . . .
C2 C 0.993(2) 0.5260(14) 0.927(2) 0.125(12) Uani 0.5 1 d G U . . .
H2 H 1.0113 0.5264 0.8935 0.150 Uiso 0.5 1 d R . . . .
C7 C 0.665(4) 0.5000 0.647(4) 0.111(18) Uiso 1 2 d DS T P . .
H7A H 0.6967 0.5153 0.6985 0.133 Uiso 0.5 1 d R . . . .
H7B H 0.6230 0.5129 0.6229 0.133 Uiso 0.5 1 d R . . . .
C8 C 0.660(6) 0.4504(10) 0.660(6) 0.13(3) Uiso 0.5 1 d D . . . .
H8A H 0.6634 0.4337 0.6220 0.189 Uiso 0.5 1 calc R . . . .
H8B H 0.6188 0.4445 0.6496 0.189 Uiso 0.5 1 calc R . . . .
H8C H 0.6940 0.4425 0.7181 0.189 Uiso 0.5 1 calc R . . . .
C9 C 0.492(3) 0.568(2) 0.436(2) 0.19(3) Uiso 1 1 d D . . . .
H9A H 0.4853 0.5374 0.4404 0.287 Uiso 1 1 d R . . . .
H9B H 0.4762 0.5847 0.4620 0.287 Uiso 1 1 d R . . . .
H9C H 0.5371 0.5733 0.4654 0.287 Uiso 1 1 d R . . . .
C10 C 0.4520(18) 0.5823(12) 0.342(2) 0.085(9) Uiso 1 1 d D . . . .
H10A H 0.4379 0.6124 0.3351 0.102 Uiso 1 1 calc R . . . .
H10B H 0.4145 0.5638 0.3057 0.102 Uiso 1 1 calc R . . . .
C11 C 0.292(2) 0.6389(14) 0.098(2) 0.110(10) Uiso 1 1 d D U . . .
H11A H 0.2477 0.6443 0.0760 0.165 Uiso 1 1 calc GR . . . .
H11B H 0.3188 0.6617 0.1372 0.165 Uiso 1 1 calc GR . . . .
H11C H 0.3055 0.6114 0.1276 0.165 Uiso 1 1 calc GR . . . .
C12 C 0.298(2) 0.6376(12) 0.024(2) 0.091(8) Uiso 1 1 d D U . . .
H12A H 0.2816 0.6645 -0.0080 0.109 Uiso 1 1 calc R . . . .
H12B H 0.2723 0.6137 -0.0141 0.109 Uiso 1 1 calc R . . . .
C14 C 0.3329(19) 0.5790(12) -0.237(3) 0.115(13) Uani 1 1 d . U . . .
H14A H 0.3270 0.5599 -0.2811 0.138 Uiso 1 1 calc R . . A 1
H14B H 0.3021 0.5707 -0.2263 0.138 Uiso 1 1 calc R . . A 1
C15 C 0.323(2) 0.6250(14) -0.265(3) 0.142(14) Uani 1 1 d . U . B 1
H15A H 0.3494 0.6362 -0.2083 0.213 Uiso 1 1 d R . . B 1
H15B H 0.2798 0.6203 -0.2826 0.213 Uiso 1 1 d R . . B 1
H15C H 0.3218 0.6455 -0.3033 0.213 Uiso 1 1 d R . . B 1
C17 C 0.2911(17) 0.5516(11) -0.542(2) 0.070(7) Uani 0.5 1 d . U . C -1
H17 H 0.2751 0.5705 -0.5216 0.084 Uiso 0.5 1 calc R . . C -1
C18 C 0.2786(17) 0.5593(10) -0.621(2) 0.071(7) Uani 0.5 1 d G U . C -1
H18 H 0.2543 0.5834 -0.6530 0.085 Uiso 0.5 1 calc R . . C -1
C19 C 0.3024(17) 0.5309(13) -0.6516(16) 0.071(7) Uani 0.5 1 d G U . C -1
H19 H 0.2941 0.5361 -0.7043 0.085 Uiso 0.5 1 calc R . . C -1
C20 C 0.3387(15) 0.4949(12) -0.6037(19) 0.073(7) Uani 0.5 1 d G U . C -1
H20 H 0.3546 0.4759 -0.6243 0.087 Uiso 0.5 1 calc R . . C -1
C21 C 0.3512(15) 0.4871(10) -0.5250(18) 0.071(7) Uani 0.5 1 d G U . C -1
H21 H 0.3755 0.4630 -0.4929 0.086 Uiso 0.5 1 calc R . . C -1
C16 C 0.3274(17) 0.5155(12) -0.4943(16) 0.070(7) Uani 0.5 1 d G U . C -1
C22 C 0.522(2) 0.5000 -0.330(3) 0.069(9) Uani 1 2 d S TU P . .
H22A H 0.4869 0.5199 -0.3658 0.083 Uiso 0.5 1 d R . . . .
H22B H 0.5584 0.5093 -0.3280 0.083 Uiso 0.5 1 d R . . . .
C23 C 0.508(3) 0.4522(19) -0.357(4) 0.068(9) Uani 0.5 1 d . U . . .
H23A H 0.4723 0.4422 -0.3582 0.102 Uiso 0.5 1 calc GR . . . .
H23B H 0.5456 0.4349 -0.3177 0.102 Uiso 0.5 1 calc GR . . . .
H23C H 0.4975 0.4493 -0.4133 0.102 Uiso 0.5 1 calc GR . . . .
C24 C 0.7941(15) 0.5802(10) -0.0366(17) 0.068(8) Uani 1 1 d . . . . .
H24A H 0.8061 0.6106 -0.0322 0.082 Uiso 1 1 calc R . . . .
H24B H 0.8335 0.5632 -0.0021 0.082 Uiso 1 1 calc R . . . .
C25 C 0.756(3) 0.5656(15) -0.129(3) 0.123(15) Uiso 1 1 d . . . . .
H25A H 0.7744 0.5806 -0.1537 0.184 Uiso 1 1 d R . . . .
H25B H 0.7111 0.5727 -0.1612 0.184 Uiso 1 1 d R . . . .
H25C H 0.7610 0.5348 -0.1318 0.184 Uiso 1 1 d R . . . .
C26 C 0.699(3) 0.7474(12) -0.039(2) 0.128(11) Uiso 1 1 d D U . . .
H26A H 0.6559 0.7454 -0.0911 0.192 Uiso 1 1 d R . . . .
H26B H 0.7198 0.7195 -0.0263 0.192 Uiso 1 1 d R . . . .
H26C H 0.7231 0.7686 -0.0455 0.192 Uiso 1 1 d R . . . .
C27 C 0.702(2) 0.7616(13) 0.039(2) 0.102(10) Uiso 1 1 d D U . . .
H27A H 0.6626 0.7771 0.0205 0.122 Uiso 1 1 calc R . . . .
H27B H 0.7385 0.7806 0.0755 0.122 Uiso 1 1 calc R . . . .
C29 C 0.630(2) 0.7026(15) -0.180(2) 0.142(8) Uiso 1 1 d D U . D 2
H29 H 0.6609 0.6807 -0.1513 0.170 Uiso 1 1 calc R . . D 2
C30 C 0.646(2) 0.7431(14) -0.1935(19) 0.143(8) Uiso 1 1 d D U . D 2
H30 H 0.6885 0.7492 -0.1739 0.172 Uiso 1 1 calc R . . D 2
C31 C 0.598(2) 0.7747(17) -0.237(2) 0.143(8) Uiso 1 1 d D U . D 2
H31 H 0.6090 0.8019 -0.2460 0.172 Uiso 1 1 calc R . . D 2
C32 C 0.534(2) 0.7679(19) -0.268(3) 0.142(8) Uiso 1 1 d D U . D 2
H32 H 0.5022 0.7892 -0.2972 0.170 Uiso 1 1 calc R . . D 2
C34 C 0.566(2) 0.6955(18) -0.211(2) 0.141(8) Uiso 1 1 d D U . . .
C33 C 0.522(3) 0.7289(19) -0.253(3) 0.140(8) Uiso 1 1 d . U . . .
H33 H 0.4799 0.7232 -0.2726 0.168 Uiso 1 1 calc R . . D 2
C35 C 0.4100(12) 0.7473(9) -0.1666(14) 0.056(6) Uani 1 1 d . . . . .
H35A H 0.4012 0.7705 -0.2052 0.084 Uiso 1 1 calc GR . . . .
H35B H 0.3774 0.7469 -0.1573 0.084 Uiso 1 1 calc GR . . . .
H35C H 0.4100 0.7200 -0.1906 0.084 Uiso 1 1 calc GR . . . .
C36 C 0.4732(12) 0.7542(6) -0.0857(14) 0.043(5) Uani 1 1 d . . . . .
H36A H 0.4735 0.7825 -0.0632 0.052 Uiso 1 1 calc R . . . .
H36B H 0.5058 0.7546 -0.0956 0.052 Uiso 1 1 calc R . . . .
C37 C 0.645(2) 0.7779(12) 0.397(2) 0.098(9) Uani 1 1 d . U . . .
H37A H 0.6483 0.8040 0.3726 0.146 Uiso 1 1 d R . . . .
H37B H 0.6756 0.7568 0.4051 0.146 Uiso 1 1 d R . . . .
H37C H 0.6529 0.7845 0.4502 0.146 Uiso 1 1 d R . . . .
C38 C 0.580(2) 0.7583(12) 0.336(2) 0.091(8) Uani 1 1 d . U . . .
H38A H 0.5512 0.7809 0.2958 0.109 Uiso 1 1 calc R . . . .
H38B H 0.5633 0.7500 0.3676 0.109 Uiso 1 1 calc R . . . .
C40 C 0.6081(16) 0.9032(11) 0.172(2) 0.148(9) Uiso 1 1 d . U . . .
H40 H 0.5794 0.9004 0.1864 0.177 Uiso 1 1 calc R . . . .
C39 C 0.6454(16) 0.8678(6) 0.1814(9) 0.146(9) Uiso 1 1 d DG U . . .
C44 C 0.6882(17) 0.8721(9) 0.161(2) 0.148(9) Uiso 1 1 d G U . . .
H44 H 0.7132 0.8484 0.1666 0.178 Uiso 1 1 calc R . . . .
C43 C 0.6937(18) 0.9117(13) 0.131(2) 0.153(9) Uiso 1 1 d G U . . .
H43 H 0.7224 0.9145 0.1170 0.183 Uiso 1 1 calc R . . . .
C42 C 0.6564(19) 0.9471(8) 0.1219(17) 0.153(9) Uiso 1 1 d G U . . .
H42 H 0.6601 0.9736 0.1020 0.184 Uiso 1 1 calc R . . . .
C41 C 0.6136(18) 0.9428(8) 0.143(2) 0.151(9) Uiso 1 1 d G U . . .
H41 H 0.5886 0.9665 0.1368 0.181 Uiso 1 1 calc R . . . .
C45 C 0.8123(15) 0.7496(10) 0.4566(13) 0.066(7) Uani 1 1 d D . . . .
H45A H 0.8382 0.7705 0.4516 0.079 Uiso 1 1 calc R . . . .
H45B H 0.7721 0.7639 0.4373 0.079 Uiso 1 1 calc R . . . .
C46 C 0.849(2) 0.7382(16) 0.5520(17) 0.124(15) Uiso 1 1 d D . . . .
H46A H 0.8300 0.7125 0.5573 0.186 Uiso 1 1 calc R . . . .
H46B H 0.8453 0.7620 0.5809 0.186 Uiso 1 1 calc R . . . .
H46C H 0.8935 0.7328 0.5770 0.186 Uiso 1 1 calc R . . . .
C52 C 0.9015(12) 0.8072(7) 0.3856(13) 0.085(2) Uani 1 1 d . U . . .
C51 C 0.9472(10) 0.8037(7) 0.4734(14) 0.092(3) Uani 1 1 d G U . . .
H51 H 0.9806 0.7836 0.4959 0.110 Uiso 1 1 calc R . . . .
C50 C 0.9429(10) 0.8303(7) 0.5274(10) 0.097(3) Uiso 1 1 d G U . . .
H50 H 0.9735 0.8280 0.5862 0.116 Uiso 1 1 calc R . . . .
C49 C 0.8929(12) 0.8604(6) 0.4937(12) 0.084(3) Uani 1 1 d G U . . .
H49 H 0.8901 0.8782 0.5299 0.101 Uiso 1 1 calc R . . . .
