# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

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

data_agcutbtea
_database_code_depnum_ccdc_archive 'CCDC 2183686'
loop_
_audit_author_name
_audit_author_address
'Sukhendu Mandal'
;IISERTVM
India
;
_audit_update_record             
;
2022-07-04 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
_audit_creation_date             2022-02-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H102 Ag20 F24 N4 O16 S10, 2(C2 H6 O), S'
_chemical_formula_sum            'C68 H114 Ag20 F24 N4 O18 S11'
_chemical_formula_weight         4241.69
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.3357(12)
_cell_length_b                   16.1055(12)
_cell_length_c                   23.5813(17)
_cell_angle_alpha                90
_cell_angle_beta                 94.3970(10)
_cell_angle_gamma                90
_cell_volume                     6185.9(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8577
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   0.883
_shelx_estimated_absorpt_T_min   0.741
_exptl_absorpt_coefficient_mu    3.356
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             4052
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.038
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_av_unetI/netI     0.0757
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            89860
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.439
_diffrn_reflns_theta_min         2.415
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9045
_reflns_number_total             15437
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         5.121
_refine_diff_density_min         -3.332
_refine_diff_density_rms         0.252
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         15437
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1295
_refine_ls_R_factor_gt           0.0717
_refine_ls_restrained_S_all      1.044
_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)+(0.1021P)²+60.1172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1881
_refine_ls_wR_factor_ref         0.2219
_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, All O(H) groups
2. Uiso/Uaniso restraints and constraints
C3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C3 \\sim C2: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
Ag06 \\sim C2 \\sim Ag07 \\sim C3 \\sim F1 \\sim F3 \\sim F2: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C21 \\sim C01D: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C2: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C2 \\sim C3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C2 \\sim C3 \\sim F1 \\sim F3 \\sim F2: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
C2 \\sim O1: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
Ag04 \\sim Ag06 \\sim Ag0A: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C01X \\sim C01D: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
S00F \\sim Ag09 \\sim S00D: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C3 \\sim F3 \\sim F2 \\sim F1: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
S1: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
3. Others
 Fixed Sof: O1(0.33333) O3(0.33333) O2(0.33333)
 Fixed U11: C3(0.089793) F1(0.140624) F2(0.149074) F3(0.178836)
 Fixed U12: C3(0.031426) F1(0.018004) F2(0.019661) F3(0.037734)
 Fixed U13: C3(0.010766) F1(-0.037496) F2(-0.000183) F3(-0.001049)
 Fixed U22: C3(0.07593) F1(0.10283) F2(0.1089) F3(0.10468)
 Fixed U23: C3(0.02434) F1(0.02347) F2(0.031) F3(0.00883)
 Fixed U33: C3(0.05772) F1(0.06203) F2(0.11064) F3(0.09281)
4.a Secondary CH2 refined with riding coordinates:
 C01T(H6,HL)
4.b Idealised Me refined as rotating group:
 C017(H01A,H01B,H01C), C018(H01D,H01E,H01F), C01B(H01G,H01H,H01I), C01E(H01J,
 H01K,H01L), C01F(H01M,H01N,H01O), C01H(H01P,H01Q,H01R), C01I(H01S,H01T,H01U),
 C01J(H01V,H01W,H01X), C01K(H01Y,H,HA), C01L(H01Z,HB,HC), C01M(H01,HD,HE),
 C01N(H1,HF,HG), C01Q(H2,HH,HI), C01R(H3,HJ,HK), C01U(H4,HM,HN), C01X(H5,HO,HP),
  C20(H20A,H20B,H20C), C21(H21A,H21B,H21C)
4.c Idealised tetrahedral OH refined as rotating group:
 O00Z(H00Z)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ag01 Ag 0.31794(5) 0.41132(6) 0.46840(4) 0.0397(2) Uani 1 1 d . . . . .
Ag02 Ag 0.75443(6) 0.43202(6) 0.38525(4) 0.0428(2) Uani 1 1 d . . . . .
Ag03 Ag 0.81687(6) 0.46127(6) 0.51607(4) 0.0424(2) Uani 1 1 d . . . . .
Ag04 Ag 0.60587(6) 0.53389(6) 0.71202(4) 0.0430(2) Uani 1 1 d . . . . .
Ag05 Ag 0.59432(6) 0.45159(6) 0.30763(4) 0.0433(2) Uani 1 1 d . . . . .
Ag06 Ag 0.58717(5) 0.39300(7) 0.60838(4) 0.0430(2) Uani 1 1 d . . . . .
Ag07 Ag 0.38949(5) 0.42023(7) 0.60228(4) 0.0434(2) Uani 1 1 d . . . . .
Ag08 Ag 0.74070(6) 0.48393(7) 0.63815(4) 0.0455(2) Uani 1 1 d . . . . .
Ag09 Ag 0.48340(6) 0.36460(7) 0.39211(4) 0.0477(3) Uani 1 1 d . . . . .
Ag0A Ag 0.65127(7) 0.35521(7) 0.47885(4) 0.0497(3) Uani 1 1 d . . . . .
S00B S 0.25073(16) 0.43882(18) 0.55619(11) 0.0320(6) Uani 1 1 d . . . . .
S00C S 0.49603(15) 0.42713(17) 0.68310(11) 0.0292(5) Uani 1 1 d . . . . .
S00D S 0.62627(17) 0.33750(19) 0.37699(12) 0.0343(6) Uani 1 1 d . . . . .
S00E S 0.72381(16) 0.36759(18) 0.57233(11) 0.0322(6) Uani 1 1 d . . . . .
S00F S 0.33703(17) 0.38297(18) 0.36726(12) 0.0356(6) Uani 1 1 d . . . . .
O00H O 0.9082(6) 0.3630(6) 0.4858(4) 0.054(2) Uani 1 1 d . . . . .
F00I F 1.0280(6) 0.2672(7) 0.4107(5) 0.088(3) Uani 1 1 d . . . . .
F00J F 0.9259(6) 0.1871(6) 0.4117(4) 0.079(3) Uani 1 1 d . . . . .
F00K F 0.8333(6) 0.4967(9) 0.8662(4) 0.105(4) Uani 1 1 d . . . . .
F00L F 0.8967(6) 0.5710(6) 0.8099(4) 0.079(3) Uani 1 1 d . . . . .
O00M O 0.6750(6) 0.4410(7) 0.2329(4) 0.057(3) Uani 1 1 d . . . . .
F00N F 0.9890(6) 0.2222(7) 0.4887(4) 0.090(3) Uani 1 1 d . . . . .
O00O O 0.8680(6) 0.3439(7) 0.3944(4) 0.060(3) Uani 1 1 d . . . . .
F00P F 0.9184(7) 0.4440(7) 0.8149(5) 0.102(4) Uani 1 1 d . . . . .
O00Q O 0.8209(7) 0.4710(7) 0.7211(4) 0.069(3) Uani 1 1 d . . . . .
O00R O 0.7206(6) 0.4977(8) 0.7805(4) 0.068(3) Uani 1 1 d . . . . .
O00S O 0.7907(6) 0.4619(7) 0.2896(4) 0.062(3) Uani 1 1 d . . . . .
C00V C 0.8017(9) 0.4346(9) 0.1943(6) 0.051(3) Uani 1 1 d . . . . .
C00W C 0.9069(7) 0.3283(8) 0.4401(6) 0.043(3) Uani 1 1 d . . . . .
C00X C 0.7760(7) 0.2717(8) 0.6010(5) 0.041(3) Uani 1 1 d . . . . .
N00Y N 0.9092(6) 0.5187(8) 0.5896(5) 0.052(3) Uani 1 1 d . . . . .
O00Z O 0.6413(10) 0.5148(11) 0.8901(6) 0.105(5) Uani 1 1 d . . . . .
H00Z H 0.667017 0.502110 0.862837 0.157 Uiso 1 1 calc R U . . .
C011 C 0.9488(7) 0.5302(9) 0.6289(6) 0.047(3) Uani 1 1 d . . . . .
C012 C 0.8598(9) 0.4985(10) 0.8150(6) 0.054(3) Uani 1 1 d . . . . .
C013 C 0.7514(8) 0.4493(8) 0.2447(6) 0.044(3) Uani 1 1 d . . . . .
C015 C 0.4853(7) 0.3473(8) 0.7388(5) 0.039(3) Uani 1 1 d . . . . .
C016 C 0.9624(8) 0.2505(9) 0.4372(6) 0.052(3) Uani 1 1 d . . . . .
C017 C 1.0050(9) 0.5436(12) 0.6824(6) 0.072(5) Uani 1 1 d . . . . .
H01A H 1.044226 0.586212 0.675710 0.108 Uiso 1 1 calc R U . . .
H01B H 1.033323 0.492906 0.692503 0.108 Uiso 1 1 calc R U . . .
H01C H 0.972931 0.560331 0.712938 0.108 Uiso 1 1 calc R U . . .
C018 C 0.7803(10) 0.2108(9) 0.5517(6) 0.060(4) Uani 1 1 d . . . . .
H01D H 0.798356 0.239514 0.519204 0.090 Uiso 1 1 calc R U . . .
H01E H 0.726888 0.187522 0.542277 0.090 Uiso 1 1 calc R U . . .
H01F H 0.818326 0.167168 0.562548 0.090 Uiso 1 1 calc R U . . .
C019 C 0.7928(8) 0.4873(9) 0.7683(5) 0.047(3) Uani 1 1 d . . . . .
C01A C 0.6482(7) 0.2337(7) 0.3466(5) 0.039(3) Uani 1 1 d . . . . .
C01B C 0.1840(11) 0.2825(11) 0.5368(8) 0.081(6) Uani 1 1 d . . . . .
H01G H 0.155346 0.236067 0.551361 0.122 Uiso 1 1 calc R U . . .
H01H H 0.240702 0.268216 0.534408 0.122 Uiso 1 1 calc R U . . .
H01I H 0.159894 0.296669 0.499674 0.122 Uiso 1 1 calc R U . . .
C01C C 0.1778(7) 0.3579(8) 0.5772(5) 0.043(3) Uani 1 1 d . . . . .
C01D C 0.2782(8) 0.2912(9) 0.3375(6) 0.053(3) Uani 1 1 d . U . . .
C01E C 0.8625(9) 0.2939(10) 0.6235(7) 0.065(4) Uani 1 1 d . . . . .
H01J H 0.891704 0.244301 0.635129 0.097 Uiso 1 1 calc R U . . .
H01K H 0.860452 0.330495 0.655561 0.097 Uiso 1 1 calc R U . . .
H01L H 0.890156 0.321115 0.594230 0.097 Uiso 1 1 calc R U . . .
C01F C 0.7272(9) 0.2365(10) 0.6464(7) 0.062(4) Uani 1 1 d . . . . .
H01M H 0.672775 0.223776 0.630581 0.093 Uiso 1 1 calc R U . . .
H01N H 0.724398 0.276382 0.676419 0.093 Uiso 1 1 calc R U . . .
H01O H 0.753194 0.186785 0.661233 0.093 Uiso 1 1 calc R U . . .
C01H C 0.3320(10) 0.2472(13) 0.2998(10) 0.099(7) Uani 1 1 d . . . . .
H01P H 0.300200 0.207434 0.277143 0.148 Uiso 1 1 calc R U . . .
H01Q H 0.374775 0.219087 0.322372 0.148 Uiso 1 1 calc R U . . .
H01R H 0.355819 0.286560 0.275272 0.148 Uiso 1 1 calc R U . . .
C01I C 0.7044(10) 0.2457(10) 0.2990(7) 0.070(5) Uani 1 1 d . . . . .
H01S H 0.756737 0.265788 0.314533 0.105 Uiso 1 1 calc R U . . .
H01T H 0.680462 0.285305 0.272188 0.105 Uiso 1 1 calc R U . . .
H01U H 0.711563 0.193661 0.280205 0.105 Uiso 1 1 calc R U . . .
C01J C 0.5467(12) 0.3653(13) 0.7869(7) 0.091(7) Uani 1 1 d . . . . .
H01V H 0.597843 0.380700 0.772353 0.137 Uiso 1 1 calc R U . . .
H01W H 0.554624 0.316730 0.810302 0.137 Uiso 1 1 calc R U . . .
H01X H 0.527377 0.410085 0.809205 0.137 Uiso 1 1 calc R U . . .
C01K C 0.0911(8) 0.3956(11) 0.5717(8) 0.073(5) Uani 1 1 d . . . . .
H01Y H 0.078319 0.413697 0.533266 0.109 Uiso 1 1 calc R U . . .
H H 0.088982 0.442118 0.596987 0.109 Uiso 1 1 calc R U . . .
HA H 0.052001 0.354491 0.581406 0.109 Uiso 1 1 calc R U . . .
C01L C 0.2002(11) 0.3338(13) 0.6373(6) 0.080(6) Uani 1 1 d . . . . .
H01Z H 0.164170 0.290541 0.648251 0.120 Uiso 1 1 calc R U . . .
HB H 0.194998 0.381157 0.661550 0.120 Uiso 1 1 calc R U . . .
HC H 0.255854 0.314264 0.641002 0.120 Uiso 1 1 calc R U . . .
C01M C 0.3992(8) 0.3456(13) 0.7559(8) 0.091(7) Uani 1 1 d . . . . .
H01 H 0.383424 0.400329 0.766958 0.137 Uiso 1 1 calc R U . . .
HD H 0.395629 0.308200 0.787337 0.137 Uiso 1 1 calc R U . . .
HE H 0.363020 0.327103 0.724404 0.137 Uiso 1 1 calc R U . . .
C01N C 0.6908(13) 0.1838(11) 0.3905(8) 0.088(6) Uani 1 1 d . . . . .
H1 H 0.699940 0.129197 0.375981 0.132 Uiso 1 1 calc R U . . .
HF H 0.658020 0.179966 0.422528 0.132 Uiso 1 1 calc R U . . .
HG H 0.742516 0.209143 0.402189 0.132 Uiso 1 1 calc R U . . .
N01O N 0.5454(13) 0.6077(10) 0.7848(7) 0.111(7) Uani 1 1 d . . . . .
C01Q C 0.4609(11) 0.6075(16) 0.8753(9) 0.112(9) Uani 1 1 d . . . . .
H2 H 0.426041 0.655287 0.876974 0.167 Uiso 1 1 calc R U . . .
HH H 0.501376 0.608287 0.907082 0.167 Uiso 1 1 calc R U . . .
HI H 0.428451 0.557981 0.876713 0.167 Uiso 1 1 calc R U . . .
C01R C 0.5705(10) 0.1950(12) 0.3233(9) 0.086(6) Uani 1 1 d . . . . .
H3 H 0.543455 0.231214 0.295460 0.129 Uiso 1 1 calc R U . . .
HJ H 0.535409 0.185780 0.353562 0.129 Uiso 1 1 calc R U . . .
HK H 0.582169 0.142936 0.305845 0.129 Uiso 1 1 calc R U . . .
C01S C 0.5019(13) 0.6090(13) 0.8224(8) 0.089(6) Uani 1 1 d . . . . .
C01T C 0.670(2) 0.4672(15) 0.9386(12) 0.142(12) Uani 1 1 d . . . . .
H6 H 0.670599 0.408918 0.928283 0.171 Uiso 1 1 calc R U . . .
HL H 0.726682 0.483233 0.949725 0.171 Uiso 1 1 calc R U . . .
C01U C 0.5040(14) 0.2629(10) 0.7132(8) 0.091(7) Uani 1 1 d . . . . .
H4 H 0.465251 0.251807 0.681476 0.136 Uiso 1 1 calc R U . . .
HM H 0.500094 0.220448 0.741478 0.136 Uiso 1 1 calc R U . . .
HN H 0.558561 0.263415 0.700679 0.136 Uiso 1 1 calc R U . . .
C01X C 0.2041(10) 0.3239(11) 0.2988(9) 0.090(5) Uani 1 1 d . U . . .
H5 H 0.221048 0.370628 0.277226 0.135 Uiso 1 1 calc R U . . .
HO H 0.161058 0.340721 0.321847 0.135 Uiso 1 1 calc R U . . .
HP H 0.184223 0.280746 0.273220 0.135 Uiso 1 1 calc R U . . .
C20 C 0.625(2) 0.4774(19) 0.9833(11) 0.153(12) Uani 1 1 d . . . . .
H20A H 0.604291 0.533269 0.983593 0.230 Uiso 1 1 calc R U . . .
H20B H 0.657950 0.466929 1.017954 0.230 Uiso 1 1 calc R U . . .
H20C H 0.579467 0.439271 0.980257 0.230 Uiso 1 1 calc R U . . .
C21 C 0.2528(15) 0.2424(13) 0.3801(9) 0.111(6) Uani 1 1 d . U . . .
H21A H 0.299756 0.222728 0.403216 0.166 Uiso 1 1 calc R U . . .
H21B H 0.222474 0.195922 0.363968 0.166 Uiso 1 1 calc R U . . .
H21C H 0.218310 0.274223 0.403135 0.166 Uiso 1 1 calc R U . . .
C2 C 0.4482(11) 0.2595(12) 0.5338(7) 0.043(3) Uani 1 1 d . U . . .
C3 C 0.4556(12) 0.1458(11) 0.5291(7) 0.074 Uani 1 1 d . U . . .
S1 S 0.500000 0.500000 0.500000 0.366(17) Uani 1 2 d S . P . .
F1 F 0.4879(8) 0.1150(7) 0.5812(4) 0.100 Uani 1 1 d . U . . .
F2 F 0.3657(9) 0.1220(8) 0.5229(6) 0.123 Uani 1 1 d . U . . .
F3 F 0.4885(10) 0.1197(8) 0.4763(5) 0.125 Uani 1 1 d . U . . .
F5 F 0.8706(8) 0.4690(11) 0.1965(5) 0.142(6) Uani 1 1 d . . . . .
F6 F 0.7702(10) 0.4649(11) 0.1472(5) 0.149(7) Uani 1 1 d . . . . .
F4 F 0.8083(12) 0.3584(8) 0.1831(7) 0.169(8) Uani 1 1 d . . . . .
O1 O 0.4164(11) 0.2847(12) 0.4766(8) 0.020(3) Uiso 0.3333 1 d . U P . .
O3 O 0.5407(11) 0.2778(12) 0.5404(8) 0.021(4) Uiso 0.3333 1 d . . P . .
O2 O 0.4073(12) 0.2763(12) 0.5761(8) 0.024(4) Uiso 0.3333 1 d . . P . .
O12 O 0.4641(6) 0.2510(7) 0.5242(4) 0.022(2) Uiso 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
Ag01 Ag03 3.0526(13) 3_666 ?
Ag01 Ag07 3.2844(13) . ?
Ag01 Ag08 3.1156(14) 3_666 ?
Ag01 S00B 2.457(3) . ?
Ag01 S00F 2.471(3) . ?
Ag01 O1 2.596(18) . ?
Ag02 Ag03 3.2087(13) . ?
Ag02 Ag05 3.0914(13) . ?
Ag02 Ag07 3.3739(14) 3_666 ?
Ag02 Ag0A 3.1325(14) . ?
Ag02 S00B 2.502(3) 3_666 ?
Ag02 S00D 2.584(3) . ?
Ag02 O00O 2.332(9) . ?
Ag02 O00S 2.423(9) . ?
Ag03 Ag08 3.2432(13) . ?
Ag03 Ag0A 3.2622(15) . ?
Ag03 S00B 2.534(3) 3_666 ?
Ag03 S00E 2.580(3) . ?
Ag03 O00H 2.324(9) . ?
Ag03 N00Y 2.396(11) . ?
Ag04 Ag05 3.2760(13) 3_666 ?
Ag04 Ag06 3.3317(14) . ?
Ag04 Ag08 3.0201(13) . ?
Ag04 Ag09 3.2063(15) 3_666 ?
Ag04 S00C 2.540(3) . ?
Ag04 S00F 2.535(3) 3_666 ?
Ag04 O00R 2.448(10) . ?
Ag04 N01O 2.366(14) . ?
Ag05 Ag07 2.9595(14) 3_666 ?
Ag05 Ag09 3.1254(14) . ?
Ag05 S00C 2.468(3) 3_666 ?
Ag05 S00D 2.488(3) . ?
Ag05 O00M 2.287(9) . ?
Ag06 Ag07 3.2512(12) . ?
Ag06 Ag08 2.9423(14) . ?
Ag06 Ag0A 3.3597(13) . ?
Ag06 S00C 2.455(3) . ?
Ag06 S00E 2.483(3) . ?
Ag06 O3 2.530(19) . ?
Ag07 S00B 2.456(3) . ?
Ag07 S00C 2.483(3) . ?
Ag07 O2 2.42(2) . ?
Ag08 S00E 2.435(3) . ?
Ag08 S00F 2.490(3) 3_666 ?
Ag08 O00Q 2.280(10) . ?
Ag09 Ag0A 3.2964(14) . ?
Ag09 S00D 2.427(3) . ?
Ag09 S00F 2.436(3) . ?
Ag0A S00D 2.422(3) . ?
Ag0A S00E 2.429(3) . ?
S00B C01C 1.859(12) . ?
S00C C015 1.857(11) . ?
S00D C01A 1.864(11) . ?
S00E C00X 1.866(11) . ?
S00F C01D 1.871(13) . ?
O00H C00W 1.214(15) . ?
F00I C016 1.309(16) . ?
F00J C016 1.305(16) . ?
F00K C012 1.313(17) . ?
F00L C012 1.325(17) . ?
O00M C013 1.264(16) . ?
F00N C016 1.336(17) . ?
O00O C00W 1.234(15) . ?
F00P C012 1.298(17) . ?
O00Q C019 1.262(16) . ?
O00R C019 1.245(16) . ?
O00S C013 1.214(16) . ?
C00V C013 1.515(18) . ?
C00V F5 1.253(18) . ?
C00V F6 1.283(18) . ?
C00V F4 1.262(18) . ?
C00W C016 1.551(19) . ?
C00X C018 1.528(19) . ?
C00X C01E 1.513(18) . ?
C00X C01F 1.494(18) . ?
N00Y C011 1.102(16) . ?
O00Z H00Z 0.8200 . ?
O00Z C01T 1.43(3) . ?
C011 C017 1.520(19) . ?
C012 C019 1.503(17) . ?
C015 C01J 1.484(19) . ?
C015 C01M 1.493(17) . ?
C015 C01U 1.53(2) . ?
C017 H01A 0.9600 . ?
C017 H01B 0.9600 . ?
C017 H01C 0.9600 . ?
C018 H01D 0.9600 . ?
C018 H01E 0.9600 . ?
C018 H01F 0.9600 . ?
C01A C01I 1.515(19) . ?
C01A C01N 1.45(2) . ?
C01A C01R 1.482(19) . ?
C01B H01G 0.9600 . ?
C01B H01H 0.9600 . ?
C01B H01I 0.9600 . ?
C01B C01C 1.55(2) . ?
C01C C01K 1.536(18) . ?
C01C C01L 1.487(18) . ?
C01D C01H 1.48(2) . ?
C01D C01X 1.55(2) . ?
C01D C21 1.37(2) . ?
C01E H01J 0.9600 . ?
C01E H01K 0.9600 . ?
C01E H01L 0.9600 . ?
C01F H01M 0.9600 . ?
C01F H01N 0.9600 . ?
C01F H01O 0.9600 . ?
C01H H01P 0.9600 . ?
C01H H01Q 0.9600 . ?
C01H H01R 0.9600 . ?
C01I H01S 0.9600 . ?
C01I H01T 0.9600 . ?
C01I H01U 0.9600 . ?
C01J H01V 0.9600 . ?
C01J H01W 0.9600 . ?
C01J H01X 0.9600 . ?
C01K H01Y 0.9600 . ?
C01K H 0.9600 . ?
C01K HA 0.9600 . ?
C01L H01Z 0.9600 . ?
C01L HB 0.9600 . ?
C01L HC 0.9600 . ?
C01M H01 0.9600 . ?
C01M HD 0.9600 . ?
C01M HE 0.9600 . ?
C01N H1 0.9600 . ?
C01N HF 0.9600 . ?
C01N HG 0.9600 . ?
N01O C01S 1.18(2) . ?
C01Q H2 0.9600 . ?
C01Q HH 0.9600 . ?
C01Q HI 0.9600 . ?
C01Q C01S 1.46(3) . ?
C01R H3 0.9600 . ?
C01R HJ 0.9600 . ?
C01R HK 0.9600 . ?
C01T H6 0.9700 . ?
C01T HL 0.9700 . ?
C01T C20 1.35(3) . ?
C01U H4 0.9600 . ?
C01U HM 0.9600 . ?
C01U HN 0.9600 . ?
C01X H5 0.9600 . ?
C01X HO 0.9600 . ?
C01X HP 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C2 C3 1.84(3) . ?
C2 O1 1.46(3) . ?
C2 O3 1.54(3) . ?
C2 O2 1.27(3) . ?
C3 F1 1.391(18) . ?
C3 F2 1.51(2) . ?
C3 F3 1.45(2) . ?
C3 O12 1.70(2) . ?
O1 O12 1.42(2) . ?
O3 O12 1.35(2) . ?
O2 O12 1.64(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag03 Ag01 Ag07 93.56(3) 3_666 . ?
Ag03 Ag01 Ag08 63.43(3) 3_666 3_666 ?
Ag08 Ag01 Ag07 144.71(4) 3_666 . ?
S00B Ag01 Ag03 53.45(7) . 3_666 ?
S00B Ag01 Ag07 48.03(7) . . ?
S00B Ag01 Ag08 116.89(8) . 3_666 ?
S00B Ag01 S00F 160.74(10) . . ?
S00B Ag01 O1 113.2(4) . . ?
S00F Ag01 Ag03 112.68(8) . 3_666 ?
S00F Ag01 Ag07 150.90(8) . . ?
S00F Ag01 Ag08 51.36(8) . 3_666 ?
S00F Ag01 O1 78.7(4) . . ?
O1 Ag01 Ag03 165.5(4) . 3_666 ?
O1 Ag01 Ag07 77.9(4) . . ?
O1 Ag01 Ag08 129.5(4) . 3_666 ?
Ag03 Ag02 Ag07 89.13(3) . 3_666 ?
Ag05 Ag02 Ag03 138.28(4) . . ?
Ag05 Ag02 Ag07 54.27(3) . 3_666 ?
Ag05 Ag02 Ag0A 88.91(4) . . ?
Ag0A Ag02 Ag03 61.91(3) . . ?
Ag0A Ag02 Ag07 78.52(3) . 3_666 ?
S00B Ag02 Ag03 50.87(7) 3_666 . ?
S00B Ag02 Ag05 100.33(7) 3_666 . ?
S00B Ag02 Ag07 46.55(6) 3_666 3_666 ?
S00B Ag02 Ag0A 84.07(7) 3_666 . ?
S00B Ag02 S00D 118.04(9) 3_666 . ?
S00D Ag02 Ag03 110.79(7) . . ?
S00D Ag02 Ag05 51.06(7) . . ?
S00D Ag02 Ag07 81.73(7) . 3_666 ?
S00D Ag02 Ag0A 49.00(7) . . ?
O00O Ag02 Ag03 79.0(2) . . ?
O00O Ag02 Ag05 138.4(2) . . ?
O00O Ag02 Ag07 167.3(2) . 3_666 ?
O00O Ag02 Ag0A 99.3(3) . . ?
O00O Ag02 S00B 121.0(3) . 3_666 ?
O00O Ag02 S00D 106.4(3) . . ?
O00O Ag02 O00S 87.6(4) . . ?
O00S Ag02 Ag03 141.6(2) . . ?
O00S Ag02 Ag05 71.6(2) . . ?
O00S Ag02 Ag07 99.4(3) . 3_666 ?
O00S Ag02 Ag0A 156.5(3) . . ?
O00S Ag02 S00B 111.7(3) . 3_666 ?
O00S Ag02 S00D 107.5(3) . . ?
Ag01 Ag03 Ag02 92.01(3) 3_666 . ?
Ag01 Ag03 Ag08 59.23(3) 3_666 . ?
Ag01 Ag03 Ag0A 78.07(3) 3_666 . ?
Ag02 Ag03 Ag08 138.99(4) . . ?
Ag02 Ag03 Ag0A 57.90(3) . . ?
Ag08 Ag03 Ag0A 86.04(3) . . ?
S00B Ag03 Ag01 51.15(7) 3_666 3_666 ?
S00B Ag03 Ag02 49.98(7) 3_666 . ?
S00B Ag03 Ag08 110.38(7) 3_666 . ?
S00B Ag03 Ag0A 80.91(7) 3_666 . ?
S00B Ag03 S00E 118.26(9) 3_666 . ?
S00E Ag03 Ag01 82.67(7) . 3_666 ?
S00E Ag03 Ag02 104.60(7) . . ?
S00E Ag03 Ag08 47.78(7) . . ?
S00E Ag03 Ag0A 47.39(6) . . ?
O00H Ag03 Ag01 168.7(2) . 3_666 ?
O00H Ag03 Ag02 76.7(2) . . ?
O00H Ag03 Ag08 130.4(2) . . ?
O00H Ag03 Ag0A 95.7(2) . . ?
O00H Ag03 S00B 118.9(2) . 3_666 ?
O00H Ag03 S00E 100.2(3) . . ?
O00H Ag03 N00Y 95.8(4) . . ?
N00Y Ag03 Ag01 94.2(3) . 3_666 ?
N00Y Ag03 Ag02 152.7(3) . . ?
N00Y Ag03 Ag08 65.0(3) . . ?
N00Y Ag03 Ag0A 149.3(3) . . ?
N00Y Ag03 S00B 117.3(3) . 3_666 ?
N00Y Ag03 S00E 102.5(3) . . ?
Ag05 Ag04 Ag06 84.86(3) 3_666 . ?
Ag08 Ag04 Ag05 134.56(4) . 3_666 ?
Ag08 Ag04 Ag06 54.93(3) . . ?
Ag08 Ag04 Ag09 90.18(4) . 3_666 ?
Ag09 Ag04 Ag05 57.64(3) 3_666 3_666 ?
Ag09 Ag04 Ag06 76.98(3) 3_666 . ?
S00C Ag04 Ag05 48.20(6) . 3_666 ?
S00C Ag04 Ag06 47.07(6) . . ?
S00C Ag04 Ag08 101.31(7) . . ?
S00C Ag04 Ag09 82.48(7) . 3_666 ?
S00F Ag04 Ag05 106.13(7) 3_666 3_666 ?
S00F Ag04 Ag06 80.62(7) 3_666 . ?
S00F Ag04 Ag08 52.37(7) 3_666 . ?
S00F Ag04 Ag09 48.49(7) 3_666 3_666 ?
S00F Ag04 S00C 116.86(9) 3_666 . ?
O00R Ag04 Ag05 144.7(2) . 3_666 ?
O00R Ag04 Ag06 110.1(3) . . ?
O00R Ag04 Ag08 76.2(3) . . ?
O00R Ag04 Ag09 155.0(2) . 3_666 ?
O00R Ag04 S00C 120.3(3) . . ?
O00R Ag04 S00F 107.8(2) . 3_666 ?
N01O Ag04 Ag05 66.4(6) . 3_666 ?
N01O Ag04 Ag06 148.7(5) . . ?
N01O Ag04 Ag08 156.3(5) . . ?
N01O Ag04 Ag09 96.2(5) . 3_666 ?
N01O Ag04 S00C 102.1(5) . . ?
N01O Ag04 S00F 117.9(4) . 3_666 ?
N01O Ag04 O00R 89.0(6) . . ?
Ag02 Ag05 Ag04 151.79(4) . 3_666 ?
Ag02 Ag05 Ag09 94.73(4) . . ?
Ag07 Ag05 Ag02 67.74(3) 3_666 . ?
Ag07 Ag05 Ag04 94.88(3) 3_666 3_666 ?
Ag07 Ag05 Ag09 83.08(4) 3_666 . ?
Ag09 Ag05 Ag04 60.06(3) . 3_666 ?
S00C Ag05 Ag02 120.85(7) 3_666 . ?
S00C Ag05 Ag04 50.12(6) 3_666 3_666 ?
S00C Ag05 Ag07 53.52(6) 3_666 3_666 ?
S00C Ag05 Ag09 85.32(7) 3_666 . ?
S00C Ag05 S00D 128.53(9) 3_666 . ?
S00D Ag05 Ag02 53.86(7) . . ?
S00D Ag05 Ag04 107.61(7) . 3_666 ?
S00D Ag05 Ag07 92.33(7) . 3_666 ?
S00D Ag05 Ag09 49.66(7) . . ?
O00M Ag05 Ag02 86.4(2) . . ?
O00M Ag05 Ag04 121.6(2) . 3_666 ?
O00M Ag05 Ag07 125.5(3) . 3_666 ?
O00M Ag05 Ag09 148.7(3) . . ?
O00M Ag05 S00C 120.8(3) . 3_666 ?
O00M Ag05 S00D 110.3(3) . . ?
Ag04 Ag06 Ag0A 140.61(4) . . ?
Ag07 Ag06 Ag04 88.60(3) . . ?
Ag07 Ag06 Ag0A 111.22(4) . . ?
Ag08 Ag06 Ag04 57.15(3) . . ?
Ag08 Ag06 Ag07 140.27(4) . . ?
Ag08 Ag06 Ag0A 89.29(3) . . ?
S00C Ag06 Ag04 49.27(7) . . ?
S00C Ag06 Ag07 49.19(6) . . ?
S00C Ag06 Ag08 105.67(7) . . ?
S00C Ag06 Ag0A 160.33(7) . . ?
S00C Ag06 S00E 153.31(10) . . ?
S00C Ag06 O3 116.7(4) . . ?
S00E Ag06 Ag04 109.22(7) . . ?
S00E Ag06 Ag07 157.39(7) . . ?
S00E Ag06 Ag08 52.51(7) . . ?
S00E Ag06 Ag0A 46.19(7) . . ?
S00E Ag06 O3 84.0(4) . . ?
O3 Ag06 Ag04 166.0(4) . . ?
O3 Ag06 Ag07 79.8(4) . . ?
O3 Ag06 Ag08 136.5(4) . . ?
O3 Ag06 Ag0A 52.4(4) . . ?
Ag01 Ag07 Ag02 85.16(3) . 3_666 ?
Ag05 Ag07 Ag01 136.56(4) 3_666 . ?
Ag05 Ag07 Ag02 57.99(3) 3_666 3_666 ?
Ag05 Ag07 Ag06 91.63(3) 3_666 . ?
Ag06 Ag07 Ag01 108.40(4) . . ?
Ag06 Ag07 Ag02 141.97(4) . 3_666 ?
S00B Ag07 Ag01 48.05(7) . . ?
S00B Ag07 Ag02 47.69(7) . 3_666 ?
S00B Ag07 Ag05 105.15(8) . 3_666 ?
S00B Ag07 Ag06 156.34(7) . . ?
S00B Ag07 S00C 154.57(10) . . ?
S00C Ag07 Ag01 156.43(7) . . ?
S00C Ag07 Ag02 110.71(7) . 3_666 ?
S00C Ag07 Ag05 53.06(7) . 3_666 ?
S00C Ag07 Ag06 48.44(6) . . ?
O2 Ag07 Ag01 75.8(5) . . ?
O2 Ag07 Ag02 142.7(5) . 3_666 ?
O2 Ag07 Ag05 147.6(5) . 3_666 ?
O2 Ag07 Ag06 75.2(5) . . ?
O2 Ag07 S00B 97.4(5) . . ?
O2 Ag07 S00C 98.5(5) . . ?
Ag01 Ag08 Ag03 57.34(3) 3_666 . ?
Ag04 Ag08 Ag01 97.36(4) . 3_666 ?
Ag04 Ag08 Ag03 152.67(4) . . ?
Ag06 Ag08 Ag01 82.73(4) . 3_666 ?
Ag06 Ag08 Ag03 96.33(4) . . ?
Ag06 Ag08 Ag04 67.93(3) . . ?
S00E Ag08 Ag01 83.68(7) . 3_666 ?
S00E Ag08 Ag03 51.69(7) . . ?
S00E Ag08 Ag04 121.37(8) . . ?
S00E Ag08 Ag06 54.00(7) . . ?
S00E Ag08 S00F 126.68(10) . 3_666 ?
S00F Ag08 Ag01 50.83(7) 3_666 3_666 ?
S00F Ag08 Ag03 106.28(8) 3_666 . ?
S00F Ag08 Ag04 53.74(7) 3_666 . ?
S00F Ag08 Ag06 89.67(7) 3_666 . ?
O00Q Ag08 Ag01 149.6(3) . 3_666 ?
O00Q Ag08 Ag03 121.2(3) . . ?
O00Q Ag08 Ag04 85.7(3) . . ?
O00Q Ag08 Ag06 125.6(3) . . ?
O00Q Ag08 S00E 120.4(3) . . ?
O00Q Ag08 S00F 112.3(3) . 3_666 ?
Ag04 Ag09 Ag0A 143.75(4) 3_666 . ?
Ag05 Ag09 Ag04 62.30(3) . 3_666 ?
Ag05 Ag09 Ag0A 85.45(3) . . ?
S00D Ag09 Ag04 111.42(8) . 3_666 ?
S00D Ag09 Ag05 51.39(8) . . ?
S00D Ag09 Ag0A 47.11(7) . . ?
S00D Ag09 S00F 157.46(10) . . ?
S00F Ag09 Ag04 51.19(7) . 3_666 ?
S00F Ag09 Ag05 113.49(8) . . ?
S00F Ag09 Ag0A 155.42(8) . . ?
Ag02 Ag0A Ag03 60.20(3) . . ?
Ag02 Ag0A Ag06 142.29(4) . . ?
Ag02 Ag0A Ag09 90.66(3) . . ?
Ag03 Ag0A Ag06 88.30(3) . . ?
Ag03 Ag0A Ag09 140.91(4) . . ?
Ag09 Ag0A Ag06 104.68(4) . . ?
S00D Ag0A Ag02 53.61(7) . . ?
S00D Ag0A Ag03 113.69(8) . . ?
S00D Ag0A Ag06 151.92(8) . . ?
S00D Ag0A Ag09 47.24(7) . . ?
S00D Ag0A S00E 160.53(10) . . ?
S00E Ag0A Ag02 110.83(8) . . ?
S00E Ag0A Ag03 51.41(7) . . ?
S00E Ag0A Ag06 47.51(7) . . ?
S00E Ag0A Ag09 152.11(8) . . ?
Ag01 S00B Ag02 130.63(12) . 3_666 ?
Ag01 S00B Ag03 75.39(8) . 3_666 ?
Ag02 S00B Ag03 79.15(9) 3_666 3_666 ?
Ag07 S00B Ag01 83.91(9) . . ?
Ag07 S00B Ag02 85.76(9) . 3_666 ?
Ag07 S00B Ag03 135.62(12) . 3_666 ?
C01C S00B Ag01 115.8(4) . . ?
C01C S00B Ag02 112.7(4) . 3_666 ?
C01C S00B Ag03 111.7(4) . 3_666 ?
C01C S00B Ag07 112.6(4) . . ?
Ag05 S00C Ag04 81.69(9) 3_666 . ?
Ag05 S00C Ag07 73.42(8) 3_666 . ?
Ag06 S00C Ag04 83.65(8) . . ?
Ag06 S00C Ag05 129.83(11) . 3_666 ?
Ag06 S00C Ag07 82.36(8) . . ?
Ag07 S00C Ag04 132.49(11) . . ?
C015 S00C Ag04 112.5(4) . . ?
C015 S00C Ag05 113.3(4) . 3_666 ?
C015 S00C Ag06 116.7(4) . . ?
C015 S00C Ag07 114.4(4) . . ?
Ag05 S00D Ag02 75.08(9) . . ?
Ag09 S00D Ag02 131.73(12) . . ?
Ag09 S00D Ag05 78.94(9) . . ?
Ag0A S00D Ag02 77.40(9) . . ?
Ag0A S00D Ag05 125.15(12) . . ?
Ag0A S00D Ag09 85.65(9) . . ?
C01A S00D Ag02 112.2(4) . . ?
C01A S00D Ag05 116.5(4) . . ?
C01A S00D Ag09 115.7(4) . . ?
C01A S00D Ag0A 117.7(4) . . ?
Ag06 S00E Ag03 131.33(12) . . ?
Ag08 S00E Ag03 80.52(9) . . ?
Ag08 S00E Ag06 73.49(8) . . ?
Ag0A S00E Ag03 81.20(9) . . ?
Ag0A S00E Ag06 86.30(9) . . ?
Ag0A S00E Ag08 131.68(12) . . ?
C00X S00E Ag03 113.5(4) . . ?
C00X S00E Ag06 114.2(4) . . ?
C00X S00E Ag08 112.3(4) . . ?
C00X S00E Ag0A 116.0(4) . . ?
Ag01 S00F Ag04 134.02(12) . 3_666 ?
Ag01 S00F Ag08 77.81(9) . 3_666 ?
Ag08 S00F Ag04 73.89(9) 3_666 3_666 ?
Ag09 S00F Ag01 89.11(10) . . ?
Ag09 S00F Ag04 80.31(9) . 3_666 ?
Ag09 S00F Ag08 127.18(12) . 3_666 ?
C01D S00F Ag01 114.1(5) . . ?
C01D S00F Ag04 110.4(5) . 3_666 ?
C01D S00F Ag08 114.6(5) . 3_666 ?
C01D S00F Ag09 117.5(5) . . ?
C00W O00H Ag03 128.2(8) . . ?
C013 O00M Ag05 116.1(8) . . ?
C00W O00O Ag02 123.9(8) . . ?
C019 O00Q Ag08 120.8(9) . . ?
C019 O00R Ag04 124.7(8) . . ?
C013 O00S Ag02 129.0(9) . . ?
F5 C00V C013 115.9(13) . . ?
F5 C00V F6 99.6(15) . . ?
F5 C00V F4 110.4(16) . . ?
F6 C00V C013 114.4(12) . . ?
F4 C00V C013 112.1(12) . . ?
F4 C00V F6 103.0(16) . . ?
O00H C00W O00O 130.9(13) . . ?
O00H C00W C016 116.1(12) . . ?
O00O C00W C016 113.0(11) . . ?
C018 C00X S00E 107.5(9) . . ?
C01E C00X S00E 108.7(9) . . ?
C01E C00X C018 108.9(12) . . ?
C01F C00X S00E 108.6(9) . . ?
C01F C00X C018 111.1(12) . . ?
C01F C00X C01E 111.9(12) . . ?
C011 N00Y Ag03 165.4(13) . . ?
C01T O00Z H00Z 109.5 . . ?
N00Y C011 C017 178.2(16) . . ?
F00K C012 F00L 106.7(13) . . ?
F00K C012 C019 113.5(12) . . ?
F00L C012 C019 110.5(12) . . ?
F00P C012 F00K 106.3(14) . . ?
F00P C012 F00L 104.7(12) . . ?
F00P C012 C019 114.5(13) . . ?
O00M C013 C00V 113.4(12) . . ?
O00S C013 O00M 131.0(12) . . ?
O00S C013 C00V 115.4(12) . . ?
C01J C015 S00C 108.1(9) . . ?
C01J C015 C01M 113.2(14) . . ?
C01J C015 C01U 109.3(14) . . ?
C01M C015 S00C 110.3(9) . . ?
C01M C015 C01U 108.2(14) . . ?
C01U C015 S00C 107.7(9) . . ?
F00I C016 F00N 106.4(11) . . ?
F00I C016 C00W 110.9(13) . . ?
F00J C016 F00I 107.6(12) . . ?
F00J C016 F00N 104.9(13) . . ?
F00J C016 C00W 113.8(10) . . ?
F00N C016 C00W 112.8(11) . . ?
C011 C017 H01A 109.5 . . ?
C011 C017 H01B 109.5 . . ?
C011 C017 H01C 109.5 . . ?
H01A C017 H01B 109.5 . . ?
H01A C017 H01C 109.5 . . ?
H01B C017 H01C 109.5 . . ?
C00X C018 H01D 109.5 . . ?
C00X C018 H01E 109.5 . . ?
C00X C018 H01F 109.5 . . ?
H01D C018 H01E 109.5 . . ?
H01D C018 H01F 109.5 . . ?
H01E C018 H01F 109.5 . . ?
O00Q C019 C012 112.1(12) . . ?
O00R C019 O00Q 130.3(12) . . ?
O00R C019 C012 117.6(12) . . ?
C01I C01A S00D 108.4(9) . . ?
C01N C01A S00D 108.6(10) . . ?
C01N C01A C01I 108.4(13) . . ?
C01N C01A C01R 112.5(15) . . ?
C01R C01A S00D 109.6(10) . . ?
C01R C01A C01I 109.3(13) . . ?
H01G C01B H01H 109.5 . . ?
H01G C01B H01I 109.5 . . ?
H01H C01B H01I 109.5 . . ?
C01C C01B H01G 109.5 . . ?
C01C C01B H01H 109.5 . . ?
C01C C01B H01I 109.5 . . ?
C01B C01C S00B 108.1(9) . . ?
C01K C01C S00B 107.8(10) . . ?
C01K C01C C01B 111.1(12) . . ?
C01L C01C S00B 108.7(9) . . ?
C01L C01C C01B 111.0(14) . . ?
C01L C01C C01K 110.0(13) . . ?
C01H C01D S00F 107.0(10) . . ?
C01H C01D C01X 106.3(14) . . ?
C01X C01D S00F 107.9(11) . . ?
C21 C01D S00F 110.8(11) . . ?
C21 C01D C01H 113.3(18) . . ?
C21 C01D C01X 111.2(16) . . ?
C00X C01E H01J 109.5 . . ?
C00X C01E H01K 109.5 . . ?
C00X C01E H01L 109.5 . . ?
H01J C01E H01K 109.5 . . ?
H01J C01E H01L 109.5 . . ?
H01K C01E H01L 109.5 . . ?
C00X C01F H01M 109.5 . . ?
C00X C01F H01N 109.5 . . ?
C00X C01F H01O 109.5 . . ?
H01M C01F H01N 109.5 . . ?
H01M C01F H01O 109.5 . . ?
H01N C01F H01O 109.5 . . ?
C01D C01H H01P 109.5 . . ?
C01D C01H H01Q 109.5 . . ?
C01D C01H H01R 109.5 . . ?
H01P C01H H01Q 109.5 . . ?
H01P C01H H01R 109.5 . . ?
H01Q C01H H01R 109.5 . . ?
C01A C01I H01S 109.5 . . ?
C01A C01I H01T 109.5 . . ?
C01A C01I H01U 109.5 . . ?
H01S C01I H01T 109.5 . . ?
H01S C01I H01U 109.5 . . ?
H01T C01I H01U 109.5 . . ?
C015 C01J H01V 109.5 . . ?
C015 C01J H01W 109.5 . . ?
C015 C01J H01X 109.5 . . ?
H01V C01J H01W 109.5 . . ?
H01V C01J H01X 109.5 . . ?
H01W C01J H01X 109.5 . . ?
C01C C01K H01Y 109.5 . . ?
C01C C01K H 109.5 . . ?
C01C C01K HA 109.5 . . ?
H01Y C01K H 109.5 . . ?
H01Y C01K HA 109.5 . . ?
H C01K HA 109.5 . . ?
C01C C01L H01Z 109.5 . . ?
C01C C01L HB 109.5 . . ?
C01C C01L HC 109.5 . . ?
H01Z C01L HB 109.5 . . ?
H01Z C01L HC 109.5 . . ?
HB C01L HC 109.5 . . ?
C015 C01M H01 109.5 . . ?
C015 C01M HD 109.5 . . ?
C015 C01M HE 109.5 . . ?
H01 C01M HD 109.5 . . ?
H01 C01M HE 109.5 . . ?
HD C01M HE 109.5 . . ?
C01A C01N H1 109.5 . . ?
C01A C01N HF 109.5 . . ?
C01A C01N HG 109.5 . . ?
H1 C01N HF 109.5 . . ?
H1 C01N HG 109.5 . . ?
HF C01N HG 109.5 . . ?
C01S N01O Ag04 149.8(15) . . ?
H2 C01Q HH 109.5 . . ?
H2 C01Q HI 109.5 . . ?
HH C01Q HI 109.5 . . ?
C01S C01Q H2 109.5 . . ?
C01S C01Q HH 109.5 . . ?
C01S C01Q HI 109.5 . . ?
C01A C01R H3 109.5 . . ?
C01A C01R HJ 109.5 . . ?
C01A C01R HK 109.5 . . ?
H3 C01R HJ 109.5 . . ?
H3 C01R HK 109.5 . . ?
HJ C01R HK 109.5 . . ?
N01O C01S C01Q 170(3) . . ?
O00Z C01T H6 109.0 . . ?
O00Z C01T HL 109.0 . . ?
H6 C01T HL 107.8 . . ?
C20 C01T O00Z 113(2) . . ?
C20 C01T H6 109.0 . . ?
C20 C01T HL 109.0 . . ?
C015 C01U H4 109.5 . . ?
C015 C01U HM 109.5 . . ?
C015 C01U HN 109.5 . . ?
H4 C01U HM 109.5 . . ?
H4 C01U HN 109.5 . . ?
HM C01U HN 109.5 . . ?
C01D C01X H5 109.5 . . ?
C01D C01X HO 109.5 . . ?
C01D C01X HP 109.5 . . ?
H5 C01X HO 109.5 . . ?
H5 C01X HP 109.5 . . ?
HO C01X HP 109.5 . . ?
C01T C20 H20A 109.5 . . ?
C01T C20 H20B 109.5 . . ?
C01T C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C01D C21 H21A 109.5 . . ?
C01D C21 H21B 109.5 . . ?
C01D C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O1 C2 C3 103.9(14) . . ?
O1 C2 O3 108.5(15) . . ?
O3 C2 C3 97.4(14) . . ?
O2 C2 C3 107.5(15) . . ?
O2 C2 O1 119.5(18) . . ?
O2 C2 O3 116.8(17) . . ?
F1 C3 C2 108.9(14) . . ?
F1 C3 F2 107.1(13) . . ?
F1 C3 F3 120.9(13) . . ?
F1 C3 O12 112.7(14) . . ?
F2 C3 C2 101.0(12) . . ?
F2 C3 O12 109.1(11) . . ?
F3 C3 C2 111.6(13) . . ?
F3 C3 F2 105.3(15) . . ?
F3 C3 O12 101.1(11) . . ?
O12 C3 C2 11.5(7) . . ?
C2 O1 Ag01 117.4(12) . . ?
O12 O1 Ag01 131.0(11) . . ?
O12 O1 C2 15.1(9) . . ?
C2 O3 Ag06 116.8(12) . . ?
O12 O3 Ag06 129.8(12) . . ?
O12 O3 C2 13.3(9) . . ?
C2 O2 Ag07 119.0(15) . . ?
C2 O2 O12 3.7(11) . . ?
O12 O2 Ag07 120.9(11) . . ?
O1 O12 C3 112.9(11) . . ?
O1 O12 O2 100.8(11) . . ?
O3 O12 C3 112.1(12) . . ?
O3 O12 O1 122.6(13) . . ?
O3 O12 O2 105.9(12) . . ?
O2 O12 C3 98.3(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 S00B C01C C01B 7.2(12) . . . . ?
Ag01 S00B C01C C01K -113.0(10) . . . . ?
Ag01 S00B C01C C01L 127.8(11) . . . . ?
Ag01 S00F C01D C01H -140.6(12) . . . . ?
Ag01 S00F C01D C01X 105.3(11) . . . . ?
Ag01 S00F C01D C21 -16.7(17) . . . . ?
Ag01 O1 O12 C3 133.4(12) . . . . ?
Ag01 O1 O12 O3 -87.4(17) . . . . ?
Ag01 O1 O12 O2 29.5(17) . . . . ?
Ag02 S00B C01C C01B 177.9(10) 3_666 . . . ?
Ag02 S00B C01C C01K 57.7(10) 3_666 . . . ?
Ag02 S00B C01C C01L -61.5(12) 3_666 . . . ?
Ag02 S00D C01A C01I -40.0(11) . . . . ?
Ag02 S00D C01A C01N 77.6(12) . . . . ?
Ag02 S00D C01A C01R -159.3(11) . . . . ?
Ag02 O00O C00W O00H -16(2) . . . . ?
Ag02 O00O C00W C016 163.6(8) . . . . ?
Ag02 O00S C013 O00M 24(2) . . . . ?
Ag02 O00S C013 C00V -151.2(9) . . . . ?
Ag03 S00B C01C C01B 90.9(11) 3_666 . . . ?
Ag03 S00B C01C C01K -29.3(11) 3_666 . . . ?
Ag03 S00B C01C C01L -148.4(11) 3_666 . . . ?
Ag03 S00E C00X C018 -76.8(9) . . . . ?
Ag03 S00E C00X C01E 40.9(11) . . . . ?
Ag03 S00E C00X C01F 162.9(9) . . . . ?
Ag03 O00H C00W O00O 14(2) . . . . ?
Ag03 O00H C00W C016 -165.2(9) . . . . ?
Ag04 S00C C015 C01J -1.5(13) . . . . ?
Ag04 S00C C015 C01M 122.7(11) . . . . ?
Ag04 S00C C015 C01U -119.5(11) . . . . ?
Ag04 S00F C01D C01H 51.2(14) 3_666 . . . ?
Ag04 S00F C01D C01X -62.9(12) 3_666 . . . ?
Ag04 S00F C01D C21 175.1(14) 3_666 . . . ?
Ag04 O00R C019 O00Q -21(2) . . . . ?
Ag04 O00R C019 C012 156.6(10) . . . . ?
Ag04 N01O C01S C01Q 93(12) . . . . ?
Ag05 S00C C015 C01J -91.9(12) 3_666 . . . ?
Ag05 S00C C015 C01M 32.3(13) 3_666 . . . ?
Ag05 S00C C015 C01U 150.1(10) 3_666 . . . ?
Ag05 S00D C01A C01I 43.8(11) . . . . ?
Ag05 S00D C01A C01N 161.4(11) . . . . ?
Ag05 S00D C01A C01R -75.4(12) . . . . ?
Ag05 O00M C013 O00S 0(2) . . . . ?
Ag05 O00M C013 C00V 175.3(8) . . . . ?
Ag06 S00C C015 C01J 92.7(12) . . . . ?
Ag06 S00C C015 C01M -143.0(11) . . . . ?
Ag06 S00C C015 C01U -25.2(12) . . . . ?
Ag06 S00E C00X C018 112.9(9) . . . . ?
Ag06 S00E C00X C01E -129.4(9) . . . . ?
Ag06 S00E C00X C01F -7.4(11) . . . . ?
Ag06 O3 O12 C3 -131.1(13) . . . . ?
Ag06 O3 O12 O1 89.5(18) . . . . ?
Ag06 O3 O12 O2 -24.9(18) . . . . ?
Ag07 S00B C01C C01B -87.1(11) . . . . ?