C48 C 0.8473(10) 0.8639(7) 0.4059(13) 0.089(3) Uani 1 1 d G U . . .
H48 H 0.8138 0.8841 0.3833 0.107 Uiso 1 1 calc R . . . .
C47 C 0.8515(10) 0.8373(8) 0.3518(10) 0.089(3) Uani 1 1 d G U . . .
H47 H 0.8210 0.8397 0.2931 0.106 Uiso 1 1 calc R . . . .
C53 C 1.0550(13) 0.6157(11) 0.602(2) 0.126(5) Uiso 1 1 d D U . . .
C58 C 1.0821(12) 0.6019(11) 0.5620(16) 0.138(6) Uiso 1 1 d DG U . . .
H58 H 1.0619 0.6086 0.5049 0.165 Uiso 1 1 calc R . . . .
C57 C 1.1394(12) 0.5782(11) 0.607(2) 0.147(7) Uiso 1 1 d G U . . .
H57 H 1.1575 0.5690 0.5803 0.176 Uiso 1 1 calc R . . . .
C56 C 1.1696(13) 0.5682(11) 0.693(2) 0.150(7) Uiso 1 1 d G U . . .
H56 H 1.2079 0.5524 0.7228 0.180 Uiso 1 1 calc R . . . .
C55 C 1.1425(18) 0.5820(12) 0.7327(16) 0.148(7) Uiso 1 1 d G U . . .
H55 H 1.1626 0.5753 0.7898 0.178 Uiso 1 1 calc R . . . .
C54 C 1.0852(18) 0.6057(12) 0.687(2) 0.140(6) Uiso 1 1 d G U . . .
H54 H 1.0670 0.6149 0.7144 0.168 Uiso 1 1 calc R . . . .
C66 C 0.981(2) 0.6348(12) 0.312(2) 0.091(10) Uiso 1 1 d D . . . .
H66A H 1.0029 0.6600 0.3483 0.109 Uiso 1 1 calc R . . . .
H66B H 1.0052 0.6090 0.3439 0.109 Uiso 1 1 calc R . . . .
C67 C 0.9956(17) 0.5000 0.5272(19) 0.051(7) Uani 1 2 d S TU P . .
H67 H 1.0179 0.4744 0.5278 0.061 Uiso 1 1 d R . . . .
C68 C 0.995(2) 0.5000 0.605(2) 0.078(12) Uani 1 2 d S TU P . .
H68A H 1.0388 0.5013 0.6558 0.117 Uiso 0.5 1 calc R . . E -1
H68B H 0.9749 0.4738 0.6052 0.117 Uiso 0.5 1 calc R . . E -1
H68C H 0.9715 0.5249 0.6025 0.117 Uiso 0.5 1 calc R . . E -1
C69 C 0.9152(14) 0.5978(9) 0.6596(15) 0.067(8) Uani 1 1 d . . . . .
H69A H 0.9364 0.5742 0.7005 0.081 Uiso 1 1 calc R . . . .
H69B H 0.9426 0.6066 0.6433 0.081 Uiso 1 1 calc R . . . .
C70 C 0.903(2) 0.6380(13) 0.7009(19) 0.116(17) Uani 1 1 d . . . . .
H70A H 0.8581 0.6450 0.6663 0.174 Uiso 1 1 calc GR . . . .
H70B H 0.9273 0.6629 0.7038 0.174 Uiso 1 1 calc GR . . . .
H70C H 0.9175 0.6304 0.7573 0.174 Uiso 1 1 calc GR . . . .
C71 C 0.6814(13) 0.7046(6) 0.5735(16) 0.096(6) Uiso 1 1 d . U . . .
C72 C 0.6197(11) 0.7217(8) 0.5332(15) 0.103(6) Uiso 1 1 d G U . F 2
H72 H 0.5837 0.7045 0.4955 0.124 Uiso 1 1 calc R . . F 2
C73 C 0.6117(10) 0.7644(8) 0.5490(16) 0.107(6) Uiso 1 1 d G U . F 2
H73 H 0.5704 0.7758 0.5220 0.128 Uiso 1 1 calc R . . F 2
C74 C 0.6656(13) 0.7900(6) 0.6052(16) 0.104(6) Uiso 1 1 d G U . F 2
H74 H 0.6603 0.8186 0.6159 0.124 Uiso 1 1 calc R . . F 2
C75 C 0.7273(11) 0.7729(7) 0.6456(14) 0.099(6) Uiso 1 1 d G U . F .
H75 H 0.7634 0.7901 0.6832 0.119 Uiso 1 1 calc R . . G 2
C76 C 0.7353(10) 0.7302(8) 0.6297(15) 0.095(6) Uiso 1 1 d G U . F .
H76 H 0.7766 0.7188 0.6567 0.115 Uiso 1 1 calc R . . . .
O1 O 0.7724(7) 0.6343(4) 0.2498(9) 0.039(3) Uani 1 1 d . . . . .
O2 O 0.7340(7) 0.5869(4) 0.3300(8) 0.039(3) Uani 1 1 d . . . . .
O3 O 0.6810(6) 0.5884(4) 0.1104(7) 0.033(3) Uani 1 1 d . . . . .
O4 O 0.6460(7) 0.6345(4) 0.1927(9) 0.036(3) Uani 1 1 d . . . . .
O5 O 0.7677(7) 0.4558(4) 0.2473(8) 0.034(3) Uani 1 1 d . . . . .
O6 O 0.6765(9) 0.5000 0.1042(10) 0.030(4) Uani 1 2 d S T P . .
O7 O 0.5878(7) 0.5495(4) -0.0397(8) 0.037(3) Uani 1 1 d . . . . .
O8 O 0.5566(7) 0.5890(4) 0.0528(8) 0.034(3) Uani 1 1 d . . . . .
O9 O 0.5611(9) 0.5000 0.0536(12) 0.033(4) Uani 1 2 d S T P . .
O10 O 0.5224(7) 0.6373(4) 0.1353(9) 0.038(3) Uani 1 1 d . . . . .
O11 O 0.6102(7) 0.5890(4) 0.2719(8) 0.035(3) Uani 1 1 d . . . . .
O12 O 0.5227(7) 0.4552(4) 0.1363(8) 0.035(3) Uani 1 1 d . . . . .
O13 O 0.6140(9) 0.5000 0.2769(10) 0.030(4) Uani 1 2 d S T P . .
O14 O 0.6456(6) 0.4560(3) 0.1914(7) 0.026(2) Uani 1 1 d . U . . .
O15 O 0.7295(9) 0.5000 0.3312(10) 0.031(4) Uani 1 2 d S T P . .
O16 O 0.6994(7) 0.5501(4) 0.4223(8) 0.036(3) Uani 1 1 d . . . . .
O19 O 0.9904(13) 0.6731(8) 0.5050(16) 0.096(4) Uiso 1 1 d . U . . .
O20 O 0.9380(13) 0.6092(8) 0.4958(15) 0.091(6) Uiso 1 1 d . U . . .
O21 O 0.9741(15) 0.6624(11) 0.599(2) 0.149(8) Uiso 1 1 d D U . . .
O22 O 0.9152(13) 0.5000 0.7460(13) 0.066(7) Uani 1 2 d S T P . .
O23 O 0.8416(10) 0.5381(7) 0.7622(12) 0.072(5) Uani 1 1 d . . . . .
O24 O 0.7073(10) 0.6606(6) 0.4844(12) 0.070(3) Uani 1 1 d . U . . .
O25 O 0.7395(10) 0.6307(5) 0.6197(11) 0.060(3) Uani 1 1 d . U . . .
O26 O 0.6308(10) 0.6323(5) 0.4962(12) 0.064(3) Uani 1 1 d . U . . .
O27 O 0.9311(12) 0.8142(7) 0.2844(13) 0.076(2) Uani 1 1 d . U . . .
O28 O 0.9367(10) 0.7397(7) 0.3475(13) 0.084(3) Uani 1 1 d D U . . .
O29 O 0.8395(10) 0.7723(7) 0.2372(13) 0.093(4) Uani 1 1 d D U . . .
O30 O 0.6167(11) 0.6262(7) -0.1256(12) 0.081(3) Uani 1 1 d . U . . .
O31 O 0.5545(11) 0.6638(7) -0.1040(12) 0.080(3) Uani 1 1 d . U . . .
O32 O 0.4992(13) 0.6268(8) -0.2334(14) 0.098(6) Uani 1 1 d . U . . .
O33 O 0.3822(12) 0.5412(12) -0.3516(13) 0.118(6) Uani 1 1 d . U . . .
O34 O 0.2780(18) 0.5000 -0.4138(19) 0.131(16) Uani 1 2 d S TU P C .
O37 O 0.700(3) 0.8162(15) 0.318(3) 0.182(16) Uiso 1 1 d . U . . .
O38 O 0.6582(18) 0.7812(11) 0.183(2) 0.128(5) Uiso 1 1 d . U . . .
O39 O 0.5751(18) 0.8108(10) 0.186(2) 0.125(5) Uiso 1 1 d . U . . .
O40A O 0.4242(7) 0.7666(6) 0.1160(9) 0.089(4) Uiso 1 1 d D U . H 2
O41A O 0.3235(9) 0.8013(6) 0.0545(13) 0.089(4) Uiso 1 1 d D U . H 2
O42A O 0.3311(10) 0.7425(6) -0.0164(11) 0.088(4) Uiso 1 1 d D U . H 2
S1A S 0.3641(4) 0.7783(3) 0.0379(5) 0.0804(19) Uiso 1 1 d D U . H 2
S2 S 0.3830(3) 0.63023(19) 0.0673(4) 0.0487(13) Uani 1 1 d . U . . .
S3 S 0.5100(3) 0.57614(18) 0.3165(5) 0.0572(15) Uani 1 1 d . . . . .
S4 S 0.6842(5) 0.5000 0.5704(5) 0.0522(19) Uani 1 2 d S T P . .
S5 S 0.8364(3) 0.57982(17) 0.5657(3) 0.0456(12) Uani 1 1 d . . . . .
S6 S 0.9084(4) 0.5000 0.4265(4) 0.0398(15) Uani 1 2 d S T P . .
S7 S 0.9030(3) 0.63145(17) 0.2866(3) 0.0451(12) Uani 1 1 d . . . . .
S8 S 0.7934(3) 0.70419(18) 0.3851(4) 0.0479(13) Uani 1 1 d . . . . .
S9 S 0.5724(3) 0.71150(17) 0.2743(4) 0.0477(13) Uani 1 1 d . . . . .
S10 S 0.4942(3) 0.71268(18) -0.0067(4) 0.0492(13) Uani 1 1 d . . . . .
S11 S 0.7097(4) 0.70920(19) 0.0963(4) 0.0545(15) Uani 1 1 d D U . . .
S12 S 0.7464(3) 0.5735(2) 0.0046(4) 0.0536(15) Uani 1 1 d . . . . .
S13 S 0.5446(4) 0.5000 -0.2172(4) 0.0400(15) Uani 1 2 d S T P . .
S14 S 0.4189(3) 0.57419(19) -0.1357(3) 0.0494(13) Uani 1 1 d . U . . .
S15 S 0.3432(7) 0.5000 -0.3949(7) 0.113(5) Uani 1 2 d S TU P . .
S16 S 0.5522(4) 0.6489(2) -0.1721(4) 0.0734(18) Uani 1 1 d . U . . .
S17 S 0.6461(7) 0.8157(4) 0.2172(8) 0.120(3) Uiso 1 1 d D U . . .
S18 S 0.8796(5) 0.5000 0.7807(5) 0.065(3) Uani 1 2 d S T P . .
S19 S 0.6921(4) 0.65303(19) 0.5425(4) 0.0580(14) Uani 1 1 d . U . . .
S20 S 0.9895(6) 0.6386(3) 0.5481(7) 0.097(2) Uiso 1 1 d D U . . .
S21 S 0.8968(5) 0.7846(3) 0.3040(5) 0.0774(16) Uani 1 1 d . U . . .
V1 V 0.67691(17) 0.55005(10) 0.32537(19) 0.0316(7) Uani 1 1 d . . . . .
V2 V 0.7215(2) 0.5000 0.2264(3) 0.0290(9) Uani 1 2 d S T P . .
V3 V 0.71738(17) 0.59964(10) 0.2251(2) 0.0330(7) Uani 1 1 d . . . . .
V4 V 0.61390(17) 0.55056(9) 0.05819(19) 0.0311(7) Uani 1 1 d . . . . .