Ag07 S00B C01C C01K 152.7(9) . . . . ?
Ag07 S00B C01C C01L 33.6(12) . . . . ?
Ag07 S00C C015 C01J -173.5(11) . . . . ?
Ag07 S00C C015 C01M -49.3(13) . . . . ?
Ag07 S00C C015 C01U 68.5(11) . . . . ?
Ag07 O2 O12 C3 177.6(11) . . . . ?
Ag07 O2 O12 O1 -67.0(14) . . . . ?
Ag07 O2 O12 O3 61.7(15) . . . . ?
Ag08 S00E C00X C018 -165.9(8) . . . . ?
Ag08 S00E C00X C01E -48.2(10) . . . . ?
Ag08 S00E C00X C01F 73.8(10) . . . . ?
Ag08 S00F C01D C01H 132.2(12) 3_666 . . . ?
Ag08 S00F C01D C01X 18.1(13) 3_666 . . . ?
Ag08 S00F C01D C21 -103.8(15) 3_666 . . . ?
Ag08 O00Q C019 O00R 14(2) . . . . ?
Ag08 O00Q C019 C012 -163.7(9) . . . . ?
Ag09 S00D C01A C01I 133.9(9) . . . . ?
Ag09 S00D C01A C01N -108.5(11) . . . . ?
Ag09 S00D C01A C01R 14.7(13) . . . . ?
Ag09 S00F C01D C01H -38.3(14) . . . . ?
Ag09 S00F C01D C01X -152.4(10) . . . . ?
Ag09 S00F C01D C21 85.6(16) . . . . ?
Ag0A S00D C01A C01I -127.1(9) . . . . ?
Ag0A S00D C01A C01N -9.5(13) . . . . ?
Ag0A S00D C01A C01R 113.7(11) . . . . ?
Ag0A S00E C00X C018 14.7(10) . . . . ?
Ag0A S00E C00X C01E 132.4(9) . . . . ?
Ag0A S00E C00X C01F -105.5(10) . . . . ?
O00H C00W C016 F00I -104.8(14) . . . . ?
O00H C00W C016 F00J 133.7(13) . . . . ?
O00H C00W C016 F00N 14.4(17) . . . . ?
F00K C012 C019 O00Q -165.4(14) . . . . ?
F00K C012 C019 O00R 17(2) . . . . ?
F00L C012 C019 O00Q 74.8(17) . . . . ?
F00L C012 C019 O00R -103.0(16) . . . . ?
O00O C00W C016 F00I 75.8(14) . . . . ?
O00O C00W C016 F00J -45.7(17) . . . . ?
O00O C00W C016 F00N -165.0(12) . . . . ?
F00P C012 C019 O00Q -43.1(19) . . . . ?
F00P C012 C019 O00R 139.1(15) . . . . ?
C2 C3 O12 O1 -95(4) . . . . ?
C2 C3 O12 O3 122(5) . . . . ?
C2 C3 O12 O2 11(4) . . . . ?
C2 O1 O12 C3 105(4) . . . . ?
C2 O1 O12 O3 -115(5) . . . . ?
C2 O1 O12 O2 2(4) . . . . ?
C2 O3 O12 C3 -118(5) . . . . ?
C2 O3 O12 O1 103(5) . . . . ?
C2 O3 O12 O2 -11(4) . . . . ?
C2 O2 O12 C3 -123(19) . . . . ?
C2 O2 O12 O1 -7(18) . . . . ?
C2 O2 O12 O3 121(19) . . . . ?
C3 C2 O1 Ag01 145.5(11) . . . . ?
C3 C2 O1 O12 -58(4) . . . . ?
C3 C2 O3 Ag06 -141.5(10) . . . . ?
C3 C2 O3 O12 50(4) . . . . ?
C3 C2 O2 Ag07 176.1(10) . . . . ?
C3 C2 O2 O12 54(18) . . . . ?
F1 C3 O12 O1 -167.5(13) . . . . ?
F1 C3 O12 O3 49.0(17) . . . . ?
F1 C3 O12 O2 -62.0(15) . . . . ?
F2 C3 O12 O1 -48.7(15) . . . . ?
F2 C3 O12 O3 167.8(13) . . . . ?
F2 C3 O12 O2 56.8(14) . . . . ?
F3 C3 O12 O1 62.0(15) . . . . ?
F3 C3 O12 O3 -81.5(15) . . . . ?
F3 C3 O12 O2 167.5(13) . . . . ?
F5 C00V C013 O00M 155.5(15) . . . . ?
F5 C00V C013 O00S -29(2) . . . . ?
F6 C00V C013 O00M 40(2) . . . . ?
F6 C00V C013 O00S -143.9(16) . . . . ?
F4 C00V C013 O00M -76.4(19) . . . . ?
F4 C00V C013 O00S 99.3(19) . . . . ?
O1 C2 C3 F1 178.2(14) . . . . ?
O1 C2 C3 F2 -69.3(15) . . . . ?
O1 C2 C3 F3 42.2(19) . . . . ?
O1 C2 C3 O12 67(4) . . . . ?
O1 C2 O3 Ag06 111.1(15) . . . . ?
O1 C2 O3 O12 -57(4) . . . . ?
O1 C2 O2 Ag07 -66(2) . . . . ?
O1 C2 O2 O12 172(20) . . . . ?
O3 C2 C3 F1 67.0(16) . . . . ?
O3 C2 C3 F2 179.5(13) . . . . ?
O3 C2 C3 F3 -69.0(17) . . . . ?
O3 C2 C3 O12 -44(4) . . . . ?
O3 C2 O1 Ag01 -111.6(14) . . . . ?
O3 C2 O1 O12 45(4) . . . . ?
O3 C2 O2 Ag07 68(2) . . . . ?
O3 C2 O2 O12 -54(18) . . . . ?
O2 C2 C3 F1 -54(2) . . . . ?
O2 C2 C3 F2 58.4(17) . . . . ?
O2 C2 C3 F3 169.8(17) . . . . ?
O2 C2 C3 O12 -165(5) . . . . ?
O2 C2 O1 Ag01 26(2) . . . . ?
O2 C2 O1 O12 -178(6) . . . . ?
O2 C2 O3 Ag06 -28(2) . . . . ?
O2 C2 O3 O12 164(6) . . . . ?

_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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2183688'
loop_
_audit_author_name
_audit_author_address
'Sukhendu Mandal'
;IISERTVM
India
;
_audit_update_record             
;
2022-07-04 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C162 H288 Ag40 Cu2 F48 N12 O48 S23'
_chemical_formula_weight         9263.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   15.9453(15)
_cell_length_b                   18.3040(17)
_cell_length_c                   24.394(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.548(2)
_cell_angle_gamma                90
_cell_volume                     6859.2(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    150
_cell_measurement_reflns_used    115684
_cell_measurement_theta_min      2.060
_cell_measurement_theta_max      28.449

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_F_000             4466
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.037
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    3.197
_shelx_estimated_absorpt_T_min   0.883
_shelx_estimated_absorpt_T_max   0.916
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            115684
_diffrn_reflns_av_unetI/netI     0.1141
_diffrn_reflns_av_R_equivalents  0.1553
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.060
_diffrn_reflns_theta_max         28.449
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17208
_reflns_number_gt                8450
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SAINT'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al. , 2008)'
_computing_publication_material  'WINZX (Farrugia, 2014) and PLATON(Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0802P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00113(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         17208
_refine_ls_number_parameters     797
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.0626
_refine_ls_wR_factor_ref         0.1831
_refine_ls_wR_factor_gt          0.1452
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.31819(5) 0.32278(4) 0.58749(3) 0.0411(2) Uani 1 1 d . . . . .
Ag02 Ag 0.32137(5) 0.47172(4) 0.64431(4) 0.0424(2) Uani 1 1 d . . . . .
Ag03 Ag 0.51464(5) 0.50870(4) 0.63831(4) 0.0421(2) Uani 1 1 d . . . . .
Ag04 Ag 0.49844(5) 0.75178(4) 0.60014(3) 0.0433(2) Uani 1 1 d . . . . .
Ag05 Ag 0.30198(5) 0.46393(4) 0.51611(3) 0.0418(2) Uani 1 1 d . . . . .
Ag06 Ag 0.39884(5) 0.63120(4) 0.65114(4) 0.0435(2) Uani 1 1 d . . . . .
Ag07 Ag 0.38770(5) 0.24147(5) 0.48566(4) 0.0449(2) Uani 1 1 d . . . . .
Ag08 Ag 0.37707(5) 0.63986(5) 0.51969(4) 0.0463(2) Uani 1 1 d . . . . .
Ag09 Ag 0.50574(5) 0.34127(5) 0.57472(4) 0.0455(2) Uani 1 1 d . . . . .
Ag0A Ag 0.63642(6) 0.61287(5) 0.58468(4) 0.0503(2) Uani 1 1 d . . . . .
S00B S 0.44978(16) 0.38980(14) 0.65130(10) 0.0344(6) Uani 1 1 d . . . . .
S00C S 0.54825(16) 0.25768(13) 0.50901(11) 0.0339(6) Uani 1 1 d . . . . .
S00D S 0.55701(15) 0.63853(13) 0.65716(11) 0.0338(6) Uani 1 1 d . . . . .
S00E S 0.27737(15) 0.34023(14) 0.47844(11) 0.0358(6) Uani 1 1 d . . . . .
S00F S 0.28569(15) 0.57387(14) 0.56859(11) 0.0366(6) Uani 1 1 d . . . . .
O1 O 0.3335(5) 0.7287(4) 0.6800(3) 0.055(2) Uani 1 1 d . . . . .
F00I F 0.0564(5) 0.3331(5) 0.6816(4) 0.087(3) Uani 1 1 d . . . . .
O00J O 0.3438(5) 0.5499(4) 0.7280(3) 0.054(2) Uani 1 1 d . . . . .
O00K O 0.3264(5) 0.1392(4) 0.4339(4) 0.059(2) Uani 1 1 d . U . . .
O00L O 0.4023(5) 0.1497(4) 0.3697(3) 0.057(2) Uani 1 1 d . U . . .
O00M O 0.1926(5) 0.3122(4) 0.6177(4) 0.058(2) Uani 1 1 d . . . . .
O00N O 0.3805(6) 0.8107(5) 0.6273(4) 0.062(2) Uani 1 1 d . . . . .
F00O F 0.2646(7) 0.9048(5) 0.6418(5) 0.124(4) Uani 1 1 d . . . . .
O00P O 0.1856(5) 0.4277(5) 0.6415(4) 0.066(2) Uani 1 1 d . . . . .
F00Q F 0.2685(6) 0.8525(5) 0.7193(4) 0.107(3) Uani 1 1 d . . . . .
N3 N 0.3211(6) 0.6170(5) 0.8002(4) 0.051(2) Uani 1 1 d . . . . .
F00S F 0.0203(5) 0.3066(6) 0.5948(4) 0.110(3) Uani 1 1 d . . . . .
F00T F 0.0167(5) 0.4180(5) 0.6229(5) 0.106(3) Uani 1 1 d . . . . .
O00U O 0.0805(7) 0.0917(6) 0.5209(5) 0.098(3) Uani 1 1 d . U . . .
O00V O 0.4585(6) 0.1211(5) 0.6649(4) 0.071(3) Uani 1 1 d . . . . .
F00W F 0.1849(5) 0.8137(5) 0.6449(5) 0.122(4) Uani 1 1 d . . . . .
N1 N -0.0312(8) 0.0754(7) 0.5575(6) 0.095(4) Uani 1 1 d . . . . .
C00Z C 0.6083(6) 0.1731(5) 0.5413(4) 0.035(2) Uani 1 1 d . . . . .
C010 C 0.2960(8) 0.5690(6) 0.7602(5) 0.052(3) Uani 1 1 d . . . . .
C011 C 0.2673(9) 0.6446(8) 0.8355(6) 0.078(4) Uani 1 1 d . . . . .
H01A H 0.214672 0.664982 0.811611 0.117 Uiso 1 1 calc R U . . .
H01B H 0.298696 0.681714 0.860575 0.117 Uiso 1 1 calc R U . . .
H01C H 0.253276 0.605298 0.857533 0.117 Uiso 1 1 calc R U . . .
C012 C 0.1553(7) 0.6180(7) 0.6147(5) 0.058(3) Uani 1 1 d . . . . .
H01D H 0.163733 0.571459 0.633571 0.086 Uiso 1 1 calc R U . . .
H01E H 0.096365 0.633827 0.609931 0.086 Uiso 1 1 calc R U . . .
H01F H 0.194498 0.653088 0.637230 0.086 Uiso 1 1 calc R U . . .
F2 F 0.3367(7) 0.0144(5) 0.3360(5) 0.138(4) Uani 1 1 d . U . . .
C014 C 0.1564(7) 0.3656(7) 0.6297(4) 0.045(3) Uani 1 1 d . . . . .
C015 C 0.0609(9) 0.3545(8) 0.6315(6) 0.061(3) Uani 1 1 d . . . . .
C016 C 0.1731(6) 0.6109(6) 0.5567(5) 0.044(3) Uani 1 1 d . . . . .
C017 C 0.3469(7) 0.1235(6) 0.3915(6) 0.053(2) Uani 1 1 d . U . . .
C018 C 0.500000 0.500000 0.500000 0.044(3) Uani 1 2 d S U P . .
C019 C 0.0461(10) 0.0562(9) 0.5522(7) 0.082(4) Uani 1 1 d . U . . .
C01A C 0.4645(8) 0.0543(8) 0.6687(6) 0.064(4) Uani 1 1 d . . . . .
C01B C 0.1680(7) 0.6841(6) 0.5291(5) 0.058(3) Uani 1 1 d . . . . .
H01G H 0.209260 0.716533 0.553144 0.086 Uiso 1 1 calc R U . . .
H01H H 0.110383 0.703545 0.523256 0.086 Uiso 1 1 calc R U . . .
H01I H 0.181196 0.679353 0.493097 0.086 Uiso 1 1 calc R U . . .
C01C C 0.1611(6) 0.3186(7) 0.4394(5) 0.055(3) Uani 1 1 d . U . . .
C01D C 0.4270(10) 0.0058(7) 0.6172(6) 0.074(4) Uani 1 1 d . . . . .
H6 H 0.472321 -0.024404 0.610228 0.111 Uiso 1 1 calc R U . . .
H H 0.402956 0.035731 0.584444 0.111 Uiso 1 1 calc R U . . .
HA H 0.382086 -0.024643 0.624433 0.111 Uiso 1 1 calc R U . . .
F4 F 0.2627(8) 0.0169(6) 0.3861(5) 0.145(4) Uani 1 1 d . U . . .
N2 N 0.4988(8) 0.0200(6) 0.7149(6) 0.075(3) Uani 1 1 d . . . . .
C01G C 0.5524(9) 0.1087(6) 0.5166(5) 0.065(4) Uani 1 1 d . . . . .
H01J H 0.534996 0.112506 0.475832 0.097 Uiso 1 1 calc R U . . .
H01K H 0.501615 0.107957 0.530616 0.097 Uiso 1 1 calc R U . . .
H01L H 0.584838 0.064383 0.527471 0.097 Uiso 1 1 calc R U . . .
C01H C 0.6285(6) 0.6618(6) 0.7292(4) 0.041(3) Uani 1 1 d . . . . .
C01I C 0.3356(7) 0.7877(6) 0.6560(5) 0.046(3) Uani 1 1 d . . . . .
C01J C 0.4875(7) 0.3459(6) 0.7233(4) 0.040(2) Uani 1 1 d . . . . .
C01K C 0.0857(12) -0.0101(9) 0.5844(7) 0.114(7) Uani 1 1 d . . . . .
H4 H 0.090199 -0.003399 0.624125 0.171 Uiso 1 1 calc R U . . .
HB H 0.142667 -0.017873 0.579278 0.171 Uiso 1 1 calc R U . . .
HC H 0.049749 -0.051825 0.570554 0.171 Uiso 1 1 calc R U . . .
C01L C 0.2641(8) 0.8433(8) 0.6635(6) 0.064(4) Uani 1 1 d . . . . .
F01M F 0.8509(6) 0.4036(6) 0.6465(6) 0.140(4) Uani 1 1 d . U . . .
C01N C 0.6950(8) 0.1719(7) 0.5266(6) 0.073(4) Uani 1 1 d . . . . .
H01M H 0.728745 0.131019 0.545005 0.109 Uiso 1 1 calc R U . . .
H01N H 0.725987 0.216366 0.539440 0.109 Uiso 1 1 calc R U . . .
H01O H 0.685015 0.167586 0.486169 0.109 Uiso 1 1 calc R U . . .
C01O C 0.6332(8) 0.5965(7) 0.7670(5) 0.064(4) Uani 1 1 d . . . . .
H01P H 0.577146 0.588004 0.773296 0.097 Uiso 1 1 calc R U . . .
H01Q H 0.675178 0.605324 0.802716 0.097 Uiso 1 1 calc R U . . .
H01R H 0.650340 0.554473 0.749075 0.097 Uiso 1 1 calc R U . . .
C01P C 0.4055(8) 0.6513(8) 0.8089(6) 0.071(4) Uani 1 1 d . . . . .
H01S H 0.446590 0.616128 0.802543 0.106 Uiso 1 1 calc R U . . .
H01T H 0.424772 0.669226 0.847235 0.106 Uiso 1 1 calc R U . . .
H01U H 0.401175 0.691198 0.782791 0.106 Uiso 1 1 calc R U . . .
C01Q C -0.0720(11) 0.1442(8) 0.5269(8) 0.108(6) Uani 1 1 d . . . . .
H5 H -0.058777 0.184894 0.552559 0.161 Uiso 1 1 calc R U . . .
HD H -0.133956 0.138015 0.513867 0.161 Uiso 1 1 calc R U . . .
HE H -0.049041 0.153030 0.494930 0.161 Uiso 1 1 calc R U . . .
C01R C 0.5877(9) 0.7275(7) 0.7516(5) 0.070(4) Uani 1 1 d . . . . .
H01V H 0.584197 0.768094 0.726187 0.106 Uiso 1 1 calc R U . . .
H01W H 0.623136 0.740551 0.788701 0.106 Uiso 1 1 calc R U . . .
H01X H 0.530358 0.714803 0.753923 0.106 Uiso 1 1 calc R U . . .
C01S C 0.2936(10) 0.0637(8) 0.3564(8) 0.077(3) Uani 1 1 d . U . . .
C01T C 0.6238(9) 0.1767(6) 0.6046(5) 0.060(3) Uani 1 1 d . . . . .
H01Y H 0.568983 0.175574 0.613875 0.090 Uiso 1 1 calc R U . . .
HF H 0.653788 0.221253 0.618581 0.090 Uiso 1 1 calc R U . . .
HG H 0.658500 0.135760 0.621835 0.090 Uiso 1 1 calc R U . . .
C01U C 0.7173(7) 0.6834(8) 0.7224(5) 0.066(4) Uani 1 1 d . . . . .
H01Z H 0.743306 0.642164 0.708937 0.099 Uiso 1 1 calc R U . . .
HH H 0.753946 0.698990 0.758414 0.099 Uiso 1 1 calc R U . . .
HI H 0.710606 0.722625 0.695408 0.099 Uiso 1 1 calc R U . . .
C01W C 0.5711(9) 0.3068(8) 0.7255(5) 0.078(5) Uani 1 1 d . . . . .
H01 H 0.612482 0.340789 0.717901 0.117 Uiso 1 1 calc R U . . .
HJ H 0.560294 0.268782 0.697329 0.117 Uiso 1 1 calc R U . . .
HK H 0.593987 0.285800 0.762534 0.117 Uiso 1 1 calc R U . . .
C01X C 0.5027(11) 0.4052(7) 0.7672(5) 0.075(4) Uani 1 1 d . . . . .
H1 H 0.517062 0.383787 0.804446 0.112 Uiso 1 1 calc R U . . .
HL H 0.450889 0.434104 0.761740 0.112 Uiso 1 1 calc R U . . .
HM H 0.549836 0.435645 0.763393 0.112 Uiso 1 1 calc R U . . .
C01Y C 0.4184(8) 0.2928(7) 0.7292(5) 0.071(4) Uani 1 1 d . . . . .
H2 H 0.413381 0.254365 0.701719 0.106 Uiso 1 1 calc R U . . .
HN H 0.363716 0.317769 0.722823 0.106 Uiso 1 1 calc R U . . .
HO H 0.434104 0.272323 0.766815 0.106 Uiso 1 1 calc R U . . .
C01Z C 0.1105(7) 0.5577(6) 0.5199(6) 0.062(4) Uani 1 1 d . . . . .
H3 H 0.125358 0.551125 0.484610 0.093 Uiso 1 1 calc R U . . .
HP H 0.052338 0.576532 0.512461 0.093 Uiso 1 1 calc R U . . .
HQ H 0.113993 0.511677 0.539210 0.093 Uiso 1 1 calc R U . . .
C020 C 0.2064(9) 0.5351(7) 0.7540(6) 0.072(4) Uani 1 1 d . . . . .
H02A H 0.162235 0.567169 0.732334 0.109 Uiso 1 1 calc R U . . .
H02B H 0.197587 0.527692 0.791034 0.109 Uiso 1 1 calc R U . . .
H02C H 0.203122 0.488947 0.734797 0.109 Uiso 1 1 calc R U . . .
C021 C -0.0842(12) 0.0342(11) 0.5863(7) 0.113(6) Uani 1 1 d . . . . .
H02G H -0.137492 0.020060 0.559332 0.169 Uiso 1 1 calc R U . . .
H02H H -0.097109 0.063886 0.615415 0.169 Uiso 1 1 calc R U . . .
H02I H -0.053166 -0.008697 0.603165 0.169 Uiso 1 1 calc R U . . .
C022 C 0.5396(10) 0.0658(9) 0.7655(6) 0.088(5) Uani 1 1 d . . . . .
H02J H 0.548178 0.114508 0.753445 0.132 Uiso 1 1 calc R U . . .
H02K H 0.594784 0.045187 0.785338 0.132 Uiso 1 1 calc R U . . .
H02L H 0.502201 0.067244 0.790489 0.132 Uiso 1 1 calc R U . . .
C023 C 0.5047(11) -0.0585(7) 0.7223(6) 0.081(4) Uani 1 1 d . . . . .
H02M H 0.461089 -0.074763 0.740049 0.121 Uiso 1 1 calc R U . . .
H02N H 0.561327 -0.071169 0.745857 0.121 Uiso 1 1 calc R U . . .
H02O H 0.495565 -0.081608 0.685822 0.121 Uiso 1 1 calc R U . . .
F024 F 0.7736(8) 0.3742(7) 0.6942(5) 0.156(5) Uani 1 1 d . U . . .
F3 F 0.2344(8) 0.0814(6) 0.3179(6) 0.183(5) Uani 1 1 d . U . . .
F026 F 0.7549(8) 0.3327(6) 0.6152(7) 0.190(6) Uani 1 1 d . U . . .
C028 C 0.7127(10) 0.4509(8) 0.6199(7) 0.088(4) Uani 1 1 d . U . . .
O029 O 0.5358(11) 0.5532(9) 0.4909(7) 0.067(4) Uani 0.5 1 d . U P . .
C02B C 0.1251(10) 0.2736(11) 0.4779(7) 0.136(6) Uani 1 1 d . U . . .
H02D H 0.086988 0.237196 0.456229 0.204 Uiso 1 1 calc R U . . .
H02E H 0.093046 0.304261 0.497079 0.204 Uiso 1 1 calc R U . . .
H02F H 0.171778 0.250246 0.505480 0.204 Uiso 1 1 calc R U . . .
C1 C 0.1598(9) 0.2857(10) 0.3871(7) 0.107(5) Uani 1 1 d . U . . .
H1A H 0.180133 0.236290 0.393564 0.160 Uiso 1 1 calc R U . . .
H1B H 0.197071 0.312537 0.369273 0.160 Uiso 1 1 calc R U . . .
H1C H 0.101458 0.285977 0.362887 0.160 Uiso 1 1 calc R U . . .
C2 C 0.1155(10) 0.3891(10) 0.4269(9) 0.146(7) Uani 1 1 d . U . . .
H2A H 0.123906 0.416606 0.461470 0.218 Uiso 1 1 calc R U . . .
H2B H 0.054413 0.380557 0.410783 0.218 Uiso 1 1 calc R U . . .
H2C H 0.138323 0.416001 0.400377 0.218 Uiso 1 1 calc R U . . .
S50 S 0.3515(5) 0.1924(4) 0.5781(3) 0.122(2) Uani 0.75 1 d . . P . .
O50 O 0.4811(11) 0.5370(9) 0.5331(6) 0.063(4) Uani 0.5 1 d . U P . .
Cu1 Cu 0.2461(8) 0.0848(6) 0.5193(5) 0.273(5) Uani 0.5 1 d . . P . .
C3 C 0.7730(9) 0.3928(8) 0.6431(6) 0.066(4) Uani 1 1 d . . . . .
O2 O 0.6508(11) 0.4393(8) 0.5908(8) 0.191(6) Uani 1 1 d . U . . .
O3 O 0.7280(9) 0.5107(6) 0.6333(6) 0.137(4) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 O00M 2.320(8) . ?
Ag01 S50 2.469(8) . ?
Ag01 S00B 2.565(3) . ?
Ag01 S00E 2.583(3) . ?
Ag01 Ag02 3.0526(12) . ?
Ag01 Ag05 3.0874(12) . ?
Ag01 Ag09 3.1071(12) . ?
Ag01 Ag07 3.3300(12) . ?
Ag02 O00P 2.294(8) . ?
Ag02 O00J 2.440(7) . ?
Ag02 S00B 2.506(3) . ?
Ag02 S00F 2.582(3) . ?
Ag02 Ag05 3.0623(12) . ?
Ag02 Ag06 3.1565(12) . ?
Ag02 Ag03 3.1966(11) . ?
Ag03 S00B 2.466(3) . ?
Ag03 S00D 2.480(3) . ?
Ag03 O50 2.531(15) . ?
Ag03 Ag06 2.9740(12) . ?
Ag03 Ag0A 3.2372(12) . ?
Ag04 O00L 2.382(7) 3_666 ?
Ag04 O00N 2.410(8) . ?
Ag04 S00D 2.531(3) . ?
Ag04 S00C 2.571(3) 3_666 ?
Ag04 Ag07 3.1192(12) 3_666 ?
Ag04 Ag08 3.1236(12) . ?
Ag04 Ag06 3.1624(12) . ?
Ag05 S00E 2.435(3) . ?
Ag05 S00F 2.436(3) . ?
Ag05 Ag0A 3.2063(12) 3_666 ?
Ag06 O1 2.272(7) . ?
Ag06 S00D 2.490(2) . ?
Ag06 S00F 2.542(3) . ?
Ag06 Ag08 3.1356(13) . ?
Ag07 O00K 2.322(8) . ?
Ag07 S00C 2.487(3) . ?
Ag07 S00E 2.496(3) . ?
Ag07 S50 2.631(7) . ?
Ag07 Ag09 3.0670(12) . ?
Ag07 Ag0A 3.1379(13) 3_666 ?
Ag08 S00C 2.423(3) 3_666 ?
Ag08 S00F 2.437(3) . ?
Ag08 O50 2.472(14) . ?
Ag08 Ag09 3.3500(12) 3_666 ?
Ag09 S00C 2.440(3) . ?
Ag09 S00B 2.443(3) . ?
Ag09 O029 2.482(13) 3_666 ?
Ag0A O3 2.472(11) . ?
Ag0A S00E 2.476(3) 3_666 ?
Ag0A S00D 2.480(3) . ?
S00B C01J 1.878(10) . ?
S00C C00Z 1.879(9) . ?
S00D C01H 1.869(10) . ?
S00E C01C 1.885(10) . ?
S00F C016 1.868(10) . ?
O1 C01I 1.235(13) . ?
F00I C015 1.303(15) . ?
O00J C010 1.282(13) . ?
O00K C017 1.201(14) . ?
O00L C017 1.241(13) . ?
O00M C014 1.209(13) . ?
O00N C01I 1.202(13) . ?
F00O C01L 1.244(16) . ?
O00P C014 1.232(13) . ?
F00Q C01L 1.357(15) . ?
N3 C010 1.294(14) . ?
N3 C01P 1.448(15) . ?
N3 C011 1.458(15) . ?
F00S C015 1.296(14) . ?
F00T C015 1.346(15) . ?
O00U C019 1.236(17) . ?
O00V C01A 1.229(15) . ?
F00W C01L 1.337(14) . ?
N1 C019 1.320(18) . ?
N1 C021 1.447(18) . ?
N1 C01Q 1.518(19) . ?
C00Z C01T 1.498(15) . ?
C00Z C01G 1.504(15) . ?
C00Z C01N 1.518(15) . ?
C010 C020 1.528(17) . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 C016 1.521(16) . ?
C012 H01D 0.9600 . ?
C012 H01E 0.9600 . ?
C012 H01F 0.9600 . ?
F2 C01S 1.311(17) . ?
C014 C015 1.550(16) . ?
C016 C01B 1.492(15) . ?
C016 C01Z 1.507(15) . ?
C017 C01S 1.505(16) . ?
C018 O50 1.154(15) 3_666 ?
C018 O50 1.154(15) . ?
C018 O029 1.180(16) . ?
C018 O029 1.180(16) 3_666 ?
C019 C01K 1.49(2) . ?
C01A N2 1.278(17) . ?
C01A C01D 1.523(18) . ?
C01B H01G 0.9600 . ?
C01B H01H 0.9600 . ?
C01B H01I 0.9600 . ?
C01C C1 1.404(18) . ?
C01C C2 1.47(2) . ?
C01C C02B 1.476(18) . ?
C01D H6 0.9600 . ?
C01D H 0.9600 . ?
C01D HA 0.9600 . ?
F4 C01S 1.301(18) . ?
N2 C023 1.449(16) . ?
N2 C022 1.490(17) . ?
C01G H01J 0.9600 . ?
C01G H01K 0.9600 . ?
C01G H01L 0.9600 . ?
C01H C01O 1.499(16) . ?
C01H C01U 1.521(14) . ?
C01H C01R 1.535(16) . ?
C01I C01L 1.574(17) . ?
C01J C01X 1.496(15) . ?
C01J C01W 1.501(15) . ?
C01J C01Y 1.505(15) . ?
C01K H4 0.9600 . ?
C01K HB 0.9600 . ?
C01K HC 0.9600 . ?
F01M C3 1.238(16) . ?
C01N H01M 0.9600 . ?
C01N H01N 0.9600 . ?
C01N H01O 0.9600 . ?
C01O H01P 0.9600 . ?
C01O H01Q 0.9600 . ?
C01O H01R 0.9600 . ?
C01P H01S 0.9600 . ?
C01P H01T 0.9600 . ?
C01P H01U 0.9600 . ?
C01Q H5 0.9600 . ?
C01Q HD 0.9600 . ?
C01Q HE 0.9600 . ?
C01R H01V 0.9600 . ?
C01R H01W 0.9600 . ?
C01R H01X 0.9600 . ?
C01S F3 1.184(17) . ?
C01T H01Y 0.9600 . ?
C01T HF 0.9600 . ?
C01T HG 0.9600 . ?
C01U H01Z 0.9600 . ?
C01U HH 0.9600 . ?
C01U HI 0.9600 . ?
C01W H01 0.9600 . ?
C01W HJ 0.9600 . ?
C01W HK 0.9600 . ?
C01X H1 0.9600 . ?
C01X HL 0.9600 . ?
C01X HM 0.9600 . ?
C01Y H2 0.9600 . ?
C01Y HN 0.9600 . ?
C01Y HO 0.9600 . ?
C01Z H3 0.9600 . ?
C01Z HP 0.9600 . ?
C01Z HQ 0.9600 . ?
C020 H02A 0.9600 . ?
C020 H02B 0.9600 . ?
C020 H02C 0.9600 . ?
C021 H02G 0.9600 . ?
C021 H02H 0.9600 . ?
C021 H02I 0.9600 . ?
C022 H02J 0.9600 . ?
C022 H02K 0.9600 . ?
C022 H02L 0.9600 . ?
C023 H02M 0.9600 . ?
C023 H02N 0.9600 . ?
C023 H02O 0.9600 . ?
F024 C3 1.290(17) . ?
F026 C3 1.285(16) . ?
C028 O2 1.071(17) . ?
C028 O3 1.149(16) . ?
C028 C3 1.444(19) . ?
O029 O50 1.55(2) . ?
O029 O50 1.75(2) 3_666 ?
C02B H02D 0.9600 . ?
C02B H02E 0.9600 . ?
C02B H02F 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
S50 Cu1 2.734(14) . ?

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
O00M Ag01 S50 100.0(3) . . ?
O00M Ag01 S00B 118.8(2) . . ?
S50 Ag01 S00B 110.9(2) . . ?
O00M Ag01 S00E 109.7(2) . . ?
S50 Ag01 S00E 91.45(19) . . ?
S00B Ag01 S00E 120.34(8) . . ?
O00M Ag01 Ag02 80.8(2) . . ?
S50 Ag01 Ag02 158.06(19) . . ?
S00B Ag01 Ag02 52.12(6) . . ?
S00E Ag01 Ag02 109.03(7) . . ?
O00M Ag01 Ag05 107.5(2) . . ?
S50 Ag01 Ag05 138.09(18) . . ?
S00B Ag01 Ag05 82.72(6) . . ?
S00E Ag01 Ag05 49.90(6) . . ?
Ag02 Ag01 Ag05 59.83(3) . . ?
O00M Ag01 Ag09 167.6(2) . . ?
S50 Ag01 Ag09 81.91(18) . . ?
S00B Ag01 Ag09 49.91(6) . . ?
S00E Ag01 Ag09 82.35(6) . . ?
Ag02 Ag01 Ag09 92.81(3) . . ?
Ag05 Ag01 Ag09 77.86(3) . . ?
O00M Ag01 Ag07 133.5(2) . . ?
S50 Ag01 Ag07 51.39(17) . . ?
S00B Ag01 Ag07 106.55(6) . . ?
S00E Ag01 Ag07 47.90(6) . . ?
Ag02 Ag01 Ag07 140.31(3) . . ?
Ag05 Ag01 Ag07 87.00(3) . . ?
Ag09 Ag01 Ag07 56.78(2) . . ?
O00P Ag02 O00J 99.0(3) . . ?
O00P Ag02 S00B 122.6(2) . . ?
O00J Ag02 S00B 111.1(2) . . ?
O00P Ag02 S00F 102.0(2) . . ?
O00J Ag02 S00F 97.41(19) . . ?
S00B Ag02 S00F 120.08(8) . . ?
O00P Ag02 Ag01 76.8(2) . . ?
O00J Ag02 Ag01 152.19(19) . . ?
S00B Ag02 Ag01 53.88(6) . . ?
S00F Ag02 Ag01 110.38(7) . . ?
O00P Ag02 Ag05 96.7(2) . . ?
O00J Ag02 Ag05 146.52(19) . . ?
S00B Ag02 Ag05 84.19(6) . . ?
S00F Ag02 Ag05 50.26(6) . . ?
Ag01 Ag02 Ag05 60.65(3) . . ?
O00P Ag02 Ag06 132.8(2) . . ?
O00J Ag02 Ag06 56.36(19) . . ?
S00B Ag02 Ag06 104.40(6) . . ?
S00F Ag02 Ag06 51.41(6) . . ?
Ag01 Ag02 Ag06 143.95(4) . . ?
Ag05 Ag02 Ag06 91.60(3) . . ?
O00P Ag02 Ag03 170.7(2) . . ?
O00J Ag02 Ag03 89.27(19) . . ?
S00B Ag02 Ag03 49.45(6) . . ?
S00F Ag02 Ag03 81.04(6) . . ?
Ag01 Ag02 Ag03 93.85(3) . . ?
Ag05 Ag02 Ag03 78.33(3) . . ?
Ag06 Ag02 Ag03 55.82(2) . . ?
S00B Ag03 S00D 157.61(9) . . ?
S00B Ag03 O50 109.2(4) . . ?
S00D Ag03 O50 88.0(4) . . ?
S00B Ag03 Ag06 110.98(7) . . ?
S00D Ag03 Ag06 53.41(6) . . ?
O50 Ag03 Ag06 89.1(3) . . ?
S00B Ag03 Ag02 50.55(6) . . ?
S00D Ag03 Ag02 114.36(6) . . ?
O50 Ag03 Ag02 98.4(4) . . ?
Ag06 Ag03 Ag02 61.41(3) . . ?
S00B Ag03 Ag0A 152.80(7) . . ?
S00D Ag03 Ag0A 49.26(6) . . ?
O50 Ag03 Ag0A 57.1(4) . . ?
Ag06 Ag03 Ag0A 93.16(3) . . ?
Ag02 Ag03 Ag0A 146.44(4) . . ?
O00L Ag04 O00N 94.6(3) 3_666 . ?
O00L Ag04 S00D 109.5(2) 3_666 . ?
O00N Ag04 S00D 114.5(2) . . ?
O00L Ag04 S00C 110.8(2) 3_666 3_666 ?
O00N Ag04 S00C 106.5(2) . 3_666 ?
S00D Ag04 S00C 118.40(8) . 3_666 ?
O00L Ag04 Ag07 73.67(19) 3_666 3_666 ?
O00N Ag04 Ag07 143.6(2) . 3_666 ?
S00D Ag04 Ag07 101.88(6) . 3_666 ?
S00C Ag04 Ag07 50.71(6) 3_666 3_666 ?
O00L Ag04 Ag08 159.86(19) 3_666 . ?
O00N Ag04 Ag08 93.9(2) . . ?
S00D Ag04 Ag08 83.31(6) . . ?
S00C Ag04 Ag08 49.20(6) 3_666 . ?
Ag07 Ag04 Ag08 88.76(3) 3_666 . ?
O00L Ag04 Ag06 140.29(19) 3_666 . ?
O00N Ag04 Ag06 72.1(2) . . ?
S00D Ag04 Ag06 50.39(6) . . ?
S00C Ag04 Ag06 108.90(6) 3_666 . ?
Ag07 Ag04 Ag06 137.36(4) 3_666 . ?
Ag08 Ag04 Ag06 59.84(3) . . ?
S00E Ag05 S00F 159.58(9) . . ?
S00E Ag05 Ag02 112.99(7) . . ?
S00F Ag05 Ag02 54.59(7) . . ?
S00E Ag05 Ag01 54.23(6) . . ?
S00F Ag05 Ag01 113.54(7) . . ?
Ag02 Ag05 Ag01 59.52(3) . . ?
S00E Ag05 Ag0A 49.81(6) . 3_666 ?
S00F Ag05 Ag0A 149.65(7) . 3_666 ?
Ag02 Ag05 Ag0A 146.68(4) . 3_666 ?
Ag01 Ag05 Ag0A 93.96(3) . 3_666 ?
O1 Ag06 S00D 118.8(2) . . ?
O1 Ag06 S00F 106.4(2) . . ?
S00D Ag06 S00F 124.15(9) . . ?
O1 Ag06 Ag03 167.0(2) . . ?
S00D Ag06 Ag03 53.08(6) . . ?
S00F Ag06 Ag03 86.23(6) . . ?
O1 Ag06 Ag08 110.1(2) . . ?
S00D Ag06 Ag08 83.70(6) . . ?
S00F Ag06 Ag08 49.48(6) . . ?
Ag03 Ag06 Ag08 80.34(3) . . ?
O1 Ag06 Ag02 122.5(2) . . ?
S00D Ag06 Ag02 115.39(6) . . ?
S00F Ag06 Ag02 52.55(6) . . ?
Ag03 Ag06 Ag02 62.77(3) . . ?
Ag08 Ag06 Ag02 93.34(3) . . ?
O1 Ag06 Ag04 84.0(2) . . ?
S00D Ag06 Ag04 51.55(6) . . ?
S00F Ag06 Ag04 107.52(7) . . ?
Ag03 Ag06 Ag04 95.35(3) . . ?
Ag08 Ag06 Ag04 59.47(3) . . ?
Ag02 Ag06 Ag04 148.79(4) . . ?
O00K Ag07 S00C 118.5(2) . . ?
O00K Ag07 S00E 111.1(2) . . ?
S00C Ag07 S00E 126.35(9) . . ?
O00K Ag07 S50 92.0(3) . . ?
S00C Ag07 S50 107.06(19) . . ?
S00E Ag07 S50 89.73(18) . . ?
O00K Ag07 Ag09 162.6(2) . . ?
S00C Ag07 Ag09 50.81(6) . . ?
S00E Ag07 Ag09 84.59(6) . . ?
S50 Ag07 Ag09 80.23(18) . . ?
O00K Ag07 Ag04 84.4(2) . 3_666 ?
S00C Ag07 Ag04 53.16(6) . 3_666 ?
S00E Ag07 Ag04 116.75(7) . 3_666 ?
S50 Ag07 Ag04 152.81(18) . 3_666 ?
Ag09 Ag07 Ag04 95.43(3) . 3_666 ?
O00K Ag07 Ag0A 114.5(2) . 3_666 ?
S00C Ag07 Ag0A 89.52(6) . 3_666 ?
S00E Ag07 Ag0A 50.60(6) . 3_666 ?
S50 Ag07 Ag0A 137.38(17) . 3_666 ?
Ag09 Ag07 Ag0A 80.98(3) . 3_666 ?
Ag04 Ag07 Ag0A 66.89(3) 3_666 3_666 ?
O00K Ag07 Ag01 126.2(2) . . ?
S00C Ag07 Ag01 107.69(7) . . ?
S00E Ag07 Ag01 50.18(6) . . ?
S50 Ag07 Ag01 47.15(17) . . ?
Ag09 Ag07 Ag01 57.94(3) . . ?
Ag04 Ag07 Ag01 148.52(3) 3_666 . ?
Ag0A Ag07 Ag01 90.67(3) 3_666 . ?
S00C Ag08 S00F 158.40(9) 3_666 . ?
S00C Ag08 O50 105.3(5) 3_666 . ?
S00F Ag08 O50 91.5(5) . . ?
S00C Ag08 Ag04 53.44(6) 3_666 . ?
S00F Ag08 Ag04 111.63(7) . . ?
O50 Ag08 Ag04 97.8(4) . . ?
S00C Ag08 Ag06 113.98(7) 3_666 . ?
S00F Ag08 Ag06 52.48(7) . . ?
O50 Ag08 Ag06 86.5(4) . . ?
Ag04 Ag08 Ag06 60.70(3) . . ?
S00C Ag08 Ag09 46.66(6) 3_666 3_666 ?
S00F Ag08 Ag09 154.78(7) . 3_666 ?
O50 Ag08 Ag09 72.0(4) . 3_666 ?
Ag04 Ag08 Ag09 89.91(3) . 3_666 ?
Ag06 Ag08 Ag09 141.17(3) . 3_666 ?
S00C Ag09 S00B 162.39(9) . . ?
S00C Ag09 O029 97.9(5) . 3_666 ?
S00B Ag09 O029 97.0(5) . 3_666 ?
S00C Ag09 Ag07 52.19(6) . . ?
S00B Ag09 Ag07 118.53(7) . . ?
O029 Ag09 Ag07 90.0(4) 3_666 . ?
S00C Ag09 Ag01 116.23(7) . . ?
S00B Ag09 Ag01 53.44(6) . . ?
O029 Ag09 Ag01 93.0(4) 3_666 . ?
Ag07 Ag09 Ag01 65.28(3) . . ?
S00C Ag09 Ag08 46.26(6) . 3_666 ?
S00B Ag09 Ag08 150.88(7) . 3_666 ?
O029 Ag09 Ag08 65.0(5) 3_666 3_666 ?
Ag07 Ag09 Ag08 85.64(3) . 3_666 ?
Ag01 Ag09 Ag08 144.04(4) . 3_666 ?
O3 Ag0A S00E 101.9(4) . 3_666 ?
O3 Ag0A S00D 98.6(4) . . ?
S00E Ag0A S00D 148.46(9) 3_666 . ?
O3 Ag0A Ag07 151.1(4) . 3_666 ?
S00E Ag0A Ag07 51.14(6) 3_666 3_666 ?
S00D Ag0A Ag07 102.58(7) . 3_666 ?
O3 Ag0A Ag05 76.9(4) . 3_666 ?
S00E Ag0A Ag05 48.69(6) 3_666 3_666 ?
S00D Ag0A Ag05 161.74(7) . 3_666 ?
Ag07 Ag0A Ag05 88.34(3) 3_666 3_666 ?
O3 Ag0A Ag03 72.6(4) . . ?
S00E Ag0A Ag03 161.54(7) 3_666 . ?
S00D Ag0A Ag03 49.25(6) . . ?
Ag07 Ag0A Ag03 136.27(4) 3_666 . ?
Ag05 Ag0A Ag03 113.07(4) 3_666 . ?
C01J S00B Ag09 117.9(4) . . ?
C01J S00B Ag03 117.2(3) . . ?
Ag09 S00B Ag03 88.33(9) . . ?
C01J S00B Ag02 111.8(3) . . ?
Ag09 S00B Ag02 128.65(11) . . ?
Ag03 S00B Ag02 80.00(8) . . ?
C01J S00B Ag01 111.6(3) . . ?
Ag09 S00B Ag01 76.65(7) . . ?
Ag03 S00B Ag01 130.32(10) . . ?
Ag02 S00B Ag01 74.00(7) . . ?
C00Z S00C Ag08 121.6(3) . 3_666 ?
C00Z S00C Ag09 116.2(3) . . ?
Ag08 S00C Ag09 87.08(8) 3_666 . ?
C00Z S00C Ag07 112.0(3) . . ?
Ag08 S00C Ag07 125.56(10) 3_666 . ?
Ag09 S00C Ag07 77.00(7) . . ?
C00Z S00C Ag04 110.6(3) . 3_666 ?
Ag08 S00C Ag04 77.36(8) 3_666 3_666 ?
Ag09 S00C Ag04 131.93(10) . 3_666 ?
Ag07 S00C Ag04 76.13(7) . 3_666 ?
C01H S00D Ag03 117.4(4) . . ?
C01H S00D Ag0A 114.5(3) . . ?
Ag03 S00D Ag0A 81.49(8) . . ?
C01H S00D Ag06 114.9(3) . . ?
Ag03 S00D Ag06 73.51(7) . . ?
Ag0A S00D Ag06 130.56(10) . . ?
C01H S00D Ag04 111.8(4) . . ?
Ag03 S00D Ag04 129.85(10) . . ?
Ag0A S00D Ag04 86.96(8) . . ?
Ag06 S00D Ag04 78.06(7) . . ?
C01C S00E Ag05 115.0(4) . . ?
C01C S00E Ag0A 113.2(4) . 3_666 ?
Ag05 S00E Ag0A 81.50(8) . 3_666 ?
C01C S00E Ag07 117.6(4) . . ?
Ag05 S00E Ag07 127.41(10) . . ?
Ag0A S00E Ag07 78.26(8) 3_666 . ?
C01C S00E Ag01 115.9(4) . . ?
Ag05 S00E Ag01 75.87(8) . . ?
Ag0A S00E Ag01 130.88(10) 3_666 . ?
Ag07 S00E Ag01 81.92(8) . . ?
C016 S00F Ag05 116.9(4) . . ?
C016 S00F Ag08 114.8(4) . . ?
Ag05 S00F Ag08 89.44(9) . . ?
C016 S00F Ag06 114.9(4) . . ?
Ag05 S00F Ag06 127.17(10) . . ?
Ag08 S00F Ag06 78.03(7) . . ?
C016 S00F Ag02 113.1(4) . . ?
Ag05 S00F Ag02 75.15(8) . . ?
Ag08 S00F Ag02 131.54(10) . . ?
Ag06 S00F Ag02 76.04(8) . . ?
C01I O1 Ag06 117.8(7) . . ?
C010 O00J Ag02 134.0(8) . . ?
C017 O00K Ag07 119.3(7) . . ?
C017 O00L Ag04 130.6(8) . 3_666 ?
C014 O00M Ag01 121.2(7) . . ?
C01I O00N Ag04 129.3(8) . . ?
C014 O00P Ag02 128.7(7) . . ?
C010 N3 C01P 119.5(10) . . ?
C010 N3 C011 124.6(11) . . ?
C01P N3 C011 115.7(10) . . ?
C019 N1 C021 126.2(16) . . ?
C019 N1 C01Q 117.4(14) . . ?
C021 N1 C01Q 116.2(14) . . ?
C01T C00Z C01G 111.4(10) . . ?
C01T C00Z C01N 109.5(10) . . ?
C01G C00Z C01N 111.9(10) . . ?
C01T C00Z S00C 108.7(7) . . ?
C01G C00Z S00C 107.3(7) . . ?
C01N C00Z S00C 107.9(7) . . ?
O00J C010 N3 122.2(11) . . ?
O00J C010 C020 121.5(11) . . ?
N3 C010 C020 116.3(11) . . ?
N3 C011 H01A 109.5 . . ?
N3 C011 H01B 109.5 . . ?
H01A C011 H01B 109.5 . . ?
N3 C011 H01C 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C016 C012 H01D 109.5 . . ?
C016 C012 H01E 109.5 . . ?
H01D C012 H01E 109.5 . . ?
C016 C012 H01F 109.5 . . ?
H01D C012 H01F 109.5 . . ?
H01E C012 H01F 109.5 . . ?
O00M C014 O00P 128.8(11) . . ?
O00M C014 C015 115.9(11) . . ?
O00P C014 C015 115.3(11) . . ?
F00S C015 F00I 107.7(11) . . ?
F00S C015 F00T 109.4(12) . . ?
F00I C015 F00T 104.4(12) . . ?
F00S C015 C014 112.4(11) . . ?
F00I C015 C014 111.5(11) . . ?
F00T C015 C014 111.1(10) . . ?
C01B C016 C01Z 111.3(10) . . ?
C01B C016 C012 110.1(10) . . ?
C01Z C016 C012 110.5(9) . . ?
C01B C016 S00F 109.2(7) . . ?
C01Z C016 S00F 108.2(7) . . ?
C012 C016 S00F 107.4(8) . . ?
O00K C017 O00L 131.7(11) . . ?
O00K C017 C01S 114.9(11) . . ?
O00L C017 C01S 113.4(12) . . ?
O50 C018 O50 180.0 3_666 . ?
O50 C018 O029 97.1(13) 3_666 . ?
O50 C018 O029 82.9(13) . . ?
O50 C018 O029 82.9(13) 3_666 3_666 ?
O50 C018 O029 97.1(13) . 3_666 ?
O029 C018 O029 180.0 . 3_666 ?
O00U C019 N1 120.1(16) . . ?
O00U C019 C01K 123.8(15) . . ?
N1 C019 C01K 116.1(16) . . ?
O00V C01A N2 124.1(14) . . ?
O00V C01A C01D 120.9(13) . . ?
N2 C01A C01D 115.0(13) . . ?
C016 C01B H01G 109.5 . . ?
C016 C01B H01H 109.5 . . ?
H01G C01B H01H 109.5 . . ?
C016 C01B H01I 109.5 . . ?
H01G C01B H01I 109.5 . . ?
H01H C01B H01I 109.5 . . ?
C1 C01C C2 107.5(14) . . ?
C1 C01C C02B 115.2(14) . . ?
C2 C01C C02B 111.4(15) . . ?
C1 C01C S00E 108.8(9) . . ?
C2 C01C S00E 106.6(9) . . ?
C02B C01C S00E 107.1(9) . . ?
C01A C01D H6 109.5 . . ?
C01A C01D H 109.5 . . ?
H6 C01D H 109.5 . . ?
C01A C01D HA 109.5 . . ?
H6 C01D HA 109.5 . . ?
H C01D HA 109.5 . . ?
C01A N2 C023 126.5(14) . . ?
C01A N2 C022 116.4(13) . . ?
C023 N2 C022 117.1(13) . . ?
C00Z C01G H01J 109.5 . . ?
C00Z C01G H01K 109.5 . . ?
H01J C01G H01K 109.5 . . ?
C00Z C01G H01L 109.5 . . ?
H01J C01G H01L 109.5 . . ?
H01K C01G H01L 109.5 . . ?
C01O C01H C01U 112.3(10) . . ?
C01O C01H C01R 111.2(10) . . ?
C01U C01H C01R 109.3(10) . . ?
C01O C01H S00D 108.3(8) . . ?
C01U C01H S00D 107.9(7) . . ?
C01R C01H S00D 107.7(8) . . ?
O00N C01I O1 132.8(11) . . ?
O00N C01I C01L 113.8(11) . . ?
O1 C01I C01L 113.4(11) . . ?
C01X C01J C01W 110.4(10) . . ?
C01X C01J C01Y 112.5(11) . . ?
C01W C01J C01Y 110.7(11) . . ?
C01X C01J S00B 108.0(8) . . ?
C01W C01J S00B 107.2(7) . . ?
C01Y C01J S00B 107.8(7) . . ?
C019 C01K H4 109.5 . . ?
C019 C01K HB 109.5 . . ?
H4 C01K HB 109.5 . . ?
C019 C01K HC 109.5 . . ?
H4 C01K HC 109.5 . . ?
HB C01K HC 109.5 . . ?
F00O C01L F00W 109.6(13) . . ?
F00O C01L F00Q 108.1(12) . . ?
F00W C01L F00Q 100.4(12) . . ?
F00O C01L C01I 116.6(12) . . ?
F00W C01L C01I 110.3(11) . . ?
F00Q C01L C01I 110.6(11) . . ?
C00Z C01N H01M 109.5 . . ?
C00Z C01N H01N 109.5 . . ?
H01M C01N H01N 109.5 . . ?
C00Z C01N H01O 109.5 . . ?
H01M C01N H01O 109.5 . . ?
H01N C01N H01O 109.5 . . ?
C01H C01O H01P 109.5 . . ?
C01H C01O H01Q 109.5 . . ?
H01P C01O H01Q 109.5 . . ?
C01H C01O H01R 109.5 . . ?
H01P C01O H01R 109.5 . . ?
H01Q C01O H01R 109.5 . . ?
N3 C01P H01S 109.5 . . ?
N3 C01P H01T 109.5 . . ?
H01S C01P H01T 109.5 . . ?
N3 C01P H01U 109.5 . . ?
H01S C01P H01U 109.5 . . ?
H01T C01P H01U 109.5 . . ?
N1 C01Q H5 109.5 . . ?
N1 C01Q HD 109.5 . . ?
H5 C01Q HD 109.5 . . ?
N1 C01Q HE 109.5 . . ?
H5 C01Q HE 109.5 . . ?
HD C01Q HE 109.5 . . ?
C01H C01R H01V 109.5 . . ?
C01H C01R H01W 109.5 . . ?
H01V C01R H01W 109.5 . . ?
C01H C01R H01X 109.5 . . ?
H01V C01R H01X 109.5 . . ?
H01W C01R H01X 109.5 . . ?
F3 C01S F4 106.3(14) . . ?