V5 V 0.5687(2) 0.5000 0.1558(3) 0.0301(9) Uani 1 2 d S T P . .
V6 V 0.57551(17) 0.60023(10) 0.1596(2) 0.0326(7) Uani 1 1 d . . . . .
C13 C 0.3307(15) 0.5000 -0.061(3) 0.102(7) Uani 1 2 d DS TU P . .
O35 O 0.3032(11) 0.5356(6) -0.0946(17) 0.103(7) Uani 1 1 d D U . . .
O36 O 0.3894(13) 0.5000 -0.001(2) 0.100(8) Uani 1 2 d DS TU P . .
C62 C 1.1284(12) 0.5233(16) 0.4093(18) 0.078(7) Uani 0.5 1 d . U . I -1
H62 H 1.1718 0.5282 0.4534 0.094 Uiso 0.5 1 calc R . . I -1
C63 C 1.1016(16) 0.5400(13) 0.329(2) 0.077(7) Uani 0.5 1 d G U . I -1
H63 H 1.1272 0.5560 0.3185 0.092 Uiso 0.5 1 calc R . . I -1
C64 C 1.0368(16) 0.5328(13) 0.2627(18) 0.075(7) Uani 0.5 1 d G U . I -1
H64 H 1.0189 0.5439 0.2087 0.091 Uiso 0.5 1 calc R . . I -1
C59 C 0.9986(11) 0.5089(14) 0.2778(16) 0.076(7) Uani 0.5 1 d G U . I -1
C60 C 1.0254(13) 0.4922(15) 0.3586(19) 0.076(7) Uani 0.5 1 d G U . I -1
H60 H 0.9999 0.4762 0.3686 0.091 Uiso 0.5 1 calc R . . I -1
C61 C 1.0902(14) 0.4994(18) 0.4244(15) 0.080(7) Uani 0.5 1 d G U . I -1
H61 H 1.1081 0.4883 0.4785 0.096 Uiso 0.5 1 calc R . . I -1
O17 O 0.9089(14) 0.5373(7) 0.1505(17) 0.093(8) Uani 1 1 d . . . . .
O18 O 0.8812(12) 0.5000 0.2263(15) 0.050(5) Uani 1 2 d S T P I .
S22 S 0.9167(4) 0.5000 0.1922(5) 0.0486(18) Uani 1 2 d S T P . .
C79 C 0.4396(10) 0.8659(7) -0.0300(15) 0.098(6) Uani 1 1 d . U . . .
H79 H 0.4782 0.8813 -0.0006 0.117 Uiso 1 1 calc R . . . .
C78 C 0.4271(11) 0.8371(7) 0.0135(10) 0.093(5) Uani 1 1 d G U . . .
H78 H 0.4573 0.8332 0.0719 0.112 Uiso 1 1 calc R . . . .
C77 C 0.3693(11) 0.8139(6) -0.0305(12) 0.084(5) Uani 1 1 d DG U . . .
C81 C 0.3240(10) 0.8196(6) -0.1179(12) 0.091(5) Uani 1 1 d G U . . .
H81 H 0.2853 0.8042 -0.1473 0.109 Uiso 1 1 calc R . . . .
C80 C 0.3365(12) 0.8484(7) -0.1614(10) 0.093(5) Uani 1 1 d G U . . .
H80 H 0.3062 0.8523 -0.2198 0.111 Uiso 1 1 calc R . . . .
C82 C 0.3943(13) 0.8716(6) -0.1174(15) 0.096(6) Uani 1 1 d G U . . .
H82 H 0.4027 0.8909 -0.1465 0.116 Uiso 1 1 calc R . . . .
C65 C 0.977(3) 0.6386(19) 0.231(3) 0.147(19) Uiso 1 1 d D . . . .
H65A H 0.9336 0.6440 0.1824 0.221 Uiso 1 1 calc GR . . . .
H65B H 0.9923 0.6119 0.2220 0.221 Uiso 1 1 calc GR . . . .
H65C H 1.0044 0.6622 0.2369 0.221 Uiso 1 1 calc GR . . . .


_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 Ag1A 1.187(11) . ?
Ag1 Ag2 3.042(3) . ?
Ag1 Ag13 3.106(3) 2_565 ?
Ag1 O12 2.590(14) . ?
Ag1 S2 2.580(6) 2_565 ?
Ag1 S3 2.673(8) 2_565 ?
Ag1A Ag15 3.044(10) 2_565 ?
Ag1A Ag16 3.214(10) 2_565 ?
Ag1A S2 2.259(10) 2_565 ?
Ag1A S3 2.074(11) 2_565 ?
Ag2 Ag1 3.042(3) 2_565 ?
Ag2 Ag3 2.925(3) 2_565 ?
Ag2 Ag3 2.925(3) . ?
Ag2 O13 2.499(19) . ?
Ag2 S3 2.444(6) . ?
Ag2 S3 2.444(6) 2_565 ?
Ag3 Ag3 3.174(3) 2_565 ?
Ag3 Ag4 3.225(3) . ?
Ag3 O16 2.551(15) . ?
Ag3 O26 2.569(16) . ?
Ag3 S3 2.535(7) . ?
Ag3 S4 2.465(7) . ?
Ag4 Ag5 2.939(3) . ?
Ag4 O23 2.45(2) . ?
Ag4 O25 2.400(16) . ?
Ag4 S4 2.500(7) . ?
Ag4 S5 2.514(6) . ?
Ag5 Ag4 2.939(3) 2_565 ?
Ag5 Ag6 2.906(3) 2_565 ?
Ag5 Ag6 2.906(3) . ?
Ag5 S5 2.454(5) 2_565 ?
Ag5 S5 2.454(5) . ?
Ag6 Ag6 3.089(4) 2_565 ?
Ag6 Ag7 3.129(3) . ?
Ag6 Ag17 3.104(3) . ?
Ag6 S5 2.504(6) . ?
Ag6 S6 2.481(6) . ?
Ag7 Ag8 3.098(2) . ?
Ag7 S6 2.454(5) . ?
Ag7 S7 2.427(5) . ?
Ag8 Ag19 3.012(2) . ?
Ag8 Ag20 3.023(3) . ?
Ag8 S7 2.433(6) . ?
Ag8 S12 2.442(6) . ?
Ag9 Ag10 3.160(3) . ?
Ag9 Ag10 3.160(3) 2_565 ?
Ag9 O6 2.420(17) . ?
Ag9 S12 2.480(6) . ?
Ag9 S12 2.480(6) 2_565 ?
Ag10 Ag10 2.927(4) 2_565 ?
Ag10 O7 2.496(14) . ?
Ag10 O30 2.45(2) . ?
Ag10 S12 2.495(6) . ?
Ag10 S13 2.466(6) . ?
Ag11 Ag11 3.031(4) 2_565 ?
Ag11 Ag12 3.072(3) . ?
Ag11 O33 2.43(2) . ?
Ag11 S13 2.522(6) . ?
Ag11 S14 2.537(6) . ?
Ag12 Ag11 3.072(3) 2_565 ?
Ag12 O9 2.437(19) . ?
Ag12 S14 2.441(6) 2_565 ?
Ag12 S14 2.441(6) . ?
Ag13 Ag1 3.106(3) 2_565 ?
Ag13 Ag14 3.051(3) . ?
Ag13 Ag21 3.122(3) . ?
Ag13 S2 2.483(6) . ?
Ag13 S14 2.525(6) . ?
Ag13 O35 2.60(3) . ?
Ag14 Ag15 3.117(3) . ?
Ag14 Ag21 3.133(3) . ?
Ag14 Ag23 3.301(3) . ?
Ag14 O42A 2.504(19) . ?
Ag14 S2 2.517(6) . ?
Ag14 S10 2.451(7) . ?
Ag15 Ag1A 3.044(10) 2_565 ?
Ag15 Ag16 3.053(3) . ?
Ag15 Ag23 3.198(3) . ?
Ag15 O27 2.397(18) 4_465 ?
Ag15 O40A 2.579(17) . ?
Ag15 S2 2.556(6) . ?
Ag15 S9 2.604(7) . ?
Ag16 Ag1A 3.214(10) 2_565 ?
Ag16 O26 2.600(18) . ?
Ag16 S3 2.457(6) . ?
Ag16 S9 2.416(6) . ?
Ag17 Ag25 3.199(3) . ?
Ag17 O2 2.556(13) . ?
Ag17 O24 2.59(2) . ?
Ag17 S5 2.483(6) . ?
Ag17 S8 2.479(6) . ?
Ag18 Ag19 3.182(3) . ?
Ag18 Ag24 3.217(3) . ?
Ag18 O19 2.39(3) . ?
Ag18 O28 2.45(2) . ?
Ag18 S7 2.614(6) . ?
Ag18 S8 2.531(7) . ?
Ag19 Ag20 3.090(3) . ?
Ag19 Ag24 3.211(3) . ?
Ag19 O41A 2.406(18) 4_565 ?
Ag19 S7 2.523(6) . ?
Ag19 S11 2.526(7) . ?
Ag20 O30 2.531(19) . ?
Ag20 S11 2.442(6) . ?
Ag20 S12 2.482(7) . ?
Ag21 Ag22 3.266(3) . ?
Ag21 O8 2.548(13) . ?
Ag21 O31 2.50(2) . ?
Ag21 S10 2.443(6) . ?
Ag21 S14 2.424(7) . ?
Ag22 Ag23 3.112(3) . ?
Ag22 Ag24 3.329(3) . ?
Ag22 O4 2.522(13) . ?
Ag22 S10 2.484(7) . ?
Ag22 S11 2.448(8) . ?
Ag23 O39 2.32(3) . ?
Ag23 S9 2.481(6) . ?
Ag23 S10 2.452(6) . ?
Ag24 Ag25 3.026(3) . ?
Ag24 O38 2.40(4) . ?
Ag24 S8 2.482(6) . ?
Ag24 S11 2.507(6) . ?
Ag25 O4 2.536(12) . ?
Ag25 S8 2.464(7) . ?
Ag25 S9 2.445(7) . ?
C1 C6 1.39(2) 2_565 ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C1 C2 1.39(5) 2_565 ?
C1 S18 1.80(3) . ?
C6 C6 0.65(10) 2_565 ?
C6 C5 1.3900 . ?
C6 C5 1.32(2) 2_565 ?
C5 C6 1.320(14) 2_565 ?
C5 C5 0.29(15) 2_565 ?
C5 C4 1.3900 . ?
C5 C4 1.58(10) 2_565 ?
C4 C5 1.58(11) 2_565 ?
C4 C4 1.89(14) 2_565 ?
C4 C3 1.3900 . ?
C3 C2 1.3900 . ?
C2 C2 1.60(9) 2_565 ?
C7 C8 1.561(13) . ?
C7 C8 1.561(13) 2_565 ?
C7 S4 1.85(6) . ?
C9 C10 1.550(13) . ?
C10 S3 1.84(4) . ?
C11 C12 1.545(13) . ?
C12 S2 1.83(4) . ?
C14 C15 1.48(5) . ?
C14 S14 1.90(3) . ?
C17 C18 1.3900 . ?
C17 C16 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C16 1.3900 . ?
C16 S15 1.79(3) . ?
C22 C23 1.53(6) . ?
C22 C23 1.53(6) 2_565 ?
C22 S13 1.91(4) . ?
C24 C25 1.53(5) . ?
C24 S12 1.84(3) . ?
C26 C27 1.540(13) . ?
C27 S11 1.90(4) . ?
C29 C30 1.388(13) . ?
C29 C34 1.386(13) . ?
C30 C31 1.399(13) . ?
C31 C32 1.389(13) . ?
C32 C33 1.31(7) . ?
C34 C33 1.38(7) . ?
C34 S16 1.75(6) . ?
C35 C36 1.46(3) . ?
C36 S10 1.82(2) . ?
C37 C38 1.49(5) . ?
C38 S9 1.81(3) . ?
C40 C39 1.3900 . ?
C40 C41 1.3900 . ?
C39 C44 1.3900 . ?
C39 S17 1.740(12) . ?
C44 C43 1.3900 . ?
C43 C42 1.3900 . ?
C42 C41 1.3900 . ?
C45 C46 1.546(13) . ?
C45 S8 1.82(3) . ?
C52 C51 1.3900 . ?
C52 C47 1.3900 . ?
C52 S21 1.676(17) . ?
C51 C50 1.3900 . ?
C50 C49 1.3900 . ?
C49 C48 1.3900 . ?
C48 C47 1.3900 . ?
C53 C58 1.3900 . ?