F3 C01S F2 106.0(16) . . ?
F4 C01S F2 94.3(12) . . ?
F3 C01S C017 117.4(14) . . ?
F4 C01S C017 113.8(14) . . ?
F2 C01S C017 116.3(12) . . ?
C00Z C01T H01Y 109.5 . . ?
C00Z C01T HF 109.5 . . ?
H01Y C01T HF 109.5 . . ?
C00Z C01T HG 109.5 . . ?
H01Y C01T HG 109.5 . . ?
HF C01T HG 109.5 . . ?
C01H C01U H01Z 109.5 . . ?
C01H C01U HH 109.5 . . ?
H01Z C01U HH 109.5 . . ?
C01H C01U HI 109.5 . . ?
H01Z C01U HI 109.5 . . ?
HH C01U HI 109.5 . . ?
C01J C01W H01 109.5 . . ?
C01J C01W HJ 109.5 . . ?
H01 C01W HJ 109.5 . . ?
C01J C01W HK 109.5 . . ?
H01 C01W HK 109.5 . . ?
HJ C01W HK 109.5 . . ?
C01J C01X H1 109.5 . . ?
C01J C01X HL 109.5 . . ?
H1 C01X HL 109.5 . . ?
C01J C01X HM 109.5 . . ?
H1 C01X HM 109.5 . . ?
HL C01X HM 109.5 . . ?
C01J C01Y H2 109.5 . . ?
C01J C01Y HN 109.5 . . ?
H2 C01Y HN 109.5 . . ?
C01J C01Y HO 109.5 . . ?
H2 C01Y HO 109.5 . . ?
HN C01Y HO 109.5 . . ?
C016 C01Z H3 109.5 . . ?
C016 C01Z HP 109.5 . . ?
H3 C01Z HP 109.5 . . ?
C016 C01Z HQ 109.5 . . ?
H3 C01Z HQ 109.5 . . ?
HP C01Z HQ 109.5 . . ?
C010 C020 H02A 109.5 . . ?
C010 C020 H02B 109.5 . . ?
H02A C020 H02B 109.5 . . ?
C010 C020 H02C 109.5 . . ?
H02A C020 H02C 109.5 . . ?
H02B C020 H02C 109.5 . . ?
N1 C021 H02G 109.5 . . ?
N1 C021 H02H 109.5 . . ?
H02G C021 H02H 109.5 . . ?
N1 C021 H02I 109.5 . . ?
H02G C021 H02I 109.5 . . ?
H02H C021 H02I 109.5 . . ?
N2 C022 H02J 109.5 . . ?
N2 C022 H02K 109.5 . . ?
H02J C022 H02K 109.5 . . ?
N2 C022 H02L 109.5 . . ?
H02J C022 H02L 109.5 . . ?
H02K C022 H02L 109.5 . . ?
N2 C023 H02M 109.5 . . ?
N2 C023 H02N 109.5 . . ?
H02M C023 H02N 109.5 . . ?
N2 C023 H02O 109.5 . . ?
H02M C023 H02O 109.5 . . ?
H02N C023 H02O 109.5 . . ?
O2 C028 O3 117.7(17) . . ?
O2 C028 C3 120.8(15) . . ?
O3 C028 C3 121.4(14) . . ?
C018 O029 O50 47.8(9) . . ?
C018 O029 O50 40.9(8) . 3_666 ?
O50 O029 O50 88.7(12) . 3_666 ?
C018 O029 Ag09 134.9(10) . 3_666 ?
O50 O029 Ag09 118.6(10) . 3_666 ?
O50 O029 Ag09 121.9(10) 3_666 3_666 ?
C01C C02B H02D 109.5 . . ?
C01C C02B H02E 109.5 . . ?
H02D C02B H02E 109.5 . . ?
C01C C02B H02F 109.5 . . ?
H02D C02B H02F 109.5 . . ?
H02E C02B H02F 109.5 . . ?
C01C C1 H1A 109.5 . . ?
C01C C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C01C C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C01C C2 H2A 109.5 . . ?
C01C C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C01C C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Ag01 S50 Ag07 81.5(2) . . ?
Ag01 S50 Cu1 128.9(4) . . ?
Ag07 S50 Cu1 92.4(3) . . ?
C018 O50 O029 49.2(9) . . ?
C018 O50 O029 42.0(8) . 3_666 ?
O029 O50 O029 91.3(12) . 3_666 ?
C018 O50 Ag08 130.3(10) . . ?
O029 O50 Ag08 104.1(10) . . ?
O029 O50 Ag08 129.6(10) 3_666 . ?
C018 O50 Ag03 124.4(9) . . ?
O029 O50 Ag03 135.3(11) . . ?
O029 O50 Ag03 96.8(9) 3_666 . ?
Ag08 O50 Ag03 104.0(6) . . ?
F01M C3 F026 104.5(15) . . ?
F01M C3 F024 103.3(13) . . ?
F026 C3 F024 103.1(15) . . ?
F01M C3 C028 117.4(14) . . ?
F026 C3 C028 113.1(13) . . ?
F024 C3 C028 113.8(15) . . ?
C028 O3 Ag0A 122.0(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag08 S00C C00Z C01T 99.8(8) 3_666 . . . ?
Ag09 S00C C00Z C01T -3.9(9) . . . . ?
Ag07 S00C C00Z C01T -89.8(8) . . . . ?
Ag04 S00C C00Z C01T -172.6(7) 3_666 . . . ?
Ag08 S00C C00Z C01G -139.6(7) 3_666 . . . ?
Ag09 S00C C00Z C01G 116.7(7) . . . . ?
Ag07 S00C C00Z C01G 30.8(9) . . . . ?
Ag04 S00C C00Z C01G -52.1(8) 3_666 . . . ?
Ag08 S00C C00Z C01N -18.9(9) 3_666 . . . ?
Ag09 S00C C00Z C01N -122.5(8) . . . . ?
Ag07 S00C C00Z C01N 151.6(7) . . . . ?
Ag04 S00C C00Z C01N 68.7(8) 3_666 . . . ?
Ag02 O00J C010 N3 -174.1(8) . . . . ?
Ag02 O00J C010 C020 7.2(17) . . . . ?
C01P N3 C010 O00J 0.8(18) . . . . ?
C011 N3 C010 O00J 175.6(11) . . . . ?
C01P N3 C010 C020 179.6(11) . . . . ?
C011 N3 C010 C020 -5.6(18) . . . . ?
Ag01 O00M C014 O00P -18.9(17) . . . . ?
Ag01 O00M C014 C015 162.2(8) . . . . ?
Ag02 O00P C014 O00M 1.6(19) . . . . ?
Ag02 O00P C014 C015 -179.6(8) . . . . ?
O00M C014 C015 F00S -32.9(16) . . . . ?
O00P C014 C015 F00S 148.1(12) . . . . ?
O00M C014 C015 F00I 88.2(14) . . . . ?
O00P C014 C015 F00I -90.9(14) . . . . ?
O00M C014 C015 F00T -155.9(11) . . . . ?
O00P C014 C015 F00T 25.1(16) . . . . ?
Ag05 S00F C016 C01B -115.0(8) . . . . ?
Ag08 S00F C016 C01B -12.1(10) . . . . ?
Ag06 S00F C016 C01B 75.8(9) . . . . ?
Ag02 S00F C016 C01B 160.6(7) . . . . ?
Ag05 S00F C016 C01Z 6.4(9) . . . . ?
Ag08 S00F C016 C01Z 109.3(8) . . . . ?
Ag06 S00F C016 C01Z -162.8(7) . . . . ?
Ag02 S00F C016 C01Z -78.1(9) . . . . ?
Ag05 S00F C016 C012 125.7(7) . . . . ?
Ag08 S00F C016 C012 -131.4(7) . . . . ?
Ag06 S00F C016 C012 -43.6(8) . . . . ?
Ag02 S00F C016 C012 41.2(8) . . . . ?
Ag07 O00K C017 O00L 6(2) . . . . ?
Ag07 O00K C017 C01S -171.0(9) . . . . ?
Ag04 O00L C017 O00K 0(2) 3_666 . . . ?
Ag04 O00L C017 C01S 176.5(9) 3_666 . . . ?
C021 N1 C019 O00U 171.4(16) . . . . ?
C01Q N1 C019 O00U -4(2) . . . . ?
C021 N1 C019 C01K -7(3) . . . . ?
C01Q N1 C019 C01K 178.0(14) . . . . ?
Ag05 S00E C01C C1 131.3(11) . . . . ?
Ag0A S00E C01C C1 40.0(13) 3_666 . . . ?
Ag07 S00E C01C C1 -48.5(13) . . . . ?
Ag01 S00E C01C C1 -142.9(11) . . . . ?
Ag05 S00E C01C C2 15.6(13) . . . . ?
Ag0A S00E C01C C2 -75.7(12) 3_666 . . . ?
Ag07 S00E C01C C2 -164.2(11) . . . . ?
Ag01 S00E C01C C2 101.4(12) . . . . ?
Ag05 S00E C01C C02B -103.7(12) . . . . ?
Ag0A S00E C01C C02B 165.1(11) 3_666 . . . ?
Ag07 S00E C01C C02B 76.6(12) . . . . ?
Ag01 S00E C01C C02B -17.9(13) . . . . ?
O00V C01A N2 C023 177.6(13) . . . . ?
C01D C01A N2 C023 -0.2(19) . . . . ?
O00V C01A N2 C022 -4.9(19) . . . . ?
C01D C01A N2 C022 177.4(12) . . . . ?
Ag03 S00D C01H C01O -10.8(9) . . . . ?
Ag0A S00D C01H C01O -103.8(8) . . . . ?
Ag06 S00D C01H C01O 72.7(8) . . . . ?
Ag04 S00D C01H C01O 159.3(7) . . . . ?
Ag03 S00D C01H C01U 111.0(8) . . . . ?
Ag0A S00D C01H C01U 17.9(10) . . . . ?
Ag06 S00D C01H C01U -165.5(7) . . . . ?
Ag04 S00D C01H C01U -78.9(9) . . . . ?
Ag03 S00D C01H C01R -131.1(7) . . . . ?
Ag0A S00D C01H C01R 135.9(7) . . . . ?
Ag06 S00D C01H C01R -47.5(8) . . . . ?
Ag04 S00D C01H C01R 39.0(8) . . . . ?
Ag04 O00N C01I O1 -1(2) . . . . ?
Ag04 O00N C01I C01L -179.4(7) . . . . ?
Ag06 O1 C01I O00N -18.2(18) . . . . ?
Ag06 O1 C01I C01L 160.4(7) . . . . ?
Ag09 S00B C01J C01X 139.9(8) . . . . ?
Ag03 S00B C01J C01X 36.3(10) . . . . ?
Ag02 S00B C01J C01X -53.4(9) . . . . ?
Ag01 S00B C01J C01X -134.1(8) . . . . ?
Ag09 S00B C01J C01W 21.0(10) . . . . ?
Ag03 S00B C01J C01W -82.7(9) . . . . ?
Ag02 S00B C01J C01W -172.4(8) . . . . ?
Ag01 S00B C01J C01W 106.9(8) . . . . ?
Ag09 S00B C01J C01Y -98.3(8) . . . . ?
Ag03 S00B C01J C01Y 158.1(8) . . . . ?
Ag02 S00B C01J C01Y 68.4(9) . . . . ?
Ag01 S00B C01J C01Y -12.4(9) . . . . ?
O00N C01I C01L F00O -3.4(17) . . . . ?
O1 C01I C01L F00O 177.7(12) . . . . ?
O00N C01I C01L F00W 122.4(13) . . . . ?
O1 C01I C01L F00W -56.5(15) . . . . ?
O00N C01I C01L F00Q -127.4(12) . . . . ?
O1 C01I C01L F00Q 53.7(14) . . . . ?
O00K C017 C01S F3 96(2) . . . . ?
O00L C017 C01S F3 -82(2) . . . . ?
O00K C017 C01S F4 -29.3(19) . . . . ?
O00L C017 C01S F4 153.3(14) . . . . ?
O00K C017 C01S F2 -137.3(15) . . . . ?
O00L C017 C01S F2 45(2) . . . . ?
O50 C018 O029 O50 180.002(5) 3_666 . . . ?
O50 C018 O029 O50 179.998(4) . . . 3_666 ?
O50 C018 O029 Ag09 89.5(18) 3_666 . . 3_666 ?
O50 C018 O029 Ag09 -90.5(18) . . . 3_666 ?
O029 C018 O50 O029 180.000(5) 3_666 . . . ?
O029 C018 O50 O029 180.000(4) . . . 3_666 ?
O029 C018 O50 Ag08 72.1(16) . . . . ?
O029 C018 O50 Ag08 -107.9(16) 3_666 . . . ?
O029 C018 O50 Ag03 -123.2(14) . . . . ?
O029 C018 O50 Ag03 56.8(14) 3_666 . . . ?
O50 O029 O50 C018 -0.001(3) 3_666 . . . ?
Ag09 O029 O50 C018 126.2(12) 3_666 . . . ?
C018 O029 O50 O029 0.000(4) . . . 3_666 ?
O50 O029 O50 O029 -0.002(2) 3_666 . . 3_666 ?
Ag09 O029 O50 O029 126.2(12) 3_666 . . 3_666 ?
C018 O029 O50 Ag08 -131.5(10) . . . . ?
O50 O029 O50 Ag08 -131.5(10) 3_666 . . . ?
Ag09 O029 O50 Ag08 -5.3(14) 3_666 . . . ?
C018 O029 O50 Ag03 100.9(15) . . . . ?
O50 O029 O50 Ag03 100.9(15) 3_666 . . . ?
Ag09 O029 O50 Ag03 -132.9(10) 3_666 . . . ?
O2 C028 C3 F01M 138(2) . . . . ?
O3 C028 C3 F01M -44(3) . . . . ?
O2 C028 C3 F026 17(3) . . . . ?
O3 C028 C3 F026 -166(2) . . . . ?
O2 C028 C3 F024 -101(3) . . . . ?
O3 C028 C3 F024 77(3) . . . . ?
O2 C028 O3 Ag0A -11(3) . . . . ?
C3 C028 O3 Ag0A 171.1(13) . . . . ?

_refine_diff_density_max         2.603
_refine_diff_density_min         -1.723
_refine_diff_density_rms         0.205



####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2183687'
loop_
_audit_author_name
_audit_author_address
'Sukhendu Mandal'
;IISERTVM
India
;
_audit_update_record             
;
2022-07-04 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69 H118 Ag20 Cu0 F24 N4 O24 S10'
_chemical_formula_weight         4321.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   15.4136(17)
_cell_length_b                   30.794(3)
_cell_length_c                   28.051(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.798(2)
_cell_angle_gamma                90
_cell_volume                     12930(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150
_cell_measurement_reflns_used    188717
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      28.416

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.220
_exptl_crystal_F_000             8272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.048
_exptl_absorpt_coefficient_mu    3.201
_shelx_estimated_absorpt_T_min   0.773
_shelx_estimated_absorpt_T_max   0.862
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            188717
_diffrn_reflns_av_unetI/netI     0.1104
_diffrn_reflns_av_R_equivalents  0.1480
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         0.998
_diffrn_reflns_theta_max         28.416
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             32294
_reflns_number_gt                13751
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SAINT'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al. , 2008)'
_computing_publication_material  'WINZX (Farrugia, 2014) and PLATON(Spek, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1203P)²+150.7932P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         32294
_refine_ls_number_parameters     1338
_refine_ls_number_restraints     1580
_refine_ls_R_factor_all          0.2141
_refine_ls_R_factor_gt           0.0938
_refine_ls_wR_factor_ref         0.2987
_refine_ls_wR_factor_gt          0.2318
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.83640(9) 0.43816(4) 0.79760(5) 0.0437(3) Uani 1 1 d . . . . .
Ag02 Ag 0.67305(8) 0.37778(4) 0.79090(5) 0.0423(3) Uani 1 1 d . . . . .
Ag03 Ag 0.65617(9) 0.13020(4) 0.70334(5) 0.0445(3) Uani 1 1 d . . . . .
Ag04 Ag 0.89994(8) 0.35707(4) 0.75883(5) 0.0432(3) Uani 1 1 d . . . . .
Ag05 Ag 0.75827(9) 0.21004(4) 0.83728(5) 0.0470(3) Uani 1 1 d . . . . .
Ag06 Ag 0.80801(8) 0.19462(4) 0.70856(5) 0.0445(3) Uani 1 1 d . . . . .
Ag07 Ag 0.51957(8) 0.19780(4) 0.63404(5) 0.0472(3) Uani 1 1 d . . . . .
Ag08 Ag 0.96572(8) 0.37211(4) 0.87487(5) 0.0470(3) Uani 1 1 d . . . . .
Ag09 Ag 0.57994(9) 0.21270(4) 0.74350(5) 0.0450(3) Uani 1 1 d . . . . .
Ag0A Ag 0.67003(9) 0.26485(4) 0.63166(5) 0.0484(3) Uani 1 1 d . . . . .
Ag0B Ag 0.66622(9) 0.44604(4) 0.71305(5) 0.0494(3) Uani 1 1 d . . . . .
Ag0C Ag 1.02141(9) 0.28027(4) 0.89394(5) 0.0501(4) Uani 1 1 d . . . . .
Ag0D Ag 0.81166(10) 0.30836(4) 0.86835(5) 0.0516(4) Uani 1 1 d . . . . .
Ag0E Ag 0.82190(9) 0.12591(4) 0.79525(6) 0.0534(4) Uani 1 1 d . . . . .
Ag0F Ag 0.96329(10) 0.25404(4) 0.78457(5) 0.0529(4) Uani 1 1 d . . . . .
Ag0G Ag 0.95548(10) 0.18314(5) 0.86248(5) 0.0538(4) Uani 1 1 d . . . . .
Ag0H Ag 0.71934(11) 0.36000(5) 0.66141(5) 0.0562(4) Uani 1 1 d . . . . .
Ag0I Ag 0.52429(10) 0.31739(5) 0.71786(6) 0.0621(4) Uani 1 1 d . . . . .
Ag0J Ag 0.46236(11) 0.28728(5) 0.60557(6) 0.0652(4) Uani 1 1 d . . . . .
Ag0K Ag 0.53104(12) 0.39912(6) 0.63285(6) 0.0721(5) Uani 1 1 d . . . . .
S00L S 0.6813(3) 0.18477(12) 0.63935(14) 0.0353(9) Uani 1 1 d . . . . .
S00M S 0.8015(3) 0.38776(13) 0.86093(14) 0.0368(9) Uani 1 1 d . . . . .
S00N S 0.6649(3) 0.15267(14) 0.79061(16) 0.0431(10) Uani 1 1 d D . . . .
S00O S 1.0250(2) 0.32386(13) 0.81759(15) 0.0361(9) Uani 1 1 d . . . . .
S00P S 0.5426(3) 0.39459(13) 0.72373(15) 0.0380(9) Uani 1 1 d . . . . .
S00Q S 0.9388(3) 0.17644(13) 0.77184(16) 0.0431(10) Uani 1 1 d . . . . .
S00R S 0.5909(3) 0.33339(14) 0.59874(15) 0.0438(10) Uani 1 1 d . . . . .
S00S S 0.8178(3) 0.41521(14) 0.70854(15) 0.0420(10) Uani 1 1 d D . . . .
S00T S 0.4581(3) 0.24969(14) 0.68604(17) 0.0453(10) Uani 1 1 d . . . . .
S00U S 0.8812(3) 0.24019(15) 0.90073(16) 0.0491(11) Uani 1 1 d . . . . .
O00V O 0.9957(8) 0.4503(4) 0.8507(4) 0.052(3) Uani 1 1 d . . . . .
O00W O 0.6877(9) 0.0580(4) 0.6961(5) 0.066(4) Uani 1 1 d . . . . .
O00X O 0.9989(9) 0.1230(4) 0.9065(5) 0.070(4) Uani 1 1 d . . . . .
O00Y O 0.6779(8) 0.4997(4) 0.7799(5) 0.065(4) Uani 1 1 d . . . . .
O010 O 0.8241(9) 0.5130(4) 0.7984(5) 0.068(4) Uani 1 1 d . . . . .
O011 O 1.0308(10) 0.3759(5) 0.9574(5) 0.072(4) Uani 1 1 d . . . . .
O012 O 0.4930(9) 0.1223(4) 0.6522(5) 0.067(4) Uani 1 1 d . . . . .
F013 F 0.7845(11) 0.5951(4) 0.8163(7) 0.125(5) Uani 1 1 d . . . . .
F014 F 0.6455(9) 0.5843(5) 0.7830(7) 0.128(6) Uani 1 1 d . . . . .
F015 F 0.7383(10) 0.5868(5) 0.7386(6) 0.109(5) Uani 1 1 d . . . . .
C016 C 0.4494(10) 0.4237(6) 0.7410(7) 0.046(4) Uani 1 1 d . . . . .
C017 C 0.7058(12) 0.1569(5) 0.5845(6) 0.042(3) Uani 1 1 d . . . . .
O018 O 0.8833(10) 0.0837(5) 0.8668(7) 0.102(5) Uani 1 1 d . . . . .
C019 C 0.7749(11) 0.4168(5) 0.9146(5) 0.037(3) Uani 1 1 d . . . . .
F01A F 0.7225(12) -0.0238(7) 0.6823(8) 0.064(6) Uiso 0.5 1 d D . P A 1
O01B O 1.0811(10) 0.3096(5) 0.9709(5) 0.079(4) Uani 1 1 d . . . . .
F01C F 0.5956(15) 0.5738(5) 0.6076(7) 0.162(8) Uani 1 1 d D . . B 1
O01D O 0.4309(10) 0.1831(5) 0.5581(5) 0.082(4) Uani 1 1 d . . . . .
O01E O 0.6207(11) 0.5041(4) 0.6615(6) 0.081(4) Uani 1 1 d . . . . .
F01H F 0.9855(11) 0.2455(6) 0.6184(6) 0.130(6) Uani 1 1 d . . . . .
C01I C 0.8366(12) 0.4575(6) 0.9262(6) 0.050(4) Uani 1 1 d . . . . .
H01A H 0.897402 0.448950 0.928580 0.075 Uiso 1 1 calc R U . . .
H01B H 0.831457 0.470026 0.956675 0.075 Uiso 1 1 calc R U . . .
H01C H 0.818906 0.478403 0.900313 0.075 Uiso 1 1 calc R U . . .
F01J F 1.0728(11) 0.0493(6) 0.9488(8) 0.156(7) Uani 1 1 d . . . . .
C01K C 1.0314(11) 0.1439(6) 0.7544(8) 0.058(4) Uani 1 1 d . . . . .
C01L C 0.7466(12) 0.5238(6) 0.7892(7) 0.050(4) Uani 1 1 d . . . . .
C01M C 0.6050(10) 0.1198(5) 0.8220(6) 0.056(5) Uiso 1 1 d D . . . .
F01N F 0.9464(15) 0.0469(6) 0.9659(7) 0.154(7) Uani 1 1 d . . . . .
C01O C 0.6768(11) 0.4301(6) 0.8989(7) 0.054(4) Uani 1 1 d . . . . .
H01D H 0.667853 0.448437 0.870512 0.081 Uiso 1 1 calc R U . . .
H01E H 0.660563 0.445535 0.925217 0.081 Uiso 1 1 calc R U . . .
H01F H 0.640341 0.404576 0.891182 0.081 Uiso 1 1 calc R U . . .
F01P F 0.9665(13) 0.0126(5) 0.9065(7) 0.130(5) Uani 1 1 d . . . . .
C01Q C 0.8794(11) 0.4445(6) 0.6772(6) 0.067(6) Uiso 1 1 d D . . . .
C01R C 0.7645(12) 0.0460(5) 0.7154(8) 0.057(5) Uani 1 1 d D . . . .
N01S N 0.4050(10) 0.0640(5) 0.6206(7) 0.063(4) Uani 1 1 d . . . . .
C01U C 1.1413(10) 0.3383(6) 0.8160(7) 0.047(4) Uani 1 1 d . . . . .
N01V N 1.0596(12) 0.5028(6) 0.9043(6) 0.070(4) Uani 1 1 d . . . . .
C01W C 0.7961(14) 0.3858(6) 0.9584(7) 0.064(5) Uani 1 1 d . . . . .
H01G H 0.759584 0.360322 0.950909 0.096 Uiso 1 1 calc R U . . .
H01H H 0.783989 0.399985 0.986633 0.096 Uiso 1 1 calc R U . . .
H01I H 0.857955 0.377745 0.965192 0.096 Uiso 1 1 calc R U . . .
N01X N 0.5905(14) -0.0435(7) 0.5409(7) 0.084(5) Uani 1 1 d . . . . .
F01Y F 1.0371(10) 0.2780(10) 0.6827(6) 0.199(11) Uani 1 1 d . . . . .
C01Z C 0.3646(12) 0.4001(7) 0.7185(9) 0.078(7) Uani 1 1 d . . . . .
H01J H 0.365771 0.390839 0.685986 0.117 Uiso 1 1 calc R U . . .
H01K H 0.314652 0.419162 0.716869 0.117 Uiso 1 1 calc R U . . .
H01L H 0.358979 0.375252 0.738176 0.117 Uiso 1 1 calc R U . . .
O020 O 0.5736(14) 0.4649(6) 0.5950(6) 0.111(6) Uani 1 1 d . . . . .
F022 F 1.0255(14) 0.3520(7) 1.0593(6) 0.154(7) Uani 1 1 d . . . . .
C023 C 0.7868(9) 0.0031(5) 0.7083(6) 0.071(6) Uiso 1 1 d D . . . .
C024 C 0.7306(14) 0.5721(7) 0.7816(9) 0.071(4) Uani 1 1 d . . . . .
C025 C 1.0104(13) 0.4869(6) 0.8652(7) 0.059(5) Uani 1 1 d . . . . .
H025 H 0.979625 0.507729 0.843657 0.070 Uiso 1 1 calc R U . . .
C026 C 0.4689(14) 0.0331(6) 0.6444(9) 0.079(7) Uani 1 1 d . . . . .
H02A H 0.449804 0.020541 0.671555 0.119 Uiso 1 1 calc R U . . .
H02B H 0.525577 0.047121 0.656247 0.119 Uiso 1 1 calc R U . . .
H02C H 0.474671 0.010637 0.621625 0.119 Uiso 1 1 calc R U . . .
O027 O 0.8216(11) 0.2868(8) 0.6137(7) 0.125(8) Uani 1 1 d . . . . .
C028 C 0.5945(17) 0.4989(8) 0.6181(9) 0.079(6) Uani 1 1 d D . . . .
O029 O 0.6539(17) 0.0111(6) 0.5057(7) 0.134(8) Uani 1 1 d . . . . .
C02A C 0.5986(14) 0.3448(6) 0.5348(7) 0.058(4) Uani 1 1 d . . . . .
C02B C 0.3147(13) 0.0500(7) 0.5924(8) 0.076(6) Uani 1 1 d . . . . .
H02D H 0.320614 0.026238 0.571274 0.114 Uiso 1 1 calc R U . . .
H02E H 0.285377 0.073827 0.573006 0.114 Uiso 1 1 calc R U . . .
H02F H 0.279894 0.040929 0.614836 0.114 Uiso 1 1 calc R U . . .
F02D F 1.1171(14) 0.3954(7) 1.0485(6) 0.154(7) Uani 1 1 d . . . . .
O02E O 0.8236(9) 0.0672(5) 0.7431(8) 0.127(7) Uani 1 1 d . . . . .
F02F F 0.9923(14) 0.3114(7) 0.6160(9) 0.169(8) Uani 1 1 d . . . . .
F02G F 0.8017(16) -0.0224(8) 0.7507(7) 0.086(7) Uiso 0.5 1 d D . P A 1
C02H C 0.4431(14) 0.4675(7) 0.7209(10) 0.091(7) Uani 1 1 d . . . . .
H02G H 0.497721 0.482784 0.734219 0.137 Uiso 1 1 calc R U . . .
H02H H 0.394303 0.482479 0.729477 0.137 Uiso 1 1 calc R U . . .
H02I H 0.432970 0.466010 0.685854 0.137 Uiso 1 1 calc R U . . .
C02I C 1.1101(13) 0.1750(7) 0.7592(10) 0.093(8) Uani 1 1 d . . . . .
H02J H 1.120625 0.189694 0.790180 0.140 Uiso 1 1 calc R U . . .
H02K H 1.096756 0.195907 0.733065 0.140 Uiso 1 1 calc R U . . .
H02L H 1.162464 0.158871 0.757193 0.140 Uiso 1 1 calc R U . . .
C02J C 0.8755(17) 0.2254(7) 0.9634(7) 0.072(5) Uani 1 1 d . . . . .
C02L C 0.8031(13) 0.1611(8) 0.5885(8) 0.079(7) Uani 1 1 d . . . . .
H02M H 0.817055 0.190802 0.582837 0.119 Uiso 1 1 calc R U . . .
H02N H 0.819874 0.142877 0.564418 0.119 Uiso 1 1 calc R U . . .
H02O H 0.835289 0.152478 0.620703 0.119 Uiso 1 1 calc R U . . .
C02M C 0.9848(19) 0.0497(9) 0.9313(11) 0.094(5) Uani 1 1 d . . . . .
O02N O 0.8752(12) 0.2774(8) 0.6931(7) 0.125(8) Uani 1 1 d . . . . .
O02O O 1.1293(13) 0.2137(6) 0.8996(7) 0.113(7) Uani 1 1 d . . . . .
C02P C 0.612(2) 0.3009(7) 0.5106(8) 0.097(8) Uani 1 1 d . . . . .
H02P H 0.621224 0.306016 0.478357 0.145 Uiso 1 1 calc R U . . .
H02Q H 0.560776 0.282893 0.508362 0.145 Uiso 1 1 calc R U . . .
H02R H 0.664059 0.286514 0.530257 0.145 Uiso 1 1 calc R U . . .
C02Q C 0.9521(13) 0.0879(7) 0.8956(9) 0.070(5) Uani 1 1 d . . . . .
C02R C 0.4214(13) 0.1059(6) 0.6249(8) 0.062(5) Uani 1 1 d . . . . .
H02S H 0.378674 0.124779 0.607077 0.074 Uiso 1 1 calc R U . . .
C02S C 0.830(2) 0.1837(8) 0.9629(9) 0.101(8) Uani 1 1 d . . . . .
H02T H 0.766749 0.188218 0.955160 0.151 Uiso 1 1 calc R U . . .
H02U H 0.848663 0.170326 0.994649 0.151 Uiso 1 1 calc R U . . .
H02V H 0.845403 0.165125 0.938654 0.151 Uiso 1 1 calc R U . . .
O02T O 0.3880(11) 0.2505(6) 0.5331(6) 0.090(5) Uani 1 1 d . . . . .
C02U C 0.3428(11) 0.2379(7) 0.6926(8) 0.063(5) Uani 1 1 d . . . . .
C02V C 0.682(2) 0.1113(6) 0.5882(9) 0.103(9) Uani 1 1 d . . . . .
H02W H 0.697377 0.102535 0.621994 0.154 Uiso 1 1 calc R U . . .
H02X H 0.713276 0.093740 0.569689 0.154 Uiso 1 1 calc R U . . .
H02Y H 0.618516 0.107838 0.575348 0.154 Uiso 1 1 calc R U . . .
C02W C 0.9758(15) 0.2790(10) 0.6435(9) 0.083(5) Uani 1 1 d . . . . .
C02Y C 0.635(2) -0.0080(9) 0.5411(11) 0.104(9) Uani 1 1 d . . . . .
H02 H 0.656498 0.004942 0.571636 0.124 Uiso 1 1 calc R U . . .
C02Z C 1.0477(17) 0.1048(8) 0.7874(12) 0.114(9) Uani 1 1 d . . . . .
H02Z H 1.071713 0.081731 0.771422 0.170 Uiso 1 1 calc R U . . .
HA H 0.992418 0.095587 0.794219 0.170 Uiso 1 1 calc R U . . .
HB H 1.089443 0.112123 0.817570 0.170 Uiso 1 1 calc R U . . .
F030 F 0.4952(19) 0.5403(7) 0.5579(10) 0.259(12) Uani 1 1 d D . . C 1
C031 C 0.8829(13) 0.2836(7) 0.6512(8) 0.061(5) Uani 1 1 d . . . . .
F032 F 0.2879(19) 0.2200(8) 0.4485(10) 0.107(10) Uiso 0.5 1 d D . P D 1
C033 C 0.9999(18) 0.1295(11) 0.7020(10) 0.134(11) Uani 1 1 d . . . . .
H03A H 0.983012 0.154389 0.681328 0.200 Uiso 1 1 calc R U . . .
H03B H 0.949304 0.110576 0.698965 0.200 Uiso 1 1 calc R U . . .
H03C H 1.047172 0.114220 0.692303 0.200 Uiso 1 1 calc R U . . .
C034 C 1.1094(16) 0.4702(7) 0.9404(8) 0.090(7) Uani 1 1 d . . . . .
H03D H 1.074089 0.462420 0.963028 0.135 Uiso 1 1 calc R U . . .
H03E H 1.165018 0.482467 0.958075 0.135 Uiso 1 1 calc R U . . .
H03F H 1.120940 0.444698 0.923127 0.135 Uiso 1 1 calc R U . . .
C035 C 1.0672(14) 0.3454(9) 0.9821(8) 0.071(5) Uani 1 1 d . . . . .
F037 F 0.3914(14) 0.1719(8) 0.4574(8) 0.075(7) Uiso 0.5 1 d D . P D 1
F038 F 0.2794(16) 0.1621(8) 0.4923(10) 0.082(8) Uiso 0.5 1 d D . P D 1
N039 N 0.2987(18) 0.4803(9) 0.5580(9) 0.127(9) Uani 1 1 d . . . . .
C03A C 0.4645(16) 0.4212(11) 0.7958(8) 0.116(10) Uani 1 1 d . . . . .
H03G H 0.472618 0.391378 0.806042 0.174 Uiso 1 1 calc R U . . .
H03H H 0.413743 0.432962 0.805551 0.174 Uiso 1 1 calc R U . . .
H03I H 0.516925 0.437497 0.810896 0.174 Uiso 1 1 calc R U . . .
F03B F 1.1560(17) 0.3331(9) 1.0622(6) 0.206(10) Uani 1 1 d . . . . .
C03C C 0.552(3) -0.0653(12) 0.4941(12) 0.166(15) Uani 1 1 d . . . . .
H3 H 0.519021 -0.044583 0.471053 0.249 Uiso 1 1 calc R U . . .
HC H 0.511734 -0.087865 0.499263 0.249 Uiso 1 1 calc R U . . .
HD H 0.598393 -0.077795 0.481249 0.249 Uiso 1 1 calc R U . . .
O03E O 0.3843(14) 0.4259(8) 0.5958(7) 0.141(8) Uani 1 1 d . . . . .
C03F C 0.816(2) 0.4777(11) 0.6388(12) 0.051(9) Uiso 0.5 1 d D . P E 1
H03J H 0.785866 0.496944 0.656543 0.076 Uiso 0.5 1 calc R U P E 1
H03K H 0.772441 0.461355 0.615470 0.076 Uiso 0.5 1 calc R U P E 1
H03L H 0.851948 0.494295 0.621944 0.076 Uiso 0.5 1 calc R U P E 1
C C 0.3723(19) 0.4561(9) 0.5658(10) 0.103(8) Uani 1 1 d . . . . .
H H 0.415348 0.461973 0.548458 0.123 Uiso 1 1 calc R U . . .
C03I C 1.1357(16) 0.3635(10) 0.7696(10) 0.115(10) Uani 1 1 d . . . . .
H03M H 1.120573 0.393100 0.774565 0.173 Uiso 1 1 calc R U . . .
H03N H 1.090527 0.350984 0.743635 0.173 Uiso 1 1 calc R U . . .
H03O H 1.192287 0.362436 0.761036 0.173 Uiso 1 1 calc R U . . .
C03K C 0.861(3) 0.2611(8) 0.9913(9) 0.143(13) Uani 1 1 d . . . . .
H03P H 0.904829 0.283022 0.990654 0.214 Uiso 1 1 calc R U . . .
H03Q H 0.865170 0.252146 1.024528 0.214 Uiso 1 1 calc R U . . .
H03R H 0.802274 0.272712 0.977722 0.214 Uiso 1 1 calc R U . . .
C03L C 0.6521(19) 0.1801(9) 0.5399(8) 0.108(9) Uani 1 1 d . . . . .
H03S H 0.589905 0.178943 0.539917 0.162 Uiso 1 1 calc R U . . .
H03T H 0.661362 0.166359 0.510831 0.162 Uiso 1 1 calc R U . . .
H03U H 0.670955 0.209889 0.540610 0.162 Uiso 1 1 calc R U . . .
C03M C 1.1817(15) 0.3645(9) 0.8572(10) 0.108(9) Uani 1 1 d . . . . .
H03V H 1.242941 0.369893 0.857077 0.162 Uiso 1 1 calc R U . . .
H03W H 1.178932 0.349647 0.886933 0.162 Uiso 1 1 calc R U . . .
H03X H 1.150305 0.391613 0.855477 0.162 Uiso 1 1 calc R U . . .
C03N C 1.071(2) 0.5462(8) 0.9186(11) 0.120(10) Uani 1 1 d . . . . .
H03Y H 1.043667 0.564547 0.891443 0.180 Uiso 1 1 calc R U . . .
HE H 1.133221 0.552770 0.929111 0.180 Uiso 1 1 calc R U . . .
HF H 1.042658 0.551277 0.945263 0.180 Uiso 1 1 calc R U . . .
C03O C 0.6728(18) 0.3723(8) 0.5354(8) 0.096(7) Uani 1 1 d . . . . .
H03Z H 0.726276 0.355182 0.540795 0.144 Uiso 1 1 calc R U . . .
HG H 0.678163 0.393281 0.561224 0.144 Uiso 1 1 calc R U . . .
HH H 0.664057 0.387059 0.504421 0.144 Uiso 1 1 calc R U . . .
C03Q C 0.3924(13) 0.2109(9) 0.5316(9) 0.074(6) Uani 1 1 d D . . . .
F03R F 0.627(2) 0.5357(5) 0.5528(8) 0.229(12) Uani 1 1 d D . . F 1
C03S C 0.5796(18) -0.0638(10) 0.5869(10) 0.118(10) Uani 1 1 d . . . . .
H4 H 0.625888 -0.053706 0.613878 0.177 Uiso 1 1 calc R U . . .
HI H 0.583451 -0.094800 0.584331 0.177 Uiso 1 1 calc R U . . .
HJ H 0.522362 -0.056089 0.592281 0.177 Uiso 1 1 calc R U . . .
C03T C 1.091(2) 0.3583(11) 1.0382(10) 0.104(6) Uani 1 1 d . . . . .
C03U C 0.955(2) 0.4739(11) 0.7131(11) 0.049(9) Uiso 0.5 1 d D . P E 1
H03 H 0.992073 0.487498 0.694190 0.073 Uiso 0.5 1 calc R U P E 1
HK H 0.991821 0.455717 0.737815 0.073 Uiso 0.5 1 calc R U P E 1
HL H 0.927157 0.495757 0.728590 0.073 Uiso 0.5 1 calc R U P E 1
C03V C 0.350(2) 0.2161(16) 0.7401(14) 0.200(17) Uani 1 1 d . . . . .
H1 H 0.389469 0.191497 0.742342 0.300 Uiso 1 1 calc R U . . .
HM H 0.292494 0.206577 0.742723 0.300 Uiso 1 1 calc R U . . .
HN H 0.374483 0.236042 0.766224 0.300 Uiso 1 1 calc R U . . .
C040 C 1.1953(18) 0.2985(9) 0.8142(13) 0.126(10) Uani 1 1 d . . . . .
H04A H 1.182693 0.287669 0.781155 0.189 Uiso 1 1 calc R U . . .
H04B H 1.180327 0.276813 0.835432 0.189 Uiso 1 1 calc R U . . .
H04C H 1.257622 0.305474 0.824776 0.189 Uiso 1 1 calc R U . . .
C042 C 0.5138(19) 0.3670(11) 0.5108(9) 0.124(10) Uani 1 1 d . . . . .
H04D H 0.517396 0.377408 0.479099 0.186 Uiso 1 1 calc R U . . .
H04E H 0.504117 0.391074 0.530726 0.186 Uiso 1 1 calc R U . . .
H04F H 0.465021 0.346923 0.507195 0.186 Uiso 1 1 calc R U . . .
C044 C 0.971(2) 0.2090(10) 0.9900(11) 0.129(10) Uani 1 1 d . . . . .
H04G H 0.985758 0.183699 0.973479 0.194 Uiso 1 1 calc R U . . .
H04H H 0.972153 0.201771 1.023436 0.194 Uiso 1 1 calc R U . . .
H04I H 1.014091 0.231429 0.989404 0.194 Uiso 1 1 calc R U . . .
C21 C 0.278(2) 0.5160(9) 0.5209(12) 0.145(13) Uani 1 1 d . . . . .
H21A H 0.332571 0.529304 0.517617 0.218 Uiso 1 1 calc R U . . .
H21B H 0.241086 0.537358 0.531354 0.218 Uiso 1 1 calc R U . . .
H21C H 0.246887 0.504244 0.489779 0.218 Uiso 1 1 calc R U . . .
C22 C 0.2973(19) 0.2767(11) 0.6954(17) 0.190(17) Uani 1 1 d . . . . .
H22A H 0.336588 0.296783 0.716315 0.285 Uiso 1 1 calc R U . . .
H22B H 0.246537 0.271081 0.708757 0.285 Uiso 1 1 calc R U . . .
H22C H 0.277553 0.289023 0.663209 0.285 Uiso 1 1 calc R U . . .
C32 C 0.305(2) 0.2054(13) 0.6602(14) 0.209(18) Uani 1 1 d . . . . .
H32A H 0.282888 0.217625 0.628071 0.314 Uiso 1 1 calc R U . . .
H32B H 0.256399 0.192388 0.671032 0.314 Uiso 1 1 calc R U . . .
H32C H 0.349127 0.183789 0.658982 0.314 Uiso 1 1 calc R U . . .
C37 C 0.227(2) 0.4760(16) 0.5871(17) 0.23(3) Uani 1 1 d . . . . .
H37A H 0.217320 0.445895 0.592921 0.350 Uiso 1 1 calc R U . . .
H37B H 0.172113 0.488695 0.568729 0.350 Uiso 1 1 calc R U . . .
H37C H 0.246006 0.490861 0.617946 0.350 Uiso 1 1 calc R U . . .
C26 C 0.5785(15) 0.5341(6) 0.5866(7) 0.141(8) Uani 1 1 d D . . . .
C43 C 0.671(3) 0.0790(12) 0.8494(17) 0.111(19) Uiso 0.5 1 d D . P G 1
H43A H 0.710782 0.089481 0.879013 0.167 Uiso 0.5 1 calc R U P G 1
H43B H 0.706010 0.068332 0.827615 0.167 Uiso 0.5 1 calc R U P G 1
H43C H 0.635242 0.055925 0.857222 0.167 Uiso 0.5 1 calc R U P G 1
C83 C 0.569(4) 0.145(2) 0.8667(16) 0.18(3) Uiso 0.5 1 d D . P G 1
H83A H 0.597845 0.132762 0.897892 0.272 Uiso 0.5 1 calc R U P G 1
H83B H 0.505415 0.141350 0.861250 0.272 Uiso 0.5 1 calc R U P G 1
H83C H 0.582686 0.175426 0.866508 0.272 Uiso 0.5 1 calc R U P G 1
C86 C 0.5169(19) 0.0974(12) 0.7836(12) 0.065(11) Uiso 0.5 1 d D . P G 1
H86A H 0.487067 0.078279 0.801503 0.097 Uiso 0.5 1 calc R U P G 1
H86B H 0.536452 0.081289 0.758802 0.097 Uiso 0.5 1 calc R U P G 1
H86C H 0.476377 0.119850 0.768352 0.097 Uiso 0.5 1 calc R U P G 1
F110 F 0.8628(12) -0.0037(8) 0.6945(9) 0.071(7) Uiso 0.5 1 d D . P A 1
C28 C 0.933(2) 0.4154(12) 0.6447(14) 0.066(11) Uiso 0.5 1 d D . P E 1
H28A H 0.973900 0.433628 0.632739 0.099 Uiso 0.5 1 calc R U P E 1
H28B H 0.891271 0.402622 0.617378 0.099 Uiso 0.5 1 calc R U P E 1
H28C H 0.966021 0.392783 0.664797 0.099 Uiso 0.5 1 calc R U P E 1
F22 F 0.519(2) 0.2607(9) 0.9096(11) 0.117(11) Uiso 0.5 1 d D . P H 1
F23 F 0.4427(18) 0.2920(13) 0.8436(11) 0.136(13) Uiso 0.5 1 d D . P H 1
C24 C 0.5899(10) 0.2843(6) 0.8489(6) 0.037(4) Uiso 1 1 d D . . . .
F35 F 0.532(2) 0.3297(8) 0.8988(12) 0.119(11) Uiso 0.5 1 d D . P H 1
C107 C 0.5249(12) 0.2902(6) 0.8750(7) 0.092(8) Uiso 1 1 d D . . . .
C1 C 0.3408(13) 0.1943(6) 0.4859(7) 0.146(13) Uiso 1 1 d D . . . .
O8 O 0.6834(14) 0.3032(7) 0.7179(8) 0.128(7) Uiso 1 1 d . . . . .
C9 C 0.7419(8) 0.2864(4) 0.7508(5) 0.023(3) Uiso 1 1 d . . . . .
O65 O 0.7983(14) 0.3047(7) 0.7796(8) 0.127(7) Uiso 1 1 d . . . . .
O2 O 0.7297(11) 0.2466(6) 0.7536(6) 0.098(5) Uiso 1 1 d . . . . .
F01B F 0.775(2) -0.0053(11) 0.6585(7) 0.133(12) Uiso 0.5 1 d D . P A 2
F02H F 0.7397(16) -0.0299(7) 0.7200(10) 0.091(8) Uiso 0.5 1 d D . P A 2
F1 F 0.8740(11) -0.0085(8) 0.7228(10) 0.079(7) Uiso 0.5 1 d D . P A 2
C86A C 0.5015(19) 0.1406(14) 0.8149(16) 0.098(16) Uiso 0.5 1 d D . P G 2
H86D H 0.466330 0.121495 0.829868 0.146 Uiso 0.5 1 calc R U P G 2
H86E H 0.473861 0.143463 0.780600 0.146 Uiso 0.5 1 calc R U P G 2
H86F H 0.505250 0.168569 0.830355 0.146 Uiso 0.5 1 calc R U P G 2
C83A C 0.650(3) 0.1189(13) 0.8821(9) 0.073(12) Uiso 0.5 1 d D . P G 2
H83D H 0.634232 0.145061 0.896729 0.110 Uiso 0.5 1 calc R U P G 2
H83E H 0.713772 0.117005 0.887837 0.110 Uiso 0.5 1 calc R U P G 2
H83F H 0.627789 0.094252 0.896423 0.110 Uiso 0.5 1 calc R U P G 2
C43A C 0.592(3) 0.0691(10) 0.8001(17) 0.12(2) Uiso 0.5 1 d D . P G 2
H43D H 0.649220 0.054633 0.807630 0.177 Uiso 0.5 1 calc R U P G 2
H43E H 0.569383 0.069943 0.765139 0.177 Uiso 0.5 1 calc R U P G 2
H43F H 0.551497 0.053704 0.814896 0.177 Uiso 0.5 1 calc R U P G 2
C28A C 0.9868(19) 0.4341(19) 0.688(2) 0.13(2) Uiso 0.5 1 d D . P E 2
H28D H 1.017770 0.459614 0.681166 0.191 Uiso 0.5 1 calc R U P E 2
H28E H 0.996529 0.410901 0.666760 0.191 Uiso 0.5 1 calc R U P E 2
H28F H 1.008793 0.425734 0.721427 0.191 Uiso 0.5 1 calc R U P E 2
C2 C 0.873(5) 0.4971(10) 0.685(4) 0.22(4) Uiso 0.5 1 d D . P E 2
H2A H 0.856591 0.511096 0.653432 0.335 Uiso 0.5 1 calc R U P E 2
H2B H 0.929812 0.507887 0.702830 0.335 Uiso 0.5 1 calc R U P E 2
H2C H 0.828574 0.503169 0.702903 0.335 Uiso 0.5 1 calc R U P E 2
C03G C 0.836(3) 0.4501(18) 0.6183(10) 0.097(16) Uiso 0.5 1 d D . P E 2
H2 H 0.775085 0.459365 0.613099 0.146 Uiso 0.5 1 calc R U P E 2
HO H 0.838487 0.422880 0.602060 0.146 Uiso 0.5 1 calc R U P E 2
HP H 0.869446 0.471506 0.605211 0.146 Uiso 0.5 1 calc R U P E 2
O49A O 0.582(5) 0.305(2) 0.8046(16) 0.24(3) Uiso 0.5 1 d D . P I 2
O41 O 0.599(3) 0.2592(14) 0.8306(15) 0.113(12) Uiso 0.5 1 d . . P I .
O68 O 0.632(3) 0.3081(17) 0.837(2) 0.143(16) Uiso 0.5 1 d . . P I .
F22A F 0.482(3) 0.2518(9) 0.8787(18) 0.19(2) Uiso 0.5 1 d D . P H 2
F23A F 0.455(2) 0.3183(11) 0.8592(13) 0.131(12) Uiso 0.5 1 d D . P H 2
F35A F 0.554(3) 0.3003(15) 0.9239(10) 0.177(17) Uiso 0.5 1 d D . P H 2
F0 F 0.373(3) 0.1999(15) 0.4431(14) 0.22(2) Uiso 0.5 1 d D . P D 2
F2 F 0.2590(19) 0.2177(10) 0.4712(15) 0.134(14) Uiso 0.5 1 d D . P D 2
F3 F 0.309(2) 0.1513(7) 0.4807(14) 0.130(14) Uiso 0.5 1 d D . P D 2
O22 O 0.659(3) 0.2660(16) 0.8755(18) 0.146(16) Uiso 0.5 1 d . . P I .


_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
Ag01 O010 2.313(13) . ?
Ag01 S00M 2.512(4) . ?
Ag01 S00S 2.546(4) . ?
Ag01 O00V 2.578(12) . ?
Ag01 Ag04 2.9810(18) . ?
Ag01 Ag0B 3.0979(19) . ?
Ag01 Ag02 3.0994(18) . ?
Ag01 Ag08 3.2784(19) . ?
Ag02 S00M 2.453(4) . ?
Ag02 S00P 2.460(4) . ?
Ag02 Ag0B 3.0149(18) . ?
Ag02 Ag0I 3.267(2) . ?
Ag03 O00W 2.296(13) . ?
Ag03 S00N 2.516(5) . ?
Ag03 S00L 2.555(4) . ?
Ag03 O012 2.593(13) . ?
Ag03 Ag06 3.0449(19) . ?
Ag03 Ag09 3.1202(18) . ?
Ag03 Ag0E 3.170(2) . ?
Ag03 Ag07 3.2547(19) . ?
Ag04 O65 2.41(2) . ?
Ag04 S00S 2.439(4) . ?
Ag04 S00O 2.442(4) . ?
Ag04 Ag08 3.2036(19) . ?
Ag04 Ag0F 3.3473(19) . ?
Ag05 S00N 2.451(5) . ?
Ag05 S00U 2.452(5) . ?
Ag05 O2 2.546(17) . ?
Ag05 Ag0G 3.066(2) . ?
Ag05 Ag0E 3.1007(19) . ?
Ag05 Ag0D 3.2036(19) . ?
Ag05 Ag09 3.3215(19) . ?
Ag06 S00Q 2.413(4) . ?
Ag06 S00L 2.423(4) . ?
Ag06 O2 2.518(18) . ?
Ag06 Ag0E 3.192(2) . ?
Ag06 Ag0F 3.3448(19) . ?
Ag07 O01D 2.285(14) . ?
Ag07 O012 2.435(12) . ?
Ag07 S00L 2.493(4) . ?
Ag07 S00T 2.498(4) . ?
Ag07 Ag0J 2.945(2) . ?
Ag07 Ag09 3.0235(19) . ?
Ag07 Ag0A 3.1178(19) . ?
Ag08 O011 2.297(14) . ?
Ag08 S00M 2.515(4) . ?
Ag08 S00O 2.515(4) . ?
Ag08 O00V 2.573(12) . ?
Ag08 Ag0C 2.9670(19) . ?
Ag08 Ag0D 3.053(2) . ?
Ag09 S00T 2.445(5) . ?
Ag09 S00N 2.460(5) . ?
Ag09 O2 2.488(17) . ?
Ag09 Ag0I 3.369(2) . ?
Ag0A S00L 2.478(4) . ?
Ag0A S00R 2.502(4) . ?
Ag0A O027 2.594(18) . ?
Ag0A Ag0H 3.0914(19) . ?
Ag0A Ag0J 3.185(2) . ?
Ag0B O01E 2.301(12) . ?
Ag0B O00Y 2.473(13) . ?
Ag0B S00P 2.550(4) . ?
Ag0B S00S 2.553(4) . ?
Ag0B Ag0K 3.042(2) . ?
Ag0B Ag0H 3.218(2) . ?
Ag0C O01B 2.317(14) . ?
Ag0C S00U 2.535(5) . ?
Ag0C S00O 2.539(4) . ?
Ag0C Ag0F 3.091(2) . ?
Ag0C Ag0G 3.214(2) . ?
Ag0C Ag0D 3.257(2) . ?
Ag0D S00U 2.433(5) . ?
Ag0D O65 2.45(2) . ?
Ag0D S00M 2.456(4) . ?
Ag0E O02E 2.328(15) . ?
Ag0E O018 2.390(16) . ?
Ag0E S00N 2.531(4) . ?
Ag0E S00Q 2.581(5) . ?
Ag0E Ag0G 3.008(2) . ?
Ag0F S00Q 2.432(4) . ?
Ag0F S00O 2.442(4) . ?
Ag0F Ag0G 3.112(2) . ?
Ag0G O00X 2.239(14) . ?
Ag0G S00U 2.477(5) . ?
Ag0G S00Q 2.502(5) . ?
Ag0H S00S 2.446(5) . ?
Ag0H S00R 2.454(5) . ?
Ag0H O8 2.51(2) . ?
Ag0H Ag0K 3.067(2) . ?
Ag0I S00P 2.395(4) . ?
Ag0I S00T 2.398(4) . ?
Ag0I O49A 2.41(4) . ?
Ag0I O8 2.49(2) . ?
Ag0I Ag0J 3.203(2) . ?
Ag0J O02T 2.370(17) . ?
Ag0J S00R 2.481(5) . ?
Ag0J S00T 2.552(5) . ?
Ag0K O03E 2.400(18) . ?