C53 C54 1.3900 . ?
C53 S20 1.53(2) . ?
C58 C57 1.3900 . ?
C57 C56 1.3900 . ?
C56 C55 1.3900 . ?
C55 C54 1.3900 . ?
C66 S7 1.75(4) . ?
C66 C65 1.550(13) . ?
C67 C68 1.52(5) . ?
C67 S6 1.91(3) . ?
C69 C70 1.60(5) . ?
C69 S5 1.83(3) . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C71 S19 1.772(19) . ?
C72 C73 1.3900 . ?
C73 C74 1.3900 . ?
C74 C75 1.3900 . ?
C75 C76 1.3900 . ?
O1 V3 1.599(14) . ?
O2 V1 1.814(14) . ?
O2 V3 1.868(13) . ?
O3 V3 1.874(12) . ?
O3 V4 1.809(13) . ?
O4 V3 1.881(15) . ?
O4 V6 1.850(14) . ?
O5 V2 1.688(13) . ?
O5 V3 2.022(13) 2_565 ?
O6 V2 1.935(16) . ?
O6 V4 2.021(12) 2_565 ?
O6 V4 2.021(12) . ?
O7 V4 1.605(13) . ?
O8 V4 1.841(13) . ?
O8 V6 1.870(12) . ?
O9 V4 2.029(13) 2_565 ?
O9 V4 2.029(13) . ?
O9 V5 1.886(18) . ?
O10 V6 1.616(13) . ?
O11 V1 1.825(14) . ?
O11 V6 1.843(12) . ?
O12 V5 1.703(13) . ?
O12 V6 2.053(14) 2_565 ?
O13 V1 2.013(12) 2_565 ?
O13 V1 2.013(12) . ?
O13 V5 1.915(16) . ?
O14 V1 2.240(11) 2_565 ?
O14 V2 2.124(12) . ?
O14 V3 2.306(12) 2_565 ?
O14 V4 2.223(11) 2_565 ?
O14 V5 2.142(13) . ?
O14 V6 2.299(12) 2_565 ?
O15 V1 2.005(13) 2_565 ?
O15 V1 2.005(13) . ?
O15 V2 1.930(16) . ?
O16 V1 1.617(13) . ?
O19 S20 1.36(3) . ?
O20 S20 1.41(3) . ?
O21 S20 1.46(2) . ?
O22 S18 1.43(3) . ?
O23 S18 1.43(2) . ?
O24 S19 1.42(2) . ?
O25 S19 1.429(19) . ?
O26 S19 1.42(2) . ?
O27 Ag15 2.397(18) 4_565 ?
O27 S21 1.469(19) . ?
O28 S21 1.62(2) . ?
O29 S21 1.31(2) . ?
O30 S16 1.51(3) . ?
O31 S16 1.38(2) . ?
O32 S16 1.34(2) . ?
O33 S15 1.52(3) . ?
O34 S15 1.49(4) . ?
O37 S17 1.59(5) . ?
O38 S17 1.38(3) . ?
O39 S17 1.55(4) . ?
O40A S1A 1.426(10) . ?
O41A Ag19 2.406(18) 4_465 ?
O41A S1A 1.450(11) . ?
O42A S1A 1.407(17) . ?
S1A C77 1.791(16) . ?
S2 Ag1 2.580(6) 2_565 ?
S2 Ag1A 2.259(10) 2_565 ?
S3 Ag1 2.673(8) 2_565 ?
S3 Ag1A 2.074(11) 2_565 ?
S4 Ag3 2.465(7) 2_565 ?
S4 Ag4 2.500(7) 2_565 ?
S6 Ag6 2.481(6) 2_565 ?
S6 Ag7 2.454(5) 2_565 ?
S13 Ag10 2.466(6) 2_565 ?
S13 Ag11 2.522(6) 2_565 ?
S15 O33 1.52(3) 2_565 ?
S18 O23 1.43(2) 2_565 ?
V1 O14 2.240(11) 2_565 ?
V1 V1 3.071(6) 2_565 ?
V1 V3 3.110(4) . ?
V1 V6 3.098(4) . ?
V2 O5 1.688(13) 2_565 ?
V2 O14 2.124(12) 2_565 ?
V2 V3 3.058(3) 2_565 ?
V2 V3 3.058(3) . ?
V3 O5 2.022(13) 2_565 ?
V3 O14 2.306(12) 2_565 ?
V3 V4 3.105(4) . ?
V3 V6 3.068(5) . ?
V4 O14 2.223(11) 2_565 ?
V4 V4 3.102(6) 2_565 ?
V4 V6 3.091(4) . ?
V5 O12 1.703(13) 2_565 ?
V5 O14 2.141(13) 2_565 ?
V5 V6 3.079(3) . ?
V5 V6 3.079(3) 2_565 ?
V6 O12 2.053(14) 2_565 ?
V6 O14 2.299(12) 2_565 ?
C13 O35 1.254(12) . ?
C13 O35 1.254(12) 2_565 ?
C13 O36 1.245(13) . ?
C62 C63 1.3900 . ?
C62 C61 1.3900 . ?
C63 C64 1.3900 . ?
C64 C59 1.3900 . ?
C59 C60 1.3900 . ?
C59 S22 1.77(2) . ?
C60 C61 1.3900 . ?
O17 S22 1.35(2) . ?
O18 S22 1.42(2) . ?
S22 O17 1.35(2) 2_565 ?
C79 C78 1.3900 . ?
C79 C82 1.3900 . ?
C78 C77 1.3900 . ?
C77 C81 1.3900 . ?
C81 C80 1.3900 . ?
C80 C82 1.3900 . ?

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
Ag1A Ag1 Ag2 98.0(4) . . ?
Ag1A Ag1 Ag13 105.6(4) . 2_565 ?
Ag1A Ag1 O12 108.7(6) . . ?
Ag1A Ag1 S2 61.1(4) . 2_565 ?
Ag1A Ag1 S3 47.9(4) . 2_565 ?
Ag2 Ag1 Ag13 135.68(11) . 2_565 ?
O12 Ag1 Ag2 73.5(3) . . ?
O12 Ag1 Ag13 63.6(3) . 2_565 ?
O12 Ag1 S3 93.8(3) . 2_565 ?
S2 Ag1 Ag2 155.99(19) 2_565 . ?
S2 Ag1 Ag13 50.77(14) 2_565 2_565 ?
S2 Ag1 O12 100.7(3) 2_565 . ?
S2 Ag1 S3 108.5(2) 2_565 2_565 ?
S3 Ag1 Ag2 50.13(13) 2_565 . ?
S3 Ag1 Ag13 139.85(18) 2_565 2_565 ?
Ag1 Ag1A Ag15 142.5(5) . 2_565 ?
Ag1 Ag1A Ag16 135.2(7) . 2_565 ?
Ag1 Ag1A S2 91.5(5) . 2_565 ?
Ag1 Ag1A S3 106.9(6) . 2_565 ?
Ag15 Ag1A Ag16 58.32(19) 2_565 2_565 ?
S2 Ag1A Ag15 55.3(3) 2_565 2_565 ?
S2 Ag1A Ag16 109.8(4) 2_565 2_565 ?
S3 Ag1A Ag15 104.1(4) 2_565 2_565 ?
S3 Ag1A Ag16 49.9(3) 2_565 2_565 ?
S3 Ag1A S2 159.1(6) 2_565 2_565 ?
Ag1 Ag2 Ag1 71.58(14) 2_565 . ?
Ag3 Ag2 Ag1 173.13(11) 2_565 2_565 ?
Ag3 Ag2 Ag1 173.13(11) . . ?
Ag3 Ag2 Ag1 110.99(7) . 2_565 ?
Ag3 Ag2 Ag1 110.99(7) 2_565 . ?
Ag3 Ag2 Ag3 65.71(9) . 2_565 ?
O13 Ag2 Ag1 98.7(3) . 2_565 ?
O13 Ag2 Ag1 98.7(3) . . ?
O13 Ag2 Ag3 87.3(3) . . ?
O13 Ag2 Ag3 87.3(3) . 2_565 ?
S3 Ag2 Ag1 57.07(19) 2_565 . ?
S3 Ag2 Ag1 57.07(19) . 2_565 ?
S3 Ag2 Ag1 125.1(2) 2_565 2_565 ?
S3 Ag2 Ag1 125.1(2) . . ?
S3 Ag2 Ag3 118.1(2) . 2_565 ?
S3 Ag2 Ag3 55.48(18) . . ?
S3 Ag2 Ag3 118.1(2) 2_565 . ?
S3 Ag2 Ag3 55.48(18) 2_565 2_565 ?
S3 Ag2 O13 106.52(16) 2_565 . ?
S3 Ag2 O13 106.53(16) . . ?
S3 Ag2 S3 145.8(3) . 2_565 ?
Ag2 Ag3 Ag3 57.15(4) . 2_565 ?
Ag2 Ag3 Ag4 139.98(8) . . ?
Ag3 Ag3 Ag4 93.00(4) 2_565 . ?
O16 Ag3 Ag2 89.7(3) . . ?
O16 Ag3 Ag3 88.9(3) . 2_565 ?
O16 Ag3 Ag4 61.3(3) . . ?
O16 Ag3 O26 96.6(5) . . ?
O26 Ag3 Ag2 137.2(4) . . ?
O26 Ag3 Ag3 164.4(4) . 2_565 ?
O26 Ag3 Ag4 77.0(4) . . ?
S3 Ag3 Ag2 52.59(14) . . ?
S3 Ag3 Ag3 107.20(14) . 2_565 ?
S3 Ag3 Ag4 156.80(16) . . ?
S3 Ag3 O16 106.8(3) . . ?
S3 Ag3 O26 85.3(4) . . ?
S4 Ag3 Ag2 107.07(15) . . ?
S4 Ag3 Ag3 49.93(14) . 2_565 ?
S4 Ag3 Ag4 49.97(19) . . ?
S4 Ag3 O16 88.4(4) . . ?
S4 Ag3 O26 115.4(4) . . ?
S4 Ag3 S3 153.2(2) . . ?
Ag5 Ag4 Ag3 108.63(8) . . ?
O23 Ag4 Ag3 140.7(5) . . ?
O23 Ag4 Ag5 89.4(4) . . ?
O23 Ag4 S4 97.0(5) . . ?
O23 Ag4 S5 106.2(5) . . ?
O25 Ag4 Ag3 83.0(5) . . ?
O25 Ag4 Ag5 146.7(5) . . ?
O25 Ag4 O23 101.0(6) . . ?
O25 Ag4 S4 116.6(5) . . ?
O25 Ag4 S5 94.0(5) . . ?
S4 Ag4 Ag3 49.01(18) . . ?
S4 Ag4 Ag5 92.92(17) . . ?
S4 Ag4 S5 137.2(2) . . ?
S5 Ag4 Ag3 112.53(14) . . ?
S5 Ag4 Ag5 52.79(13) . . ?
Ag4 Ag5 Ag4 73.35(10) . 2_565 ?
Ag6 Ag5 Ag4 150.55(12) . 2_565 ?
Ag6 Ag5 Ag4 103.64(6) 2_565 2_565 ?
Ag6 Ag5 Ag4 103.64(6) . . ?
Ag6 Ag5 Ag4 150.55(12) 2_565 . ?
Ag6 Ag5 Ag6 64.22(9) . 2_565 ?
S5 Ag5 Ag4 127.89(18) 2_565 . ?
S5 Ag5 Ag4 127.89(18) . 2_565 ?
S5 Ag5 Ag4 54.69(15) . . ?
S5 Ag5 Ag4 54.68(15) 2_565 2_565 ?
S5 Ag5 Ag6 119.11(15) 2_565 . ?
S5 Ag5 Ag6 119.11(15) . 2_565 ?
S5 Ag5 Ag6 54.93(14) . . ?
S5 Ag5 Ag6 54.93(14) 2_565 2_565 ?
S5 Ag5 S5 172.9(3) 2_565 . ?
Ag5 Ag6 Ag6 57.89(4) . 2_565 ?
Ag5 Ag6 Ag7 152.50(8) . . ?
Ag5 Ag6 Ag17 101.13(7) . . ?
Ag6 Ag6 Ag7 96.90(5) 2_565 . ?
Ag6 Ag6 Ag17 150.94(5) 2_565 . ?
Ag17 Ag6 Ag7 106.29(7) . . ?
S5 Ag6 Ag5 53.32(13) . . ?
S5 Ag6 Ag6 111.17(13) . 2_565 ?
S5 Ag6 Ag7 150.35(15) . . ?
S5 Ag6 Ag17 51.19(13) . . ?
S6 Ag6 Ag5 102.25(14) . . ?
S6 Ag6 Ag6 51.50(12) . 2_565 ?
S6 Ag6 Ag7 50.26(13) . . ?
S6 Ag6 Ag17 155.99(14) . . ?
S6 Ag6 S5 146.9(2) . . ?
Ag8 Ag7 Ag6 139.45(9) . . ?
S6 Ag7 Ag6 51.03(17) . . ?
S6 Ag7 Ag8 144.82(15) . . ?
S7 Ag7 Ag6 126.33(16) . . ?
S7 Ag7 Ag8 50.48(14) . . ?
S7 Ag7 S6 162.9(2) . . ?
Ag19 Ag8 Ag7 97.33(7) . . ?
Ag19 Ag8 Ag20 61.60(6) . . ?
Ag20 Ag8 Ag7 128.05(8) . . ?
S7 Ag8 Ag7 50.32(13) . . ?
S7 Ag8 Ag19 53.95(14) . . ?
S7 Ag8 Ag20 111.93(15) . . ?
S7 Ag8 S12 163.9(2) . . ?
S12 Ag8 Ag7 140.66(16) . . ?
S12 Ag8 Ag19 110.00(17) . . ?
S12 Ag8 Ag20 52.73(17) . . ?
Ag10 Ag9 Ag10 55.17(8) . 2_565 ?
O6 Ag9 Ag10 93.2(4) . . ?
O6 Ag9 Ag10 93.2(4) . 2_565 ?
O6 Ag9 S12 110.86(18) . . ?
O6 Ag9 S12 110.86(18) . 2_565 ?
S12 Ag9 Ag10 50.78(16) 2_565 2_565 ?
S12 Ag9 Ag10 50.78(16) . . ?
S12 Ag9 Ag10 102.09(16) 2_565 . ?
S12 Ag9 Ag10 102.09(16) . 2_565 ?
S12 Ag9 S12 130.7(3) . 2_565 ?
Ag10 Ag10 Ag9 62.42(4) 2_565 . ?
O7 Ag10 Ag9 78.0(3) . . ?
O7 Ag10 Ag10 91.3(3) . 2_565 ?
O7 Ag10 S12 96.0(4) . . ?
O30 Ag10 Ag9 122.7(5) . . ?
O30 Ag10 Ag10 169.4(6) . 2_565 ?
O30 Ag10 O7 81.4(6) . . ?
O30 Ag10 S12 80.0(5) . . ?
O30 Ag10 S13 117.6(5) . . ?
S12 Ag10 Ag9 50.34(15) . . ?
S12 Ag10 Ag10 108.47(16) . 2_565 ?
S13 Ag10 Ag9 112.46(13) . . ?
S13 Ag10 Ag10 53.60(11) . 2_565 ?
S13 Ag10 O7 83.7(4) . . ?
S13 Ag10 S12 162.0(2) . . ?
Ag11 Ag11 Ag12 60.44(4) 2_565 . ?
O33 Ag11 Ag11 84.1(8) . 2_565 ?
O33 Ag11 Ag12 112.4(7) . . ?
O33 Ag11 S13 92.9(7) . . ?
O33 Ag11 S14 102.1(7) . . ?
S13 Ag11 Ag11 53.06(12) . 2_565 ?
S13 Ag11 Ag12 104.49(13) . . ?
S13 Ag11 S14 154.28(19) . . ?
S14 Ag11 Ag11 107.45(14) . 2_565 ?
S14 Ag11 Ag12 50.49(13) . . ?
Ag11 Ag12 Ag11 59.12(8) . 2_565 ?
O9 Ag12 Ag11 103.8(4) . 2_565 ?
O9 Ag12 Ag11 103.8(4) . . ?
O9 Ag12 S14 110.81(16) . 2_565 ?
O9 Ag12 S14 110.81(16) . . ?
S14 Ag12 Ag11 108.85(16) . 2_565 ?
S14 Ag12 Ag11 53.33(15) . . ?
S14 Ag12 Ag11 53.33(15) 2_565 2_565 ?
S14 Ag12 Ag11 108.85(16) 2_565 . ?
S14 Ag12 S14 137.7(3) . 2_565 ?
Ag1 Ag13 Ag21 134.52(10) 2_565 . ?
Ag14 Ag13 Ag1 102.06(9) . 2_565 ?
Ag14 Ag13 Ag21 60.99(7) . . ?
S2 Ag13 Ag1 53.58(14) . 2_565 ?
S2 Ag13 Ag14 52.91(14) . . ?
S2 Ag13 Ag21 110.53(16) . . ?
S2 Ag13 S14 155.0(2) . . ?
S2 Ag13 O35 98.9(6) . . ?
S14 Ag13 Ag1 149.88(16) . 2_565 ?
S14 Ag13 Ag14 102.49(15) . . ?
S14 Ag13 Ag21 49.47(15) . . ?
S14 Ag13 O35 92.9(7) . . ?
O35 Ag13 Ag1 86.4(6) . 2_565 ?
O35 Ag13 Ag14 126.3(4) . . ?
O35 Ag13 Ag21 138.6(6) . . ?
Ag13 Ag14 Ag15 96.02(7) . . ?
Ag13 Ag14 Ag21 60.62(7) . . ?
Ag13 Ag14 Ag23 122.72(10) . . ?
Ag15 Ag14 Ag21 124.39(10) . . ?
Ag15 Ag14 Ag23 59.70(7) . . ?
Ag21 Ag14 Ag23 89.94(9) . . ?
O42A Ag14 Ag13 136.7(5) . . ?
O42A Ag14 Ag15 78.0(4) . . ?
O42A Ag14 Ag21 153.9(5) . . ?
O42A Ag14 Ag23 91.5(4) . . ?
O42A Ag14 S2 95.0(6) . . ?
S2 Ag14 Ag13 51.89(15) . . ?
S2 Ag14 Ag15 52.64(15) . . ?
S2 Ag14 Ag21 109.23(16) . . ?
S2 Ag14 Ag23 108.46(16) . . ?
S10 Ag14 Ag13 107.52(16) . . ?
S10 Ag14 Ag15 105.29(17) . . ?
S10 Ag14 Ag21 50.08(15) . . ?
S10 Ag14 Ag23 47.71(15) . . ?
S10 Ag14 O42A 115.5(5) . . ?
S10 Ag14 S2 138.8(2) . . ?
Ag1A Ag15 Ag14 92.89(19) 2_565 . ?
Ag1A Ag15 Ag16 63.63(17) 2_565 . ?
Ag1A Ag15 Ag23 128.1(2) 2_565 . ?
Ag14 Ag15 Ag23 63.00(6) . . ?
Ag16 Ag15 Ag14 127.33(8) . . ?
Ag16 Ag15 Ag23 94.12(7) . . ?
O27 Ag15 Ag1A 80.4(5) 4_465 2_565 ?
O27 Ag15 Ag14 151.4(6) 4_465 . ?
O27 Ag15 Ag16 74.4(5) 4_465 . ?
O27 Ag15 Ag23 141.1(6) 4_465 . ?
O27 Ag15 O40A 108.4(6) 4_465 . ?
O27 Ag15 S2 108.4(6) 4_465 . ?
O27 Ag15 S9 100.2(6) 4_465 . ?
O40A Ag15 Ag1A 159.4(4) . 2_565 ?
O40A Ag15 Ag14 70.3(4) . . ?
O40A Ag15 Ag16 136.1(3) . . ?
O40A Ag15 Ag23 55.4(4) . . ?
O40A Ag15 S9 87.8(4) . . ?
S2 Ag15 Ag1A 46.6(2) . 2_565 ?
S2 Ag15 Ag14 51.53(14) . . ?
S2 Ag15 Ag16 106.79(14) . . ?
S2 Ag15 Ag23 110.53(15) . . ?
S2 Ag15 O40A 113.0(4) . . ?
S2 Ag15 S9 135.78(19) . . ?
S9 Ag15 Ag1A 109.3(2) . 2_565 ?
S9 Ag15 Ag14 108.15(14) . . ?
S9 Ag15 Ag16 49.79(13) . . ?
S9 Ag15 Ag23 49.33(13) . . ?
Ag15 Ag16 Ag1A 58.04(17) . 2_565 ?
O26 Ag16 Ag1A 124.8(5) . 2_565 ?
O26 Ag16 Ag15 142.3(4) . . ?
S3 Ag16 Ag1A 40.2(2) . 2_565 ?
S3 Ag16 Ag15 94.89(18) . . ?
S3 Ag16 O26 86.2(4) . . ?
S9 Ag16 Ag1A 109.3(2) . 2_565 ?
S9 Ag16 Ag15 55.41(16) . . ?
S9 Ag16 O26 121.5(4) . . ?
S9 Ag16 S3 149.2(2) . . ?
Ag6 Ag17 Ag25 129.32(7) . . ?
O2 Ag17 Ag6 56.5(3) . . ?
O2 Ag17 Ag25 74.4(3) . . ?
O2 Ag17 O24 107.3(6) . . ?
O24 Ag17 Ag6 133.6(4) . . ?
O24 Ag17 Ag25 69.5(4) . . ?
S5 Ag17 Ag6 51.82(14) . . ?
S5 Ag17 Ag25 154.22(17) . . ?
S5 Ag17 O2 94.7(3) . . ?
S5 Ag17 O24 92.6(4) . . ?
S8 Ag17 Ag6 121.82(16) . . ?
S8 Ag17 Ag25 49.48(16) . . ?
S8 Ag17 O2 98.2(3) . . ?
S8 Ag17 O24 102.4(4) . . ?
S8 Ag17 S5 156.2(2) . . ?
Ag19 Ag18 Ag24 60.23(6) . . ?
O19 Ag18 Ag19 133.7(6) . . ?
O19 Ag18 Ag24 156.5(6) . . ?
O19 Ag18 O28 84.0(8) . . ?
O19 Ag18 S7 94.1(6) . . ?
O19 Ag18 S8 118.7(6) . . ?
O28 Ag18 Ag19 67.3(5) . . ?
O28 Ag18 Ag24 87.0(5) . . ?
O28 Ag18 S7 86.3(5) . . ?
O28 Ag18 S8 120.0(5) . . ?
S7 Ag18 Ag19 50.45(13) . . ?
S7 Ag18 Ag24 106.96(14) . . ?
S8 Ag18 Ag19 107.17(15) . . ?
S8 Ag18 Ag24 49.41(14) . . ?
S8 Ag18 S7 138.26(19) . . ?
Ag8 Ag19 Ag18 97.36(7) . . ?
Ag8 Ag19 Ag20 59.37(6) . . ?
Ag8 Ag19 Ag24 126.35(8) . . ?
Ag18 Ag19 Ag24 60.43(6) . . ?
Ag20 Ag19 Ag18 126.71(8) . . ?
Ag20 Ag19 Ag24 93.80(7) . . ?
O41A Ag19 Ag8 85.9(5) 4_565 . ?
O41A Ag19 Ag18 160.1(4) 4_565 . ?
O41A Ag19 Ag20 71.7(4) 4_565 . ?
O41A Ag19 Ag24 132.0(5) 4_565 . ?
O41A Ag19 S7 118.4(5) 4_565 . ?
O41A Ag19 S11 90.2(5) 4_565 . ?
S7 Ag19 Ag8 51.23(13) . . ?
S7 Ag19 Ag18 53.01(14) . . ?
S7 Ag19 Ag20 107.29(14) . . ?
S7 Ag19 Ag24 109.51(15) . . ?
S7 Ag19 S11 138.0(2) . . ?
S11 Ag19 Ag8 106.71(16) . . ?
S11 Ag19 Ag18 107.52(15) . . ?
S11 Ag19 Ag20 50.33(15) . . ?
S11 Ag19 Ag24 50.09(14) . . ?
Ag8 Ag20 Ag19 59.02(6) . . ?
O30 Ag20 Ag8 130.2(6) . . ?
O30 Ag20 Ag19 155.2(5) . . ?
S11 Ag20 Ag8 108.68(18) . . ?
S11 Ag20 Ag19 52.78(18) . . ?
S11 Ag20 O30 120.4(6) . . ?
S11 Ag20 S12 159.2(2) . . ?
S12 Ag20 Ag8 51.53(15) . . ?
S12 Ag20 Ag19 106.49(17) . . ?
S12 Ag20 O30 78.7(6) . . ?