Ag0K O020 2.448(19) . ?
Ag0K S00R 2.507(4) . ?
Ag0K S00P 2.517(4) . ?
S00L C017 1.877(15) . ?
S00M C019 1.879(14) . ?
S00N C01M 1.743(13) . ?
S00O C01U 1.858(15) . ?
S00P C016 1.854(16) . ?
S00Q C01K 1.900(17) . ?
S00R C02A 1.859(17) . ?
S00S C01Q 1.697(13) . ?
S00T C02U 1.866(17) . ?
S00U C02J 1.839(18) . ?
O00V C025 1.20(2) . ?
O00W C01R 1.23(2) . ?
O00X C02Q 1.29(2) . ?
O00Y C01L 1.27(2) . ?
O010 C01L 1.21(2) . ?
O011 C035 1.22(3) . ?
O012 C02R 1.29(2) . ?
F013 C024 1.32(3) . ?
F014 C024 1.37(2) . ?
F015 C024 1.32(2) . ?
C016 C02H 1.46(3) . ?
C016 C03A 1.50(3) . ?
C016 C01Z 1.50(2) . ?
C017 C02V 1.46(2) . ?
C017 C02L 1.48(2) . ?
C017 C03L 1.50(3) . ?
O018 C02Q 1.18(3) . ?
C019 C01O 1.53(2) . ?
C019 C01W 1.53(2) . ?
C019 C01I 1.56(2) . ?
F01A C023 1.361(14) . ?
O01B C035 1.18(3) . ?
F01C C26 1.357(15) . ?
O01D C03Q 1.19(3) . ?
O01E C028 1.20(3) . ?
F01H C02W 1.28(3) . ?
C01I H01A 0.9600 . ?
C01I H01B 0.9600 . ?
C01I H01C 0.9600 . ?
F01J C02M 1.33(3) . ?
C01K C033 1.50(3) . ?
C01K C02Z 1.50(3) . ?
C01K C02I 1.53(3) . ?
C01L C024 1.51(3) . ?
C01M C83A 1.663(17) . ?
C01M C86 1.668(17) . ?
C01M C43A 1.672(18) . ?
C01M C83 1.679(18) . ?
C01M C43 1.686(18) . ?
C01M C86A 1.687(18) . ?
F01N C02M 1.26(3) . ?
C01O H01D 0.9600 . ?
C01O H01E 0.9600 . ?
C01O H01F 0.9600 . ?
F01P C02M 1.33(3) . ?
C01Q C03U 1.626(17) . ?
C01Q C03F 1.632(17) . ?
C01Q C03G 1.638(18) . ?
C01Q C28 1.640(17) . ?
C01Q C2 1.642(18) . ?
C01Q C28A 1.642(18) . ?
C01R O02E 1.23(2) . ?
C01R C023 1.392(13) . ?
N01S C02R 1.31(2) . ?
N01S C026 1.42(2) . ?
N01S C02B 1.49(2) . ?
C01U C03M 1.43(3) . ?
C01U C040 1.49(3) . ?
C01U C03I 1.50(3) . ?
N01V C025 1.27(2) . ?
N01V C03N 1.39(3) . ?
N01V C034 1.50(3) . ?
C01W H01G 0.9600 . ?
C01W H01H 0.9600 . ?
C01W H01I 0.9600 . ?
N01X C02Y 1.29(3) . ?
N01X C03C 1.47(3) . ?
N01X C03S 1.48(3) . ?
F01Y C02W 1.27(3) . ?
C01Z H01J 0.9600 . ?
C01Z H01K 0.9600 . ?
C01Z H01L 0.9600 . ?
O020 C028 1.23(3) . ?
F022 C03T 1.30(3) . ?
C023 F02H 1.333(15) . ?
C023 F110 1.335(14) . ?
C023 F1 1.356(14) . ?
C023 F01B 1.388(15) . ?
C023 F02G 1.398(15) . ?
C025 H025 0.9300 . ?
C026 H02A 0.9600 . ?
C026 H02B 0.9600 . ?
C026 H02C 0.9600 . ?
O027 C031 1.24(3) . ?
C028 C26 1.384(15) . ?
O029 C02Y 1.25(3) . ?
C02A C03O 1.42(3) . ?
C02A C042 1.49(3) . ?
C02A C02P 1.55(3) . ?
C02B H02D 0.9600 . ?
C02B H02E 0.9600 . ?
C02B H02F 0.9600 . ?
F02D C03T 1.22(3) . ?
F02F C02W 1.32(3) . ?
C02H H02G 0.9600 . ?
C02H H02H 0.9600 . ?
C02H H02I 0.9600 . ?
C02I H02J 0.9600 . ?
C02I H02K 0.9600 . ?
C02I H02L 0.9600 . ?
C02J C03K 1.40(3) . ?
C02J C02S 1.46(3) . ?
C02J C044 1.57(4) . ?
C02L H02M 0.9600 . ?
C02L H02N 0.9600 . ?
C02L H02O 0.9600 . ?
C02M C02Q 1.55(3) . ?
O02N C031 1.22(2) . ?
C02P H02P 0.9600 . ?
C02P H02Q 0.9600 . ?
C02P H02R 0.9600 . ?
C02R H02S 0.9300 . ?
C02S H02T 0.9600 . ?
C02S H02U 0.9600 . ?
C02S H02V 0.9600 . ?
O02T C03Q 1.22(3) . ?
C02U C32 1.38(3) . ?
C02U C22 1.40(3) . ?
C02U C03V 1.47(4) . ?
C02V H02W 0.9600 . ?
C02V H02X 0.9600 . ?
C02V H02Y 0.9600 . ?
C02W C031 1.50(3) . ?
C02Y H02 0.9300 . ?
C02Z H02Z 0.9600 . ?
C02Z HA 0.9600 . ?
C02Z HB 0.9600 . ?
F030 C26 1.357(15) . ?
F032 C1 1.408(16) . ?
C033 H03A 0.9600 . ?
C033 H03B 0.9600 . ?
C033 H03C 0.9600 . ?
C034 H03D 0.9600 . ?
C034 H03E 0.9600 . ?
C034 H03F 0.9600 . ?
C035 C03T 1.58(3) . ?
F037 C1 1.420(16) . ?
F038 C1 1.413(16) . ?
N039 C 1.33(3) . ?
N039 C21 1.50(3) . ?
N039 C37 1.53(4) . ?
C03A H03G 0.9600 . ?
C03A H03H 0.9600 . ?
C03A H03I 0.9600 . ?
F03B C03T 1.32(3) . ?
C03C H3 0.9600 . ?
C03C HC 0.9600 . ?
C03C HD 0.9600 . ?
O03E C 1.24(3) . ?
C03F H03J 0.9601 . ?
C03F H03K 0.9601 . ?
C03F H03L 0.9600 . ?
C H 0.9300 . ?
C03I H03M 0.9600 . ?
C03I H03N 0.9600 . ?
C03I H03O 0.9600 . ?
C03K H03P 0.9600 . ?
C03K H03Q 0.9600 . ?
C03K H03R 0.9600 . ?
C03L H03S 0.9600 . ?
C03L H03T 0.9600 . ?
C03L H03U 0.9600 . ?
C03M H03V 0.9600 . ?
C03M H03W 0.9600 . ?
C03M H03X 0.9600 . ?
C03N H03Y 0.9600 . ?
C03N HE 0.9600 . ?
C03N HF 0.9600 . ?
C03O H03Z 0.9600 . ?
C03O HG 0.9600 . ?
C03O HH 0.9600 . ?
C03Q C1 1.434(15) . ?
F03R C26 1.344(15) . ?
C03S H4 0.9600 . ?
C03S HI 0.9600 . ?
C03S HJ 0.9600 . ?
C03U H03 0.9601 . ?
C03U HK 0.9601 . ?
C03U HL 0.9601 . ?
C03V H1 0.9600 . ?
C03V HM 0.9600 . ?
C03V HN 0.9600 . ?
C040 H04A 0.9600 . ?
C040 H04B 0.9600 . ?
C040 H04C 0.9600 . ?
C042 H04D 0.9600 . ?
C042 H04E 0.9600 . ?
C042 H04F 0.9600 . ?
C044 H04G 0.9600 . ?
C044 H04H 0.9600 . ?
C044 H04I 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9608 . ?
C22 H22B 0.9607 . ?
C22 H22C 0.9607 . ?
C32 H32A 0.9601 . ?
C32 H32B 0.9601 . ?
C32 H32C 0.9601 . ?
C37 H37A 0.9601 . ?
C37 H37B 0.9601 . ?
C37 H37C 0.9601 . ?
C43 H43A 0.9601 . ?
C43 H43B 0.9601 . ?
C43 H43C 0.9601 . ?
C83 H83A 0.9601 . ?
C83 H83B 0.9601 . ?
C83 H83C 0.9601 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
F22 C107 1.350(16) . ?
F23 C107 1.361(16) . ?
C24 O41 0.96(4) . ?
C24 O68 1.09(5) . ?
C24 O22 1.28(5) . ?
C24 O49A 1.373(18) . ?
C24 C107 1.386(14) . ?
F35 C107 1.379(16) . ?
C107 F23A 1.366(16) . ?
C107 F35A 1.375(17) . ?
C107 F22A 1.377(17) . ?
C1 F3 1.411(17) . ?
C1 F0 1.416(17) . ?
C1 F2 1.426(17) . ?
O8 C9 1.24(2) . ?
C9 O65 1.18(2) . ?
C9 O2 1.25(2) . ?
C86A H86D 0.9600 . ?
C86A H86E 0.9600 . ?
C86A H86F 0.9600 . ?
C83A H83D 0.9601 . ?
C83A H83E 0.9601 . ?
C83A H83F 0.9601 . ?
C43A H43D 0.9600 . ?
C43A H43E 0.9600 . ?
C43A H43F 0.9600 . ?
C28A H28D 0.9604 . ?
C28A H28E 0.9604 . ?
C28A H28F 0.9604 . ?
C2 H2A 0.9606 . ?
C2 H2B 0.9605 . ?
C2 H2C 0.9606 . ?
C03G H2 0.9601 . ?
C03G HO 0.9601 . ?
C03G HP 0.9601 . ?
O49A O68 1.05(7) . ?
O49A O41 1.58(6) . ?
O41 O22 1.39(6) . ?
O41 O68 1.59(6) . ?
O68 O22 1.68(7) . ?

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
O010 Ag01 S00M 125.2(4) . . ?
O010 Ag01 S00S 107.2(4) . . ?
S00M Ag01 S00S 121.96(14) . . ?
O010 Ag01 O00V 85.3(4) . . ?
S00M Ag01 O00V 90.9(3) . . ?
S00S Ag01 O00V 118.4(3) . . ?
O010 Ag01 Ag04 150.8(4) . . ?
S00M Ag01 Ag04 83.39(10) . . ?
S00S Ag01 Ag04 51.64(10) . . ?
O00V Ag01 Ag04 89.0(3) . . ?
O010 Ag01 Ag0B 82.7(3) . . ?
S00M Ag01 Ag0B 107.73(11) . . ?
S00S Ag01 Ag0B 52.69(10) . . ?
O00V Ag01 Ag0B 161.3(3) . . ?
Ag04 Ag01 Ag0B 94.49(5) . . ?
O010 Ag01 Ag02 122.1(3) . . ?
S00M Ag01 Ag02 50.52(10) . . ?
S00S Ag01 Ag02 82.78(10) . . ?
O00V Ag01 Ag02 140.4(3) . . ?
Ag04 Ag01 Ag02 78.94(5) . . ?
Ag0B Ag01 Ag02 58.22(4) . . ?
O010 Ag01 Ag08 130.5(4) . . ?
S00M Ag01 Ag08 49.33(10) . . ?
S00S Ag01 Ag08 112.64(11) . . ?
O00V Ag01 Ag08 50.4(3) . . ?
Ag04 Ag01 Ag08 61.35(4) . . ?
Ag0B Ag01 Ag08 145.59(5) . . ?
Ag02 Ag01 Ag08 91.43(5) . . ?
S00M Ag02 S00P 160.55(15) . . ?
S00M Ag02 Ag0B 112.02(11) . . ?
S00P Ag02 Ag0B 54.38(10) . . ?
S00M Ag02 Ag01 52.24(10) . . ?
S00P Ag02 Ag01 115.07(11) . . ?
Ag0B Ag02 Ag01 60.86(4) . . ?
S00M Ag02 Ag0I 152.27(11) . . ?
S00P Ag02 Ag0I 46.87(10) . . ?
Ag0B Ag02 Ag0I 92.55(5) . . ?
Ag01 Ag02 Ag0I 144.88(6) . . ?
O00W Ag03 S00N 112.9(4) . . ?
O00W Ag03 S00L 120.3(4) . . ?
S00N Ag03 S00L 121.38(14) . . ?
O00W Ag03 O012 93.3(4) . . ?
S00N Ag03 O012 112.6(3) . . ?
S00L Ag03 O012 87.8(3) . . ?
O00W Ag03 Ag06 117.3(3) . . ?
S00N Ag03 Ag06 84.96(10) . . ?
S00L Ag03 Ag06 50.34(10) . . ?
O012 Ag03 Ag06 136.1(3) . . ?
O00W Ag03 Ag09 157.9(4) . . ?
S00N Ag03 Ag09 50.37(10) . . ?
S00L Ag03 Ag09 81.44(9) . . ?
O012 Ag03 Ag09 82.9(3) . . ?
Ag06 Ag03 Ag09 78.66(5) . . ?
O00W Ag03 Ag0E 83.4(3) . . ?
S00N Ag03 Ag0E 51.30(10) . . ?
S00L Ag03 Ag0E 111.79(10) . . ?
O012 Ag03 Ag0E 159.0(3) . . ?
Ag06 Ag03 Ag0E 61.77(4) . . ?
Ag09 Ag03 Ag0E 92.30(5) . . ?
O00W Ag03 Ag07 133.4(4) . . ?
S00N Ag03 Ag07 106.37(11) . . ?
S00L Ag03 Ag07 49.03(9) . . ?
O012 Ag03 Ag07 47.6(3) . . ?
Ag06 Ag03 Ag07 89.56(5) . . ?
Ag09 Ag03 Ag07 56.58(4) . . ?
Ag0E Ag03 Ag07 142.51(5) . . ?
O65 Ag04 S00S 110.6(5) . . ?
O65 Ag04 S00O 90.6(5) . . ?
S00S Ag04 S00O 156.25(15) . . ?
O65 Ag04 Ag01 100.5(5) . . ?
S00S Ag04 Ag01 54.94(11) . . ?
S00O Ag04 Ag01 112.31(11) . . ?
O65 Ag04 Ag08 85.3(5) . . ?
S00S Ag04 Ag08 118.45(12) . . ?
S00O Ag04 Ag08 50.73(10) . . ?
Ag01 Ag04 Ag08 63.90(4) . . ?
O65 Ag04 Ag0F 59.2(5) . . ?
S00S Ag04 Ag0F 154.85(12) . . ?
S00O Ag04 Ag0F 46.74(10) . . ?
Ag01 Ag04 Ag0F 145.05(6) . . ?
Ag08 Ag04 Ag0F 84.98(4) . . ?
S00N Ag05 S00U 156.12(16) . . ?
S00N Ag05 O2 82.9(4) . . ?
S00U Ag05 O2 115.8(4) . . ?
S00N Ag05 Ag0G 110.62(11) . . ?
S00U Ag05 Ag0G 51.89(12) . . ?
O2 Ag05 Ag0G 106.0(4) . . ?
S00N Ag05 Ag0E 52.67(11) . . ?
S00U Ag05 Ag0E 109.42(12) . . ?
O2 Ag05 Ag0E 91.1(4) . . ?
Ag0G Ag05 Ag0E 58.39(4) . . ?
S00N Ag05 Ag0D 155.03(12) . . ?
S00U Ag05 Ag0D 48.75(11) . . ?
O2 Ag05 Ag0D 79.0(4) . . ?
Ag0G Ag05 Ag0D 90.94(5) . . ?
Ag0E Ag05 Ag0D 144.01(6) . . ?
S00N Ag05 Ag09 47.56(11) . . ?
S00U Ag05 Ag09 156.32(12) . . ?
O2 Ag05 Ag09 48.0(4) . . ?
Ag0G Ag05 Ag09 140.98(6) . . ?
Ag0E Ag05 Ag09 89.80(5) . . ?
Ag0D Ag05 Ag09 107.61(5) . . ?
S00Q Ag06 S00L 158.93(15) . . ?
S00Q Ag06 O2 101.2(4) . . ?
S00L Ag06 O2 95.2(4) . . ?
S00Q Ag06 Ag03 112.46(12) . . ?
S00L Ag06 Ag03 54.28(10) . . ?
O2 Ag06 Ag03 89.1(4) . . ?
S00Q Ag06 Ag0E 52.65(11) . . ?
S00L Ag06 Ag0E 114.98(10) . . ?
O2 Ag06 Ag0E 89.6(4) . . ?
Ag03 Ag06 Ag0E 61.04(4) . . ?
S00Q Ag06 Ag0F 46.58(10) . . ?
S00L Ag06 Ag0F 153.77(11) . . ?
O2 Ag06 Ag0F 71.8(4) . . ?
Ag03 Ag06 Ag0F 144.29(6) . . ?
Ag0E Ag06 Ag0F 88.24(5) . . ?
O01D Ag07 O012 85.0(5) . . ?
O01D Ag07 S00L 113.0(4) . . ?
O012 Ag07 S00L 92.8(3) . . ?
O01D Ag07 S00T 116.4(4) . . ?
O012 Ag07 S00T 112.5(4) . . ?
S00L Ag07 S00T 125.51(14) . . ?
O01D Ag07 Ag0J 81.9(4) . . ?
O012 Ag07 Ag0J 153.6(3) . . ?
S00L Ag07 Ag0J 113.40(10) . . ?
S00T Ag07 Ag0J 55.18(12) . . ?
O01D Ag07 Ag09 161.3(4) . . ?
O012 Ag07 Ag09 87.7(3) . . ?
S00L Ag07 Ag09 84.41(10) . . ?
S00T Ag07 Ag09 51.50(11) . . ?
Ag0J Ag07 Ag09 97.65(6) . . ?
O01D Ag07 Ag0A 113.2(4) . . ?
O012 Ag07 Ag0A 143.1(3) . . ?
S00L Ag07 Ag0A 50.94(9) . . ?
S00T Ag07 Ag0A 88.65(10) . . ?
Ag0J Ag07 Ag0A 63.30(5) . . ?
Ag09 Ag07 Ag0A 82.58(5) . . ?
O01D Ag07 Ag03 126.0(4) . . ?
O012 Ag07 Ag03 51.8(3) . . ?
S00L Ag07 Ag03 50.69(9) . . ?
S00T Ag07 Ag03 109.99(12) . . ?
Ag0J Ag07 Ag03 150.42(6) . . ?
Ag09 Ag07 Ag03 59.47(4) . . ?
Ag0A Ag07 Ag03 93.31(5) . . ?
O011 Ag08 S00M 109.2(4) . . ?
O011 Ag08 S00O 122.5(4) . . ?
S00M Ag08 S00O 121.30(13) . . ?
O011 Ag08 O00V 98.9(5) . . ?
S00M Ag08 O00V 91.0(3) . . ?
S00O Ag08 O00V 105.6(3) . . ?
O011 Ag08 Ag0C 80.2(4) . . ?
S00M Ag08 Ag0C 116.61(11) . . ?
S00O Ag08 Ag0C 54.44(10) . . ?
O00V Ag08 Ag0C 151.3(3) . . ?
O011 Ag08 Ag0D 103.9(4) . . ?
S00M Ag08 Ag0D 51.24(10) . . ?
S00O Ag08 Ag0D 88.72(10) . . ?
O00V Ag08 Ag0D 140.6(3) . . ?
Ag0C Ag08 Ag0D 65.50(5) . . ?
O011 Ag08 Ag04 171.2(4) . . ?
S00M Ag08 Ag04 78.86(9) . . ?
S00O Ag08 Ag04 48.74(10) . . ?
O00V Ag08 Ag04 84.3(3) . . ?
Ag0C Ag08 Ag04 93.05(5) . . ?
Ag0D Ag08 Ag04 78.05(5) . . ?
O011 Ag08 Ag01 133.3(4) . . ?
S00M Ag08 Ag01 49.26(9) . . ?
S00O Ag08 Ag01 101.56(10) . . ?
O00V Ag08 Ag01 50.5(3) . . ?
Ag0C Ag08 Ag01 144.56(6) . . ?
Ag0D Ag08 Ag01 91.02(5) . . ?
Ag04 Ag08 Ag01 54.74(4) . . ?
S00T Ag09 S00N 158.55(15) . . ?
S00T Ag09 O2 115.2(4) . . ?
S00N Ag09 O2 83.9(4) . . ?
S00T Ag09 Ag07 53.08(11) . . ?
S00N Ag09 Ag07 115.27(12) . . ?
O2 Ag09 Ag07 103.4(4) . . ?
S00T Ag09 Ag03 115.94(12) . . ?
S00N Ag09 Ag03 51.98(11) . . ?
O2 Ag09 Ag03 87.9(4) . . ?
Ag07 Ag09 Ag03 63.96(4) . . ?
S00T Ag09 Ag05 153.38(12) . . ?
S00N Ag09 Ag05 47.34(11) . . ?
O2 Ag09 Ag05 49.5(4) . . ?
Ag07 Ag09 Ag05 142.81(6) . . ?
Ag03 Ag09 Ag05 87.37(5) . . ?
S00T Ag09 Ag0I 45.34(11) . . ?
S00N Ag09 Ag0I 155.43(12) . . ?
O2 Ag09 Ag0I 78.7(4) . . ?
Ag07 Ag09 Ag0I 85.84(5) . . ?
Ag03 Ag09 Ag0I 143.19(6) . . ?
Ag05 Ag09 Ag0I 108.25(5) . . ?
S00L Ag0A S00R 152.81(15) . . ?
S00L Ag0A O027 103.2(5) . . ?
S00R Ag0A O027 95.2(5) . . ?
S00L Ag0A Ag0H 155.81(11) . . ?
S00R Ag0A Ag0H 50.72(11) . . ?
O027 Ag0A Ag0H 68.4(5) . . ?
S00L Ag0A Ag07 51.38(10) . . ?
S00R Ag0A Ag07 105.48(12) . . ?
O027 Ag0A Ag07 152.3(5) . . ?
Ag0H Ag0A Ag07 139.31(6) . . ?
S00L Ag0A Ag0J 106.34(11) . . ?
S00R Ag0A Ag0J 50.00(11) . . ?
O027 Ag0A Ag0J 143.3(4) . . ?
Ag0H Ag0A Ag0J 91.46(5) . . ?
Ag07 Ag0A Ag0J 55.70(4) . . ?
O01E Ag0B O00Y 85.1(5) . . ?
O01E Ag0B S00P 115.6(4) . . ?
O00Y Ag0B S00P 104.3(3) . . ?
O01E Ag0B S00S 113.8(4) . . ?
O00Y Ag0B S00S 112.6(3) . . ?
S00P Ag0B S00S 119.54(14) . . ?
O01E Ag0B Ag02 161.7(4) . . ?
O00Y Ag0B Ag02 86.1(3) . . ?
S00P Ag0B Ag02 51.65(10) . . ?
S00S Ag0B Ag02 84.39(10) . . ?
O01E Ag0B Ag0K 81.5(4) . . ?
O00Y Ag0B Ag0K 142.3(3) . . ?
S00P Ag0B Ag0K 52.60(10) . . ?
S00S Ag0B Ag0K 105.09(11) . . ?
Ag02 Ag0B Ag0K 95.97(6) . . ?
O01E Ag0B Ag01 128.2(5) . . ?
O00Y Ag0B Ag01 64.9(3) . . ?
S00P Ag0B Ag01 112.41(10) . . ?
S00S Ag0B Ag01 52.48(10) . . ?
Ag02 Ag0B Ag01 60.92(4) . . ?
Ag0K Ag0B Ag01 146.57(6) . . ?
O01E Ag0B Ag0H 115.4(4) . . ?
O00Y Ag0B Ag0H 155.6(3) . . ?
S00P Ag0B Ag0H 79.55(10) . . ?
S00S Ag0B Ag0H 48.50(10) . . ?
Ag02 Ag0B Ag0H 77.48(5) . . ?
Ag0K Ag0B Ag0H 58.60(5) . . ?
Ag01 Ag0B Ag0H 91.16(5) . . ?
O01B Ag0C S00U 106.0(4) . . ?
O01B Ag0C S00O 119.7(4) . . ?
S00U Ag0C S00O 120.74(14) . . ?
O01B Ag0C Ag08 80.2(4) . . ?
S00U Ag0C Ag08 105.22(12) . . ?
S00O Ag0C Ag08 53.66(9) . . ?
O01B Ag0C Ag0F 169.3(4) . . ?
S00U Ag0C Ag0F 84.08(11) . . ?
S00O Ag0C Ag0F 50.25(9) . . ?
Ag08 Ag0C Ag0F 93.85(5) . . ?
O01B Ag0C Ag0G 130.3(4) . . ?
S00U Ag0C Ag0G 49.32(11) . . ?
S00O Ag0C Ag0G 109.23(10) . . ?
Ag08 Ag0C Ag0G 141.14(6) . . ?
Ag0F Ag0C Ag0G 59.10(4) . . ?
O01B Ag0C Ag0D 104.7(4) . . ?
S00U Ag0C Ag0D 47.68(11) . . ?
S00O Ag0C Ag0D 83.90(10) . . ?
Ag08 Ag0C Ag0D 58.52(4) . . ?
Ag0F Ag0C Ag0D 79.23(5) . . ?
Ag0G Ag0C Ag0D 87.39(5) . . ?
S00U Ag0D O65 105.2(5) . . ?
S00U Ag0D S00M 154.76(16) . . ?
O65 Ag0D S00M 88.4(5) . . ?
S00U Ag0D Ag08 105.38(12) . . ?
O65 Ag0D Ag08 88.1(5) . . ?
S00M Ag0D Ag08 52.99(10) . . ?
S00U Ag0D Ag05 49.28(11) . . ?
O65 Ag0D Ag05 74.1(5) . . ?
S00M Ag0D Ag05 155.63(11) . . ?
Ag08 Ag0D Ag05 140.33(6) . . ?
S00U Ag0D Ag0C 50.39(12) . . ?
O65 Ag0D Ag0C 92.9(5) . . ?
S00M Ag0D Ag0C 108.86(11) . . ?
Ag08 Ag0D Ag0C 55.98(4) . . ?
Ag05 Ag0D Ag0C 89.20(5) . . ?
O02E Ag0E O018 92.5(7) . . ?
O02E Ag0E S00N 112.0(4) . . ?
O018 Ag0E S00N 113.7(4) . . ?
O02E Ag0E S00Q 101.2(5) . . ?
O018 Ag0E S00Q 112.4(4) . . ?
S00N Ag0E S00Q 120.51(14) . . ?
O02E Ag0E Ag0G 137.7(4) . . ?
O018 Ag0E Ag0G 73.6(4) . . ?
S00N Ag0E Ag0G 110.17(11) . . ?
S00Q Ag0E Ag0G 52.51(10) . . ?
O02E Ag0E Ag05 159.9(4) . . ?
O018 Ag0E Ag05 103.5(5) . . ?
S00N Ag0E Ag05 50.37(11) . . ?
S00Q Ag0E Ag05 84.05(10) . . ?
Ag0G Ag0E Ag05 60.23(5) . . ?