Ag13 Ag21 Ag14 58.40(7) . . ?
Ag13 Ag21 Ag22 118.95(8) . . ?
Ag14 Ag21 Ag22 89.58(8) . . ?
O8 Ag21 Ag13 70.2(3) . . ?
O8 Ag21 Ag14 103.5(3) . . ?
O8 Ag21 Ag22 69.6(3) . . ?
O31 Ag21 Ag13 163.7(5) . . ?
O31 Ag21 Ag14 137.1(5) . . ?
O31 Ag21 Ag22 63.7(5) . . ?
O31 Ag21 O8 97.8(6) . . ?
S10 Ag21 Ag13 105.62(16) . . ?
S10 Ag21 Ag14 50.30(16) . . ?
S10 Ag21 Ag22 49.02(16) . . ?
S10 Ag21 O8 107.0(3) . . ?
S10 Ag21 O31 88.1(5) . . ?
S14 Ag21 Ag13 52.35(15) . . ?
S14 Ag21 Ag14 102.66(17) . . ?
S14 Ag21 Ag22 151.58(16) . . ?
S14 Ag21 O8 82.6(3) . . ?
S14 Ag21 O31 116.8(5) . . ?
S14 Ag21 S10 152.4(2) . . ?
Ag21 Ag22 Ag24 173.83(8) . . ?
Ag23 Ag22 Ag21 90.95(8) . . ?
Ag23 Ag22 Ag24 92.28(7) . . ?
O4 Ag22 Ag21 94.9(3) . . ?
O4 Ag22 Ag23 91.9(3) . . ?
O4 Ag22 Ag24 79.7(3) . . ?
S10 Ag22 Ag21 47.94(15) . . ?
S10 Ag22 Ag23 50.47(14) . . ?
S10 Ag22 Ag24 137.37(17) . . ?
S10 Ag22 O4 116.1(4) . . ?
S11 Ag22 Ag21 130.94(17) . . ?
S11 Ag22 Ag23 132.69(17) . . ?
S11 Ag22 Ag24 48.55(16) . . ?
S11 Ag22 O4 103.2(4) . . ?
S11 Ag22 S10 140.6(2) . . ?
Ag15 Ag23 Ag14 57.30(6) . . ?
Ag22 Ag23 Ag14 89.31(8) . . ?
Ag22 Ag23 Ag15 120.24(8) . . ?
O39 Ag23 Ag14 145.3(9) . . ?
O39 Ag23 Ag15 123.1(8) . . ?
O39 Ag23 Ag22 112.2(9) . . ?
O39 Ag23 S9 94.4(8) . . ?
O39 Ag23 S10 127.2(8) . . ?
S9 Ag23 Ag14 105.97(15) . . ?
S9 Ag23 Ag15 52.77(15) . . ?
S9 Ag23 Ag22 105.56(15) . . ?
S10 Ag23 Ag14 47.67(16) . . ?
S10 Ag23 Ag15 102.94(16) . . ?
S10 Ag23 Ag22 51.37(16) . . ?
S10 Ag23 S9 136.56(18) . . ?
Ag18 Ag24 Ag22 127.75(7) . . ?
Ag19 Ag24 Ag18 59.35(6) . . ?
Ag19 Ag24 Ag22 92.11(6) . . ?
Ag25 Ag24 Ag18 96.58(7) . . ?
Ag25 Ag24 Ag19 130.00(7) . . ?
Ag25 Ag24 Ag22 67.85(6) . . ?
O38 Ag24 Ag18 162.4(8) . . ?
O38 Ag24 Ag19 137.3(8) . . ?
O38 Ag24 Ag22 64.6(8) . . ?
O38 Ag24 Ag25 76.0(8) . . ?
O38 Ag24 S8 114.6(8) . . ?
O38 Ag24 S11 90.6(8) . . ?
S8 Ag24 Ag18 50.75(16) . . ?
S8 Ag24 Ag19 107.60(16) . . ?
S8 Ag24 Ag22 115.19(15) . . ?
S8 Ag24 Ag25 52.02(15) . . ?
S8 Ag24 S11 140.17(19) . . ?
S11 Ag24 Ag18 106.99(16) . . ?
S11 Ag24 Ag19 50.63(17) . . ?
S11 Ag24 Ag22 47.04(17) . . ?
S11 Ag24 Ag25 111.91(17) . . ?
Ag24 Ag25 Ag17 98.07(8) . . ?
O4 Ag25 Ag17 93.6(3) . . ?
O4 Ag25 Ag24 85.7(3) . . ?
S8 Ag25 Ag17 49.89(14) . . ?
S8 Ag25 Ag24 52.55(14) . . ?
S8 Ag25 O4 106.7(4) . . ?
S9 Ag25 Ag17 126.05(15) . . ?
S9 Ag25 Ag24 133.46(16) . . ?
S9 Ag25 O4 103.5(4) . . ?
S9 Ag25 S8 149.7(2) . . ?
C6 C1 C2 120.0 . . ?
C6 C1 C2 103.3(14) . 2_565 ?
C6 C1 S18 119(2) 2_565 . ?
C6 C1 S18 119(2) . . ?
C2 C1 C6 103(3) . 2_565 ?
C2 C1 C6 120(2) 2_565 2_565 ?
C2 C1 C2 70(3) . 2_565 ?
C2 C1 S18 116.5(18) . . ?
C2 C1 S18 117(2) 2_565 . ?
C1 C6 C5 120.0 . . ?
C6 C6 C1 76.4 2_565 . ?
C6 C6 C5 82(7) 2_565 2_565 ?
C6 C6 C5 70.1 2_565 . ?
C5 C6 C1 125(3) 2_565 . ?
C6 C5 C4 104(3) 2_565 . ?
C6 C5 C4 92.0(18) . 2_565 ?
C6 C5 C4 112(4) 2_565 2_565 ?
C5 C5 C6 98(5) 2_565 2_565 ?
C5 C5 C6 70.2 2_565 . ?
C5 C5 C4 125.06(17) 2_565 . ?
C5 C5 C4 46(4) 2_565 2_565 ?
C4 C5 C6 120.0 . . ?
C4 C5 C4 79(4) . 2_565 ?
C5 C4 C4 54.9 . 2_565 ?
C5 C4 C4 46(4) 2_565 2_565 ?
C5 C4 C3 120.0 . . ?
C3 C4 C5 119.0(7) . 2_565 ?
C3 C4 C4 103.6 . 2_565 ?
C4 C3 C2 120.0 . . ?
C1 C2 C2 54.9 . 2_565 ?
C3 C2 C1 120.0 . . ?
C3 C2 C2 109.9 . 2_565 ?
C8 C7 C8 154(9) . 2_565 ?
C8 C7 S4 103(5) 2_565 . ?
C8 C7 S4 103(5) . . ?
C9 C10 S3 103(4) . . ?
C11 C12 S2 109(3) . . ?
C15 C14 S14 107(3) . . ?
C18 C17 C16 120.0 . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C16 C21 C20 120.0 . . ?
C17 C16 S15 125(2) . . ?
C21 C16 C17 120.0 . . ?
C21 C16 S15 115(2) . . ?
C23 C22 C23 147(6) . 2_565 ?
C23 C22 S13 104(2) . . ?
C23 C22 S13 104(2) 2_565 . ?
C25 C24 S12 111(3) . . ?
C26 C27 S11 106(2) . . ?
C34 C29 C30 118(5) . . ?
C29 C30 C31 118(5) . . ?
C32 C31 C30 124(5) . . ?
C33 C32 C31 114(6) . . ?
C29 C34 S16 116(4) . . ?
C33 C34 C29 119(6) . . ?
C33 C34 S16 124(4) . . ?
C32 C33 C34 126(6) . . ?
C35 C36 S10 113.2(17) . . ?
C37 C38 S9 118(3) . . ?
C39 C40 C41 120.0 . . ?
C40 C39 S17 128(3) . . ?
C44 C39 C40 120.0 . . ?
C44 C39 S17 112(3) . . ?
C43 C44 C39 120.0 . . ?
C42 C43 C44 120.0 . . ?
C43 C42 C41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C46 C45 S8 116(3) . . ?
C51 C52 C47 120.0 . . ?
C51 C52 S21 132.0(14) . . ?
C47 C52 S21 107.6(13) . . ?
C50 C51 C52 120.0 . . ?
C49 C50 C51 120.0 . . ?
C50 C49 C48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C48 C47 C52 120.0 . . ?
C58 C53 C54 120.0 . . ?
C58 C53 S20 118.0(16) . . ?
C54 C53 S20 121.9(16) . . ?
C57 C58 C53 120.0 . . ?
C58 C57 C56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C56 C55 C54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C65 C66 S7 111(3) . . ?
C68 C67 S6 109(3) . . ?
C70 C69 S5 108(2) . . ?
C72 C71 C76 120.0 . . ?
C72 C71 S19 120.1(15) . . ?
C76 C71 S19 119.4(15) . . ?
C71 C72 C73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C73 C74 C75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C75 C76 C71 120.0 . . ?
V1 O2 Ag17 114.3(6) . . ?
V1 O2 V3 115.3(7) . . ?
V3 O2 Ag17 124.3(6) . . ?
V4 O3 V3 114.9(7) . . ?
Ag22 O4 Ag25 89.3(4) . . ?
V3 O4 Ag22 118.0(7) . . ?
V3 O4 Ag25 112.4(6) . . ?
V6 O4 Ag22 108.8(7) . . ?
V6 O4 Ag25 116.5(6) . . ?
V6 O4 V3 110.6(6) . . ?
V2 O5 V3 110.8(7) . 2_565 ?
V2 O6 Ag9 116.5(8) . . ?
V2 O6 V4 106.3(6) . . ?
V2 O6 V4 106.3(6) . 2_565 ?
V4 O6 Ag9 113.0(5) 2_565 . ?
V4 O6 Ag9 113.0(5) . . ?
V4 O6 V4 100.2(8) . 2_565 ?
V4 O7 Ag10 136.2(8) . . ?
V4 O8 Ag21 127.0(6) . . ?
V4 O8 V6 112.8(7) . . ?
V6 O8 Ag21 118.0(6) . . ?
V4 O9 Ag12 109.9(6) 2_565 . ?
V4 O9 Ag12 109.9(6) . . ?
V4 O9 V4 99.8(8) 2_565 . ?
V5 O9 Ag12 119.4(9) . . ?
V5 O9 V4 108.0(7) . . ?
V5 O9 V4 108.0(7) . 2_565 ?
V1 O11 V6 115.3(7) . . ?
V5 O12 Ag1 131.7(7) . . ?
V5 O12 V6 109.8(7) . 2_565 ?
V6 O12 Ag1 112.2(5) 2_565 . ?
V1 O13 Ag2 117.8(5) 2_565 . ?
V1 O13 Ag2 117.8(5) . . ?
V1 O13 V1 99.4(8) . 2_565 ?
V5 O13 Ag2 105.3(8) . . ?
V5 O13 V1 108.0(6) . 2_565 ?
V5 O13 V1 108.0(6) . . ?
V1 O14 V3 86.3(4) 2_565 2_565 ?
V1 O14 V6 86.1(4) 2_565 2_565 ?
V2 O14 V1 93.1(5) . 2_565 ?
V2 O14 V3 87.2(5) . 2_565 ?
V2 O14 V4 93.5(5) . 2_565 ?
V2 O14 V5 101.5(4) . . ?
V2 O14 V6 170.8(6) . 2_565 ?
V4 O14 V1 170.0(5) 2_565 2_565 ?
V4 O14 V3 86.5(4) 2_565 2_565 ?
V4 O14 V6 86.2(4) 2_565 2_565 ?
V5 O14 V1 92.9(5) . 2_565 ?
V5 O14 V3 171.3(6) . 2_565 ?
V5 O14 V4 93.1(5) . 2_565 ?
V5 O14 V6 87.7(5) . 2_565 ?
V6 O14 V3 83.6(4) 2_565 2_565 ?
V1 O15 V1 100.0(9) . 2_565 ?
V2 O15 V1 107.3(6) . 2_565 ?
V2 O15 V1 107.3(6) . . ?
V1 O16 Ag3 120.6(7) . . ?
S20 O19 Ag18 109.2(16) . . ?
S18 O23 Ag4 115.3(9) . . ?
S19 O24 Ag17 141.0(12) . . ?
S19 O25 Ag4 118.6(9) . . ?
Ag3 O26 Ag16 81.8(5) . . ?
S19 O26 Ag3 122.2(10) . . ?
S19 O26 Ag16 111.3(11) . . ?
S21 O27 Ag15 131.7(12) . 4_565 ?
S21 O28 Ag18 116.8(11) . . ?
Ag10 O30 Ag20 95.2(7) . . ?
S16 O30 Ag10 127.6(12) . . ?
S16 O30 Ag20 122.4(13) . . ?
S16 O31 Ag21 125.0(13) . . ?
S15 O33 Ag11 126.8(17) . . ?
S17 O38 Ag24 132(2) . . ?
S17 O39 Ag23 112.6(18) . . ?
S1A O40A Ag15 123.6(11) . . ?
S1A O41A Ag19 133.6(11) . 4_465 ?
S1A O42A Ag14 114.1(11) . . ?
O40A S1A O41A 110.4(9) . . ?
O40A S1A C77 115.9(11) . . ?
O41A S1A C77 104.6(12) . . ?
O42A S1A O40A 113.2(10) . . ?
O42A S1A O41A 110.8(11) . . ?
O42A S1A C77 101.3(12) . . ?
Ag1A S2 Ag13 99.1(4) 2_565 . ?
Ag1A S2 Ag14 138.3(4) 2_565 . ?
Ag1A S2 Ag15 78.1(3) 2_565 . ?
Ag13 S2 Ag1 75.65(18) . 2_565 ?
Ag13 S2 Ag14 75.20(18) . . ?
Ag13 S2 Ag15 131.0(3) . . ?
Ag14 S2 Ag1 139.8(3) . 2_565 ?
Ag14 S2 Ag15 75.82(18) . . ?
Ag15 S2 Ag1 104.2(2) . 2_565 ?
C12 S2 Ag1 112.3(12) . 2_565 ?
C12 S2 Ag1A 113.9(11) . 2_565 ?
C12 S2 Ag13 116.1(11) . . ?
C12 S2 Ag14 105.2(11) . . ?
C12 S2 Ag15 109.2(11) . . ?
Ag1A S3 Ag2 97.9(4) 2_565 . ?
Ag1A S3 Ag3 160.6(4) 2_565 . ?
Ag1A S3 Ag16 89.9(3) 2_565 . ?
Ag2 S3 Ag1 72.8(2) . 2_565 ?
Ag2 S3 Ag3 71.92(18) . . ?
Ag2 S3 Ag16 131.9(3) . . ?
Ag3 S3 Ag1 141.6(3) . 2_565 ?
Ag16 S3 Ag1 107.6(3) . 2_565 ?
Ag16 S3 Ag3 85.3(2) . . ?
C10 S3 Ag1 100.7(11) . 2_565 ?
C10 S3 Ag1A 92.5(11) . 2_565 ?
C10 S3 Ag2 112.7(12) . . ?
C10 S3 Ag3 106.6(11) . . ?
C10 S3 Ag16 114.3(12) . . ?
Ag3 S4 Ag3 80.1(3) . 2_565 ?
Ag3 S4 Ag4 138.4(3) . 2_565 ?
Ag3 S4 Ag4 81.02(13) . . ?
Ag3 S4 Ag4 138.4(3) 2_565 . ?
Ag3 S4 Ag4 81.02(13) 2_565 2_565 ?
Ag4 S4 Ag4 89.2(3) . 2_565 ?
C7 S4 Ag3 111.6(17) . . ?
C7 S4 Ag3 111.6(17) . 2_565 ?
C7 S4 Ag4 109.8(15) . 2_565 ?
C7 S4 Ag4 109.8(15) . . ?
Ag5 S5 Ag4 72.53(17) . . ?
Ag5 S5 Ag6 71.75(16) . . ?
Ag5 S5 Ag17 140.3(2) . . ?
Ag6 S5 Ag4 132.6(2) . . ?
Ag17 S5 Ag4 115.1(2) . . ?
Ag17 S5 Ag6 76.99(16) . . ?
C69 S5 Ag4 109.1(10) . . ?
C69 S5 Ag5 104.8(9) . . ?
C69 S5 Ag6 109.4(11) . . ?
C69 S5 Ag17 108.3(9) . . ?
Ag6 S6 Ag6 77.0(2) 2_565 . ?
Ag7 S6 Ag6 141.1(3) 2_565 . ?
Ag7 S6 Ag6 78.71(11) . . ?
Ag7 S6 Ag6 78.71(11) 2_565 2_565 ?
Ag7 S6 Ag6 141.1(3) . 2_565 ?
Ag7 S6 Ag7 103.0(3) . 2_565 ?
C67 S6 Ag6 105.6(8) . . ?
C67 S6 Ag6 105.6(8) . 2_565 ?
C67 S6 Ag7 109.9(6) . . ?
C67 S6 Ag7 109.9(6) . 2_565 ?
Ag7 S7 Ag8 79.20(17) . . ?
Ag7 S7 Ag18 98.3(2) . . ?
Ag7 S7 Ag19 135.9(3) . . ?
Ag8 S7 Ag18 134.4(3) . . ?
Ag8 S7 Ag19 74.82(16) . . ?
Ag19 S7 Ag18 76.54(17) . . ?
C66 S7 Ag7 109.7(12) . . ?
C66 S7 Ag8 109.4(11) . . ?
C66 S7 Ag18 114.0(12) . . ?
C66 S7 Ag19 112.3(12) . . ?
Ag17 S8 Ag18 100.5(2) . . ?
Ag17 S8 Ag24 142.7(2) . . ?
Ag24 S8 Ag18 79.84(17) . . ?
Ag25 S8 Ag17 80.63(19) . . ?
Ag25 S8 Ag18 137.9(2) . . ?
Ag25 S8 Ag24 75.44(19) . . ?
C45 S8 Ag17 105.5(9) . . ?
C45 S8 Ag18 114.2(11) . . ?
C45 S8 Ag24 108.2(8) . . ?
C45 S8 Ag25 105.7(11) . . ?
Ag16 S9 Ag15 74.81(17) . . ?
Ag16 S9 Ag23 138.4(2) . . ?
Ag16 S9 Ag25 93.2(2) . . ?
Ag23 S9 Ag15 77.90(19) . . ?
Ag25 S9 Ag15 141.6(2) . . ?
Ag25 S9 Ag23 89.0(2) . . ?
C38 S9 Ag15 106.8(13) . . ?
C38 S9 Ag16 113.1(13) . . ?
C38 S9 Ag23 104.5(14) . . ?
C38 S9 Ag25 111.4(13) . . ?
Ag14 S10 Ag22 132.1(2) . . ?
Ag14 S10 Ag23 84.63(19) . . ?
Ag21 S10 Ag14 79.6(2) . . ?
Ag21 S10 Ag22 83.04(19) . . ?
Ag21 S10 Ag23 136.6(2) . . ?
Ag23 S10 Ag22 78.2(2) . . ?
C36 S10 Ag14 115.0(8) . . ?
C36 S10 Ag21 109.2(7) . . ?
C36 S10 Ag22 112.9(8) . . ?
C36 S10 Ag23 114.1(7) . . ?
Ag20 S11 Ag19 76.89(19) . . ?
Ag20 S11 Ag22 93.1(2) . . ?
Ag20 S11 Ag24 136.8(2) . . ?
Ag22 S11 Ag19 142.5(2) . . ?
Ag22 S11 Ag24 84.42(19) . . ?
Ag24 S11 Ag19 79.3(2) . . ?
C27 S11 Ag19 105.0(15) . . ?
C27 S11 Ag20 116.9(9) . . ?
C27 S11 Ag22 111.7(14) . . ?
C27 S11 Ag24 103.8(10) . . ?
Ag8 S12 Ag9 88.2(2) . . ?
Ag8 S12 Ag10 156.4(3) . . ?
Ag8 S12 Ag20 75.74(16) . . ?
Ag9 S12 Ag10 78.88(19) . . ?
Ag9 S12 Ag20 124.4(2) . . ?
Ag20 S12 Ag10 95.3(3) . . ?
C24 S12 Ag8 96.9(9) . . ?
C24 S12 Ag9 117.7(11) . . ?
C24 S12 Ag10 106.6(9) . . ?
C24 S12 Ag20 116.9(10) . . ?
Ag10 S13 Ag10 72.8(2) 2_565 . ?
Ag10 S13 Ag11 133.8(3) . 2_565 ?
Ag10 S13 Ag11 88.79(13) . . ?
Ag10 S13 Ag11 133.8(3) 2_565 . ?
Ag10 S13 Ag11 88.79(13) 2_565 2_565 ?
Ag11 S13 Ag11 73.9(2) 2_565 . ?
C22 S13 Ag10 113.4(11) . 2_565 ?
C22 S13 Ag10 113.4(11) . . ?
C22 S13 Ag11 112.8(11) . . ?
C22 S13 Ag11 112.8(11) . 2_565 ?
Ag12 S14 Ag11 76.18(18) . . ?
Ag12 S14 Ag13 88.37(19) . . ?
Ag13 S14 Ag11 158.0(3) . . ?
Ag21 S14 Ag11 98.5(2) . . ?
Ag21 S14 Ag12 126.9(3) . . ?
Ag21 S14 Ag13 78.17(18) . . ?
C14 S14 Ag11 98.3(17) . . ?
C14 S14 Ag12 114.9(12) . . ?
C14 S14 Ag13 102.4(18) . . ?
C14 S14 Ag21 118.2(12) . . ?
O33 S15 C16 118.1(17) 2_565 . ?
O33 S15 C16 91.7(15) . . ?
O33 S15 O33 113(2) 2_565 . ?
O34 S15 C16 103.7(17) . . ?
O34 S15 O33 114.3(13) . . ?
O34 S15 O33 114.3(13) . 2_565 ?
O30 S16 C34 101.6(19) . . ?
O31 S16 C34 104.2(16) . . ?
O31 S16 O30 100.0(13) . . ?
O32 S16 C34 112.8(17) . . ?
O32 S16 O30 118.4(15) . . ?
O32 S16 O31 117.6(17) . . ?
O37 S17 C39 106.3(19) . . ?
O38 S17 C39 118(2) . . ?
O38 S17 O37 109(3) . . ?
O38 S17 O39 107(2) . . ?
O39 S17 C39 101.8(19) . . ?
O39 S17 O37 116(2) . . ?
O22 S18 C1 106.1(18) . . ?
O23 S18 C1 105.2(11) . . ?
O23 S18 C1 105.2(11) 2_565 . ?
O23 S18 O22 114.7(10) . . ?
O23 S18 O22 114.6(10) 2_565 . ?
O23 S18 O23 110.2(19) 2_565 . ?
O24 S19 C71 107.4(12) . . ?
O24 S19 O25 116.9(12) . . ?
O25 S19 C71 106.1(11) . . ?
O26 S19 C71 106.1(12) . . ?
O26 S19 O24 107.2(12) . . ?
O26 S19 O25 112.6(11) . . ?
O19 S20 C53 111.6(18) . . ?
O19 S20 O20 113.8(16) . . ?
O19 S20 O21 97.9(19) . . ?
O20 S20 C53 112.4(18) . . ?
O20 S20 O21 106.9(19) . . ?
O21 S20 C53 113.4(17) . . ?
O27 S21 C52 106.1(12) . . ?
O27 S21 O28 111.8(13) . . ?
O28 S21 C52 100.9(11) . . ?
O29 S21 C52 117.7(15) . . ?
O29 S21 O27 114.4(14) . . ?
O29 S21 O28 105.3(11) . . ?
O2 V1 O11 94.6(6) . . ?
O2 V1 O13 154.2(6) . . ?
O2 V1 O14 80.0(5) . 2_565 ?
O2 V1 O15 88.6(6) . . ?
O2 V1 V1 128.6(5) . 2_565 ?
O2 V1 V3 32.9(4) . . ?
O2 V1 V6 84.0(5) . . ?
O11 V1 O13 90.6(6) . . ?
O11 V1 O14 79.9(5) . 2_565 ?
O11 V1 O15 155.2(6) . . ?
O11 V1 V1 130.9(4) . 2_565 ?
O11 V1 V3 82.8(4) . . ?
O11 V1 V6 32.6(4) . . ?
O13 V1 O14 76.0(5) . 2_565 ?
O13 V1 V1 40.3(4) . 2_565 ?
O13 V1 V3 123.7(5) . . ?
O13 V1 V6 86.9(4) . . ?
O14 V1 V1 85.2(3) 2_565 2_565 ?
O14 V1 V3 47.7(3) 2_565 . ?
O14 V1 V6 47.8(3) 2_565 . ?
O15 V1 O13 76.7(6) . . ?
O15 V1 O14 76.3(5) . 2_565 ?
O15 V1 V1 40.0(4) . 2_565 ?
O15 V1 V3 86.7(4) . . ?
O15 V1 V6 124.1(5) . . ?
O16 V1 O2 103.2(6) . . ?
O16 V1 O11 103.2(6) . . ?
O16 V1 O13 100.2(7) . . ?
O16 V1 O14 175.2(5) . 2_565 ?
O16 V1 O15 100.1(7) . . ?
O16 V1 V1 90.0(4) . 2_565 ?
O16 V1 V3 135.8(5) . . ?
O16 V1 V6 135.6(5) . . ?
V1 V1 V3 119.29(8) 2_565 . ?
V1 V1 V6 119.81(8) 2_565 . ?
V6 V1 V3 59.24(10) . . ?
O5 V2 O5 107.1(9) 2_565 . ?
O5 V2 O6 96.6(6) . . ?
O5 V2 O6 96.6(6) 2_565 . ?
O5 V2 O14 165.9(6) . 2_565 ?
O5 V2 O14 165.9(6) 2_565 . ?
O5 V2 O14 87.0(6) 2_565 2_565 ?
O5 V2 O14 87.0(6) . . ?
O5 V2 O15 97.4(5) 2_565 . ?
O5 V2 O15 97.4(5) . . ?
O5 V2 V3 145.2(5) 2_565 2_565 ?
O5 V2 V3 38.2(5) 2_565 . ?
O5 V2 V3 145.2(5) . . ?
O5 V2 V3 38.2(5) . 2_565 ?
O6 V2 O14 81.0(5) . 2_565 ?
O6 V2 O14 81.0(5) . . ?
O6 V2 V3 89.82(10) . . ?
O6 V2 V3 89.82(10) . 2_565 ?
O14 V2 O14 78.9(7) . 2_565 ?
O14 V2 V3 127.7(4) 2_565 2_565 ?
O14 V2 V3 48.9(3) 2_565 . ?
O14 V2 V3 48.9(3) . 2_565 ?
O14 V2 V3 127.7(4) . . ?
O15 V2 O6 156.2(8) . . ?
O15 V2 O14 80.7(5) . 2_565 ?
O15 V2 O14 80.7(5) . . ?
O15 V2 V3 89.48(10) . . ?
O15 V2 V3 89.48(10) . 2_565 ?
V3 V2 V3 176.6(2) 2_565 . ?
O1 V3 O2 103.0(7) . . ?
O1 V3 O3 101.9(7) . . ?
O1 V3 O4 103.6(6) . . ?
O1 V3 O5 99.0(6) . 2_565 ?
O1 V3 O14 173.9(6) . 2_565 ?
O1 V3 V1 134.7(5) . . ?
O1 V3 V2 130.0(5) . . ?
O1 V3 V4 133.8(5) . . ?
O1 V3 V6 137.9(5) . . ?
O2 V3 O3 153.8(6) . . ?
O2 V3 O4 91.5(6) . . ?
O2 V3 O5 83.7(6) . 2_565 ?
O2 V3 O14 77.2(5) . 2_565 ?
O2 V3 V1 31.8(4) . . ?
O2 V3 V2 78.3(4) . . ?
O2 V3 V4 122.8(4) . . ?
O2 V3 V6 84.0(5) . . ?
O3 V3 O4 90.6(6) . . ?
O3 V3 O5 84.4(5) . 2_565 ?
O3 V3 O14 77.2(5) . 2_565 ?
O3 V3 V1 123.1(4) . . ?
O3 V3 V2 79.5(4) . . ?
O3 V3 V4 31.9(4) . . ?
O3 V3 V6 83.1(4) . . ?
O4 V3 O5 157.4(6) . 2_565 ?
O4 V3 O14 82.5(5) . 2_565 ?
O4 V3 V1 82.1(4) . . ?
O4 V3 V2 126.4(4) . . ?
O4 V3 V4 82.4(4) . . ?
O4 V3 V6 34.3(4) . . ?
O5 V3 O14 75.0(5) 2_565 2_565 ?
O5 V3 V1 82.3(4) 2_565 . ?
O5 V3 V2 31.1(4) 2_565 . ?
O5 V3 V4 81.8(4) 2_565 . ?
O5 V3 V6 123.1(4) 2_565 . ?
O14 V3 V1 46.0(3) 2_565 . ?
O14 V3 V2 43.9(3) 2_565 . ?
O14 V3 V4 45.6(3) 2_565 . ?
O14 V3 V6 48.1(3) 2_565 . ?
V2 V3 V1 61.83(11) . . ?
V2 V3 V4 61.83(11) . . ?
V2 V3 V6 92.04(14) . . ?
V4 V3 V1 91.36(12) . . ?
V6 V3 V1 60.18(10) . . ?
V6 V3 V4 60.09(11) . . ?
O3 V4 O6 90.1(6) . . ?
O3 V4 O8 94.8(6) . . ?
O3 V4 O9 154.9(7) . . ?
O3 V4 O14 80.7(5) . 2_565 ?
O3 V4 V3 33.2(4) . . ?
O3 V4 V4 130.0(4) . 2_565 ?
O3 V4 V6 83.4(4) . . ?
O6 V4 O9 76.6(6) . . ?
O6 V4 O14 76.7(5) . 2_565 ?
O6 V4 V3 87.0(4) . . ?
O6 V4 V4 39.9(4) . 2_565 ?
O6 V4 V6 124.6(4) . . ?
O7 V4 O3 105.4(7) . . ?
O7 V4 O6 99.9(7) . . ?
O7 V4 O8 101.0(6) . . ?
O7 V4 O9 97.9(7) . . ?
O7 V4 O14 173.2(6) . 2_565 ?
O7 V4 V3 138.4(5) . . ?
O7 V4 V4 88.9(5) . 2_565 ?
O7 V4 V6 134.9(5) . . ?
O8 V4 O6 156.4(6) . . ?
O8 V4 O9 89.7(6) . . ?
O8 V4 O14 81.3(5) . 2_565 ?
O8 V4 V3 84.6(4) . . ?
O8 V4 V4 129.8(4) . 2_565 ?
O8 V4 V6 33.9(4) . . ?
O9 V4 O14 75.6(6) . 2_565 ?
O9 V4 V3 123.4(5) . . ?
O9 V4 V4 40.1(4) . 2_565 ?
O9 V4 V6 86.8(4) . . ?
O14 V4 V3 47.8(3) 2_565 . ?
O14 V4 V4 84.8(3) 2_565 2_565 ?
O14 V4 V6 47.9(3) 2_565 . ?
V4 V4 V3 119.02(8) 2_565 . ?
V6 V4 V3 59.37(10) . . ?
V6 V4 V4 119.54(8) . 2_565 ?
O9 V5 O13 155.4(9) . . ?
O9 V5 O14 80.5(6) . . ?
O9 V5 O14 80.5(6) . 2_565 ?
O9 V5 V6 89.65(10) . 2_565 ?
O9 V5 V6 89.65(10) . . ?
O12 V5 O9 98.3(6) . . ?
O12 V5 O9 98.3(6) 2_565 . ?
O12 V5 O12 107.6(10) . 2_565 ?
O12 V5 O13 96.1(6) 2_565 . ?
O12 V5 O13 96.1(6) . . ?
O12 V5 O14 165.2(6) 2_565 . ?
O12 V5 O14 87.1(6) 2_565 2_565 ?
O12 V5 O14 165.2(6) . 2_565 ?
O12 V5 O14 87.1(6) . . ?
O12 V5 V6 146.5(5) . . ?
O12 V5 V6 146.5(5) 2_565 2_565 ?
O12 V5 V6 38.9(5) . 2_565 ?
O12 V5 V6 38.9(5) 2_565 . ?
O13 V5 O14 80.4(5) . . ?
O13 V5 O14 80.4(5) . 2_565 ?
O13 V5 V6 89.21(10) . . ?
O13 V5 V6 89.21(10) . 2_565 ?
O14 V5 O14 78.1(6) 2_565 . ?
O14 V5 V6 48.3(3) . 2_565 ?
O14 V5 V6 126.4(4) . . ?
O14 V5 V6 48.3(3) 2_565 . ?
O14 V5 V6 126.4(4) 2_565 2_565 ?
V6 V5 V6 174.6(2) . 2_565 ?
O4 V6 O8 92.5(6) . . ?
O4 V6 O12 158.7(6) . 2_565 ?
O4 V6 O14 83.3(5) . 2_565 ?
O4 V6 V1 82.9(4) . . ?
O4 V6 V3 35.0(4) . . ?
O4 V6 V4 83.3(4) . . ?
O4 V6 V5 127.4(4) . . ?
O8 V6 O12 84.5(5) . 2_565 ?
O8 V6 O14 78.7(5) . 2_565 ?
O8 V6 V1 124.8(4) . . ?
O8 V6 V3 85.2(4) . . ?
O8 V6 V4 33.3(4) . . ?
O8 V6 V5 79.4(4) . . ?
O10 V6 O4 100.6(7) . . ?
O10 V6 O8 100.9(6) . . ?
O10 V6 O11 101.9(7) . . ?
O10 V6 O12 100.6(7) . 2_565 ?
O10 V6 O14 176.0(6) . 2_565 ?
O10 V6 V1 134.0(5) . . ?
O10 V6 V3 135.6(5) . . ?
O10 V6 V4 134.1(5) . . ?
O10 V6 V5 132.0(5) . . ?
O11 V6 O4 90.7(6) . . ?
O11 V6 O8 155.9(6) . . ?
O11 V6 O12 84.0(6) . 2_565 ?
O11 V6 O14 78.0(5) . 2_565 ?
O11 V6 V1 32.2(4) . . ?
O11 V6 V3 83.7(5) . . ?
O11 V6 V4 123.9(4) . . ?
O11 V6 V5 79.7(4) . . ?
O12 V6 O14 75.4(5) 2_565 2_565 ?
O12 V6 V1 81.6(4) 2_565 . ?
O12 V6 V3 123.7(4) 2_565 . ?
O12 V6 V4 82.7(4) 2_565 . ?
O12 V6 V5 31.4(4) 2_565 . ?
O14 V6 V1 46.2(3) 2_565 . ?
O14 V6 V3 48.3(3) 2_565 . ?
O14 V6 V4 45.9(3) 2_565 . ?
O14 V6 V5 44.0(3) 2_565 . ?
V3 V6 V1 60.58(11) . . ?
V3 V6 V4 60.54(10) . . ?
V3 V6 V5 92.35(14) . . ?
V4 V6 V1 91.86(11) . . ?
V5 V6 V1 61.92(11) . . ?
V5 V6 V4 61.80(11) . . ?
O35 C13 O35 121(3) . 2_565 ?
O36 C13 O35 119.0(17) . . ?
O36 C13 O35 119.0(17) . 2_565 ?
C13 O35 Ag13 99.4(17) . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C64 120.0 . . ?
C59 C64 C63 120.0 . . ?
C64 C59 C60 120.0 . . ?
C64 C59 S22 118.6(19) . . ?
C60 C59 S22 121.4(19) . . ?
C59 C60 C61 120.0 . . ?
C60 C61 C62 120.0 . . ?
O17 S22 C59 96.0(19) . . ?
O17 S22 C59 111(2) 2_565 . ?
O17 S22 O17 116(2) 2_565 . ?
O17 S22 O18 112.2(10) 2_565 . ?
O17 S22 O18 112.2(10) . . ?
O18 S22 C59 107.3(16) . . ?
C78 C79 C82 120.0 . . ?
C79 C78 C77 120.0 . . ?
C78 C77 S1A 112.3(13) . . ?
C81 C77 S1A 127.7(13) . . ?
C81 C77 C78 120.0 . . ?
C77 C81 C80 120.0 . . ?
C82 C80 C81 120.0 . . ?
C80 C82 C79 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT201_SD_Ag46             
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         48 Report
RESPONSE: An anisotropic refinement of all non-H atom was
investigated, but it was not computationally stable.
;
_vrf_PLAT411_SD_Ag46             
;
PROBLEM: Short Inter H...H Contact  H4       ..H41              1.44 Ang.  
RESPONSE: Short H...H contact are caused by the disorderd of benzene ring.
;
_vrf_PLAT975_SD_Ag46             
;
PROBLEM: Check Calcd Resid. Dens.  0.98A   From O29             2.42 eA-3  
RESPONSE: This is due to the disorder of this atom.
;