O02E Ag0E Ag03 69.5(4) . . ?
O018 Ag0E Ag03 141.9(4) . . ?
S00N Ag0E Ag03 50.89(10) . . ?
S00Q Ag0E Ag03 104.12(11) . . ?
Ag0G Ag0E Ag03 141.61(6) . . ?
Ag05 Ag0E Ag03 90.45(5) . . ?
O02E Ag0E Ag06 92.6(6) . . ?
O018 Ag0E Ag06 160.4(3) . . ?
S00N Ag0E Ag06 81.69(10) . . ?
S00Q Ag0E Ag06 47.98(10) . . ?
Ag0G Ag0E Ag06 90.04(5) . . ?
Ag05 Ag0E Ag06 76.46(5) . . ?
Ag03 Ag0E Ag06 57.19(4) . . ?
S00Q Ag0F S00O 162.43(16) . . ?
S00Q Ag0F Ag0C 113.61(12) . . ?
S00O Ag0F Ag0C 53.07(10) . . ?
S00Q Ag0F Ag0G 51.91(11) . . ?
S00O Ag0F Ag0G 115.35(11) . . ?
Ag0C Ag0F Ag0G 62.41(5) . . ?
S00Q Ag0F Ag06 46.10(11) . . ?
S00O Ag0F Ag06 151.40(11) . . ?
Ag0C Ag0F Ag06 140.31(6) . . ?
Ag0G Ag0F Ag06 85.54(5) . . ?
S00Q Ag0F Ag04 150.75(12) . . ?
S00O Ag0F Ag04 46.73(10) . . ?
Ag0C Ag0F Ag04 88.11(5) . . ?
Ag0G Ag0F Ag04 139.32(6) . . ?
Ag06 Ag0F Ag04 104.68(5) . . ?
O00X Ag0G S00U 117.1(4) . . ?
O00X Ag0G S00Q 116.0(4) . . ?
S00U Ag0G S00Q 123.54(15) . . ?
O00X Ag0G Ag0E 86.1(4) . . ?
S00U Ag0G Ag0E 111.67(12) . . ?
S00Q Ag0G Ag0E 54.95(10) . . ?
O00X Ag0G Ag05 120.0(4) . . ?
S00U Ag0G Ag05 51.17(12) . . ?
S00Q Ag0G Ag05 86.10(10) . . ?
Ag0E Ag0G Ag05 61.38(5) . . ?
O00X Ag0G Ag0F 155.7(4) . . ?
S00U Ag0G Ag0F 84.60(11) . . ?
S00Q Ag0G Ag0F 49.91(10) . . ?
Ag0E Ag0G Ag0F 96.09(6) . . ?
Ag05 Ag0G Ag0F 81.42(5) . . ?
O00X Ag0G Ag0C 125.8(4) . . ?
S00U Ag0G Ag0C 50.90(11) . . ?
S00Q Ag0G Ag0C 107.75(11) . . ?
Ag0E Ag0G Ag0C 147.31(6) . . ?
Ag05 Ag0G Ag0C 92.47(5) . . ?
Ag0F Ag0G Ag0C 58.48(4) . . ?
S00S Ag0H S00R 155.47(15) . . ?
S00S Ag0H O8 110.2(5) . . ?
S00R Ag0H O8 87.6(5) . . ?
S00S Ag0H Ag0K 107.13(12) . . ?
S00R Ag0H Ag0K 52.59(11) . . ?
O8 Ag0H Ag0K 95.8(5) . . ?
S00S Ag0H Ag0A 152.31(12) . . ?
S00R Ag0H Ag0A 52.10(10) . . ?
O8 Ag0H Ag0A 55.4(5) . . ?
Ag0K Ag0H Ag0A 98.36(6) . . ?
S00S Ag0H Ag0B 51.40(11) . . ?
S00R Ag0H Ag0B 110.42(12) . . ?
O8 Ag0H Ag0B 99.9(5) . . ?
Ag0K Ag0H Ag0B 57.84(5) . . ?
Ag0A Ag0H Ag0B 146.04(6) . . ?
S00P Ag0I S00T 157.13(17) . . ?
S00P Ag0I O49A 94.6(19) . . ?
S00T Ag0I O49A 104.9(19) . . ?
S00P Ag0I O8 94.3(5) . . ?
S00T Ag0I O8 100.3(5) . . ?
O49A Ag0I O8 81(2) . . ?
S00P Ag0I Ag0J 110.95(12) . . ?
S00T Ag0I Ag0J 51.80(12) . . ?
O49A Ag0I Ag0J 153.7(19) . . ?
O8 Ag0I Ag0J 90.7(5) . . ?
S00P Ag0I Ag02 48.56(10) . . ?
S00T Ag0I Ag02 154.29(13) . . ?
O49A Ag0I Ag02 54.9(19) . . ?
O8 Ag0I Ag02 63.7(5) . . ?
Ag0J Ag0I Ag02 141.40(6) . . ?
S00P Ag0I Ag09 156.23(12) . . ?
S00T Ag0I Ag09 46.49(11) . . ?
O49A Ag0I Ag09 67.5(19) . . ?
O8 Ag0I Ag09 68.3(5) . . ?
Ag0J Ag0I Ag09 86.21(5) . . ?
Ag02 Ag0I Ag09 107.81(6) . . ?
O02T Ag0J S00R 116.0(4) . . ?
O02T Ag0J S00T 115.7(4) . . ?
S00R Ag0J S00T 121.15(15) . . ?
O02T Ag0J Ag07 80.7(4) . . ?
S00R Ag0J Ag07 111.32(11) . . ?
S00T Ag0J Ag07 53.47(10) . . ?
O02T Ag0J Ag0A 110.3(4) . . ?
S00R Ag0J Ag0A 50.56(10) . . ?
S00T Ag0J Ag0A 86.26(10) . . ?
Ag07 Ag0J Ag0A 61.00(5) . . ?
O02T Ag0J Ag0I 162.1(4) . . ?
S00R Ag0J Ag0I 81.61(11) . . ?
S00T Ag0J Ag0I 47.61(10) . . ?
Ag07 Ag0J Ag0I 90.26(6) . . ?
Ag0A Ag0J Ag0I 77.84(5) . . ?
O03E Ag0K O020 81.3(7) . . ?
O03E Ag0K S00R 120.5(6) . . ?
O020 Ag0K S00R 110.0(4) . . ?
O03E Ag0K S00P 106.8(5) . . ?
O020 Ag0K S00P 121.6(5) . . ?
S00R Ag0K S00P 113.47(14) . . ?
O03E Ag0K Ag0B 124.4(6) . . ?
O020 Ag0K Ag0B 73.8(5) . . ?
S00R Ag0K Ag0B 114.60(12) . . ?
S00P Ag0K Ag0B 53.60(10) . . ?
O03E Ag0K Ag0H 169.7(5) . . ?
O020 Ag0K Ag0H 96.0(5) . . ?
S00R Ag0K Ag0H 51.04(11) . . ?
S00P Ag0K Ag0H 83.08(10) . . ?
Ag0B Ag0K Ag0H 63.57(5) . . ?
C017 S00L Ag06 115.6(6) . . ?
C017 S00L Ag0A 114.0(5) . . ?
Ag06 S00L Ag0A 88.36(13) . . ?
C017 S00L Ag07 114.7(6) . . ?
Ag06 S00L Ag07 129.14(16) . . ?
Ag0A S00L Ag07 77.68(12) . . ?
C017 S00L Ag03 111.7(5) . . ?
Ag06 S00L Ag03 75.38(12) . . ?
Ag0A S00L Ag03 134.16(16) . . ?
Ag07 S00L Ag03 80.28(12) . . ?
C019 S00M Ag02 114.4(5) . . ?
C019 S00M Ag0D 115.4(5) . . ?
Ag02 S00M Ag0D 88.07(14) . . ?
C019 S00M Ag01 113.4(5) . . ?
Ag02 S00M Ag01 77.25(12) . . ?
Ag0D S00M Ag01 130.91(17) . . ?
C019 S00M Ag08 111.8(5) . . ?
Ag02 S00M Ag08 133.69(17) . . ?
Ag0D S00M Ag08 75.78(12) . . ?
Ag01 S00M Ag08 81.41(13) . . ?
C01M S00N Ag05 117.6(6) . . ?
C01M S00N Ag09 115.5(6) . . ?
Ag05 S00N Ag09 85.11(14) . . ?
C01M S00N Ag03 114.8(6) . . ?
Ag05 S00N Ag03 127.29(17) . . ?
Ag09 S00N Ag03 77.65(13) . . ?
C01M S00N Ag0E 113.6(6) . . ?
Ag05 S00N Ag0E 76.96(13) . . ?
Ag09 S00N Ag0E 130.70(17) . . ?
Ag03 S00N Ag0E 77.81(13) . . ?
C01U S00O Ag04 119.6(6) . . ?
C01U S00O Ag0F 119.4(6) . . ?
Ag04 S00O Ag0F 86.53(13) . . ?
C01U S00O Ag08 112.0(6) . . ?
Ag04 S00O Ag08 80.53(12) . . ?
Ag0F S00O Ag08 126.49(16) . . ?
C01U S00O Ag0C 111.2(6) . . ?
Ag04 S00O Ag0C 128.20(16) . . ?
Ag0F S00O Ag0C 76.68(12) . . ?
Ag08 S00O Ag0C 71.90(12) . . ?
C016 S00P Ag0I 114.3(6) . . ?
C016 S00P Ag02 116.4(6) . . ?
Ag0I S00P Ag02 84.57(13) . . ?
C016 S00P Ag0K 111.5(6) . . ?
Ag0I S00P Ag0K 90.38(15) . . ?
Ag02 S00P Ag0K 129.43(16) . . ?
C016 S00P Ag0B 112.2(6) . . ?
Ag0I S00P Ag0B 133.46(17) . . ?
Ag02 S00P Ag0B 73.97(12) . . ?
Ag0K S00P Ag0B 73.80(12) . . ?
C01K S00Q Ag06 118.7(7) . . ?
C01K S00Q Ag0F 117.1(6) . . ?
Ag06 S00Q Ag0F 87.32(15) . . ?
C01K S00Q Ag0G 113.8(7) . . ?
Ag06 S00Q Ag0G 126.42(17) . . ?
Ag0F S00Q Ag0G 78.17(13) . . ?
C01K S00Q Ag0E 111.1(6) . . ?
Ag06 S00Q Ag0E 79.37(13) . . ?
Ag0F S00Q Ag0E 130.40(17) . . ?
Ag0G S00Q Ag0E 72.54(13) . . ?
C02A S00R Ag0H 113.7(7) . . ?
C02A S00R Ag0J 114.8(7) . . ?
Ag0H S00R Ag0J 131.17(18) . . ?
C02A S00R Ag0A 112.2(6) . . ?
Ag0H S00R Ag0A 77.18(13) . . ?
Ag0J S00R Ag0A 79.44(13) . . ?
C02A S00R Ag0K 109.2(6) . . ?
Ag0H S00R Ag0K 76.37(14) . . ?
Ag0J S00R Ag0K 93.41(16) . . ?
Ag0A S00R Ag0K 137.03(18) . . ?
C01Q S00S Ag04 114.3(6) . . ?
C01Q S00S Ag0H 116.1(6) . . ?
Ag04 S00S Ag0H 88.39(15) . . ?
C01Q S00S Ag01 114.5(6) . . ?
Ag04 S00S Ag01 73.43(12) . . ?
Ag0H S00S Ag01 129.30(17) . . ?
C01Q S00S Ag0B 117.4(6) . . ?
Ag04 S00S Ag0B 126.83(17) . . ?
Ag0H S00S Ag0B 80.10(13) . . ?
Ag01 S00S Ag0B 74.83(13) . . ?
C02U S00T Ag0I 117.6(6) . . ?
C02U S00T Ag09 116.4(8) . . ?
Ag0I S00T Ag09 88.17(15) . . ?
C02U S00T Ag07 115.8(6) . . ?
Ag0I S00T Ag07 125.93(17) . . ?
Ag09 S00T Ag07 75.42(13) . . ?
C02U S00T Ag0J 113.6(8) . . ?
Ag0I S00T Ag0J 80.59(15) . . ?
Ag09 S00T Ag0J 128.09(17) . . ?
Ag07 S00T Ag0J 71.35(13) . . ?
C02J S00U Ag0D 117.0(8) . . ?
C02J S00U Ag05 113.3(8) . . ?
Ag0D S00U Ag05 81.97(16) . . ?
C02J S00U Ag0G 111.8(8) . . ?
Ag0D S00U Ag0G 131.19(19) . . ?
Ag05 S00U Ag0G 76.93(14) . . ?
C02J S00U Ag0C 115.4(8) . . ?
Ag0D S00U Ag0C 81.92(14) . . ?
Ag05 S00U Ag0C 130.92(19) . . ?
Ag0G S00U Ag0C 79.78(15) . . ?
C025 O00V Ag08 145.1(13) . . ?
C025 O00V Ag01 114.1(13) . . ?
Ag08 O00V Ag01 79.1(3) . . ?
C01R O00W Ag03 116.8(11) . . ?
C02Q O00X Ag0G 118.9(14) . . ?
C01L O00Y Ag0B 116.9(11) . . ?
C01L O010 Ag01 110.5(12) . . ?
C035 O011 Ag08 124.2(14) . . ?
C02R O012 Ag07 114.5(12) . . ?
C02R O012 Ag03 161.2(12) . . ?
Ag07 O012 Ag03 80.6(4) . . ?
C02H C016 C03A 115(2) . . ?
C02H C016 C01Z 108.3(18) . . ?
C03A C016 C01Z 108.3(19) . . ?
C02H C016 S00P 109.3(13) . . ?
C03A C016 S00P 107.6(13) . . ?
C01Z C016 S00P 108.0(12) . . ?
C02V C017 C02L 110.4(18) . . ?
C02V C017 C03L 115(2) . . ?
C02L C017 C03L 111.5(18) . . ?
C02V C017 S00L 106.0(12) . . ?
C02L C017 S00L 107.2(11) . . ?
C03L C017 S00L 106.6(13) . . ?
C02Q O018 Ag0E 128.8(15) . . ?
C01O C019 C01W 113.9(15) . . ?
C01O C019 C01I 111.1(13) . . ?
C01W C019 C01I 109.3(14) . . ?
C01O C019 S00M 106.7(11) . . ?
C01W C019 S00M 107.5(11) . . ?
C01I C019 S00M 108.1(11) . . ?
C035 O01B Ag0C 123.7(15) . . ?
C03Q O01D Ag07 122.3(16) . . ?
C028 O01E Ag0B 120.9(15) . . ?
C019 C01I H01A 109.5 . . ?
C019 C01I H01B 109.5 . . ?
H01A C01I H01B 109.5 . . ?
C019 C01I H01C 109.5 . . ?
H01A C01I H01C 109.5 . . ?
H01B C01I H01C 109.5 . . ?
C033 C01K C02Z 109(2) . . ?
C033 C01K C02I 110(2) . . ?
C02Z C01K C02I 116(2) . . ?
C033 C01K S00Q 108.7(15) . . ?
C02Z C01K S00Q 106.9(15) . . ?
C02I C01K S00Q 106.1(13) . . ?
O010 C01L O00Y 128.2(18) . . ?
O010 C01L C024 114.8(16) . . ?
O00Y C01L C024 116.5(18) . . ?
C83A C01M C43A 110.0(17) . . ?
C86 C01M C83 108.0(18) . . ?
C86 C01M C43 107.4(17) . . ?
C83 C01M C43 106.1(18) . . ?
C83A C01M C86A 106.2(16) . . ?
C43A C01M C86A 106.7(17) . . ?
C83A C01M S00N 112.3(17) . . ?
C86 C01M S00N 111.2(16) . . ?
C43A C01M S00N 113(2) . . ?
C83 C01M S00N 115(3) . . ?
C43 C01M S00N 109(2) . . ?
C86A C01M S00N 108.7(19) . . ?
C019 C01O H01D 109.5 . . ?
C019 C01O H01E 109.4 . . ?
H01D C01O H01E 109.5 . . ?
C019 C01O H01F 109.5 . . ?
H01D C01O H01F 109.5 . . ?
H01E C01O H01F 109.5 . . ?
C03U C01Q C03F 107(2) . . ?
C03U C01Q C28 105(2) . . ?
C03F C01Q C28 106(2) . . ?
C03G C01Q C2 90(4) . . ?
C03G C01Q C28A 111(3) . . ?
C2 C01Q C28A 105(3) . . ?
C03U C01Q S00S 112.6(15) . . ?
C03F C01Q S00S 110.7(16) . . ?
C03G C01Q S00S 116(2) . . ?
C28 C01Q S00S 114.7(18) . . ?
C2 C01Q S00S 113(3) . . ?
C28A C01Q S00S 118(2) . . ?
O02E C01R O00W 127.2(16) . . ?
O02E C01R C023 115.0(17) . . ?
O00W C01R C023 117.6(16) . . ?
C02R N01S C026 121.2(17) . . ?
C02R N01S C02B 117.8(17) . . ?
C026 N01S C02B 120.8(16) . . ?
C03M C01U C040 111(2) . . ?
C03M C01U C03I 110(2) . . ?
C040 C01U C03I 108(2) . . ?
C03M C01U S00O 110.6(15) . . ?
C040 C01U S00O 110.8(15) . . ?
C03I C01U S00O 106.8(13) . . ?
C025 N01V C03N 129(2) . . ?
C025 N01V C034 115.2(17) . . ?
C03N N01V C034 116.1(19) . . ?
C019 C01W H01G 109.5 . . ?
C019 C01W H01H 109.4 . . ?
H01G C01W H01H 109.5 . . ?
C019 C01W H01I 109.5 . . ?
H01G C01W H01I 109.5 . . ?
H01H C01W H01I 109.5 . . ?
C02Y N01X C03C 120(3) . . ?
C02Y N01X C03S 122(2) . . ?
C03C N01X C03S 119(2) . . ?
C016 C01Z H01J 109.4 . . ?
C016 C01Z H01K 109.5 . . ?
H01J C01Z H01K 109.5 . . ?
C016 C01Z H01L 109.5 . . ?
H01J C01Z H01L 109.5 . . ?
H01K C01Z H01L 109.5 . . ?
C028 O020 Ag0K 122.6(15) . . ?
F02H C023 F1 106.6(16) . . ?
F110 C023 F01A 109.0(15) . . ?
F02H C023 F01B 99.1(16) . . ?
F1 C023 F01B 97.7(16) . . ?
F02H C023 C01R 121.4(18) . . ?
F110 C023 C01R 117.0(17) . . ?
F1 C023 C01R 117.8(17) . . ?
F01A C023 C01R 118.8(16) . . ?
F01B C023 C01R 110(2) . . ?
F110 C023 F02G 100.5(15) . . ?
F01A C023 F02G 93.8(14) . . ?
C01R C023 F02G 114.0(18) . . ?
F015 C024 F013 108.1(17) . . ?
F015 C024 F014 103.1(18) . . ?
F013 C024 F014 106(2) . . ?
F015 C024 C01L 114.7(19) . . ?
F013 C024 C01L 111.7(19) . . ?
F014 C024 C01L 112.9(16) . . ?
O00V C025 N01V 133(2) . . ?
O00V C025 H025 113.6 . . ?
N01V C025 H025 113.7 . . ?
N01S C026 H02A 109.5 . . ?
N01S C026 H02B 109.5 . . ?
H02A C026 H02B 109.5 . . ?
N01S C026 H02C 109.4 . . ?
H02A C026 H02C 109.5 . . ?
H02B C026 H02C 109.5 . . ?
C031 O027 Ag0A 110.8(14) . . ?
O01E C028 O020 129(2) . . ?
O01E C028 C26 121(2) . . ?
O020 C028 C26 110(2) . . ?
C03O C02A C042 110(2) . . ?
C03O C02A C02P 109(2) . . ?
C042 C02A C02P 114(2) . . ?
C03O C02A S00R 109.8(15) . . ?
C042 C02A S00R 105.8(14) . . ?
C02P C02A S00R 107.7(13) . . ?
N01S C02B H02D 109.4 . . ?
N01S C02B H02E 109.5 . . ?
H02D C02B H02E 109.5 . . ?
N01S C02B H02F 109.5 . . ?
H02D C02B H02F 109.5 . . ?
H02E C02B H02F 109.5 . . ?
C01R O02E Ag0E 133.6(12) . . ?
C016 C02H H02G 109.5 . . ?
C016 C02H H02H 109.5 . . ?
H02G C02H H02H 109.5 . . ?
C016 C02H H02I 109.4 . . ?
H02G C02H H02I 109.5 . . ?
H02H C02H H02I 109.5 . . ?
C01K C02I H02J 109.4 . . ?
C01K C02I H02K 109.5 . . ?
H02J C02I H02K 109.5 . . ?
C01K C02I H02L 109.5 . . ?
H02J C02I H02L 109.5 . . ?
H02K C02I H02L 109.5 . . ?
C03K C02J C02S 124(2) . . ?
C03K C02J C044 104(2) . . ?
C02S C02J C044 97(2) . . ?
C03K C02J S00U 113.0(17) . . ?
C02S C02J S00U 110.0(15) . . ?
C044 C02J S00U 106.3(17) . . ?
C017 C02L H02M 109.5 . . ?
C017 C02L H02N 109.4 . . ?
H02M C02L H02N 109.5 . . ?
C017 C02L H02O 109.4 . . ?
H02M C02L H02O 109.5 . . ?
H02N C02L H02O 109.5 . . ?
F01N C02M F01J 110(3) . . ?
F01N C02M F01P 105(3) . . ?
F01J C02M F01P 105(2) . . ?
F01N C02M C02Q 114(2) . . ?
F01J C02M C02Q 113(2) . . ?
F01P C02M C02Q 109(2) . . ?
C02A C02P H02P 109.5 . . ?
C02A C02P H02Q 109.5 . . ?
H02P C02P H02Q 109.5 . . ?
C02A C02P H02R 109.4 . . ?
H02P C02P H02R 109.5 . . ?
H02Q C02P H02R 109.5 . . ?
O018 C02Q O00X 128(2) . . ?
O018 C02Q C02M 117(2) . . ?
O00X C02Q C02M 114(2) . . ?
O012 C02R N01S 124.0(19) . . ?
O012 C02R H02S 118.0 . . ?
N01S C02R H02S 118.0 . . ?
C02J C02S H02T 109.5 . . ?
C02J C02S H02U 109.3 . . ?
H02T C02S H02U 109.5 . . ?
C02J C02S H02V 109.6 . . ?
H02T C02S H02V 109.5 . . ?
H02U C02S H02V 109.5 . . ?
C03Q O02T Ag0J 119.1(15) . . ?
C32 C02U C22 121(3) . . ?
C32 C02U C03V 101(3) . . ?
C22 C02U C03V 106(3) . . ?
C32 C02U S00T 109.8(16) . . ?
C22 C02U S00T 110.0(18) . . ?
C03V C02U S00T 107.7(16) . . ?
C017 C02V H02W 109.3 . . ?
C017 C02V H02X 109.5 . . ?
H02W C02V H02X 109.5 . . ?
C017 C02V H02Y 109.6 . . ?
H02W C02V H02Y 109.5 . . ?
H02X C02V H02Y 109.5 . . ?
F01Y C02W F01H 107(3) . . ?
F01Y C02W F02F 108(2) . . ?
F01H C02W F02F 103(2) . . ?
F01Y C02W C031 115(2) . . ?
F01H C02W C031 113(2) . . ?
F02F C02W C031 109(2) . . ?
O029 C02Y N01X 128(3) . . ?
O029 C02Y H02 115.8 . . ?
N01X C02Y H02 115.8 . . ?
C01K C02Z H02Z 109.5 . . ?
C01K C02Z HA 109.4 . . ?
H02Z C02Z HA 109.5 . . ?
C01K C02Z HB 109.5 . . ?
H02Z C02Z HB 109.5 . . ?
HA C02Z HB 109.5 . . ?
O02N C031 O027 127(2) . . ?
O02N C031 C02W 116(2) . . ?
O027 C031 C02W 116(2) . . ?
C01K C033 H03A 109.5 . . ?
C01K C033 H03B 109.4 . . ?
H03A C033 H03B 109.5 . . ?
C01K C033 H03C 109.5 . . ?
H03A C033 H03C 109.5 . . ?
H03B C033 H03C 109.5 . . ?
N01V C034 H03D 109.4 . . ?
N01V C034 H03E 109.5 . . ?
H03D C034 H03E 109.5 . . ?
N01V C034 H03F 109.5 . . ?
H03D C034 H03F 109.5 . . ?
H03E C034 H03F 109.5 . . ?
O01B C035 O011 131(2) . . ?
O01B C035 C03T 119(2) . . ?
O011 C035 C03T 110(2) . . ?
C N039 C21 124(3) . . ?
C N039 C37 124(3) . . ?
C21 N039 C37 112(2) . . ?
C016 C03A H03G 109.5 . . ?
C016 C03A H03H 109.4 . . ?
H03G C03A H03H 109.5 . . ?
C016 C03A H03I 109.4 . . ?
H03G C03A H03I 109.5 . . ?
H03H C03A H03I 109.5 . . ?
N01X C03C H3 109.3 . . ?
N01X C03C HC 109.7 . . ?
H3 C03C HC 109.5 . . ?
N01X C03C HD 109.5 . . ?
H3 C03C HD 109.5 . . ?
HC C03C HD 109.5 . . ?
C O03E Ag0K 122(2) . . ?
C01Q C03F H03J 109.4 . . ?
C01Q C03F H03K 109.8 . . ?
H03J C03F H03K 109.5 . . ?
C01Q C03F H03L 109.3 . . ?
H03J C03F H03L 109.5 . . ?
H03K C03F H03L 109.5 . . ?
O03E C N039 121(3) . . ?
O03E C H 119.6 . . ?
N039 C H 119.4 . . ?
C01U C03I H03M 109.5 . . ?
C01U C03I H03N 109.4 . . ?
H03M C03I H03N 109.5 . . ?
C01U C03I H03O 109.6 . . ?
H03M C03I H03O 109.5 . . ?
H03N C03I H03O 109.5 . . ?
C02J C03K H03P 109.4 . . ?
C02J C03K H03Q 109.4 . . ?
H03P C03K H03Q 109.5 . . ?
C02J C03K H03R 109.6 . . ?
H03P C03K H03R 109.5 . . ?
H03Q C03K H03R 109.5 . . ?
C017 C03L H03S 109.5 . . ?
C017 C03L H03T 109.4 . . ?
H03S C03L H03T 109.5 . . ?
C017 C03L H03U 109.4 . . ?
H03S C03L H03U 109.5 . . ?
H03T C03L H03U 109.5 . . ?
C01U C03M H03V 109.5 . . ?
C01U C03M H03W 109.6 . . ?
H03V C03M H03W 109.5 . . ?
C01U C03M H03X 109.3 . . ?
H03V C03M H03X 109.5 . . ?
H03W C03M H03X 109.5 . . ?
N01V C03N H03Y 109.6 . . ?
N01V C03N HE 109.3 . . ?
H03Y C03N HE 109.5 . . ?
N01V C03N HF 109.4 . . ?
H03Y C03N HF 109.5 . . ?
HE C03N HF 109.5 . . ?
C02A C03O H03Z 109.3 . . ?
C02A C03O HG 109.6 . . ?
H03Z C03O HG 109.5 . . ?
C02A C03O HH 109.5 . . ?
H03Z C03O HH 109.5 . . ?
HG C03O HH 109.5 . . ?
O01D C03Q O02T 136(2) . . ?
O01D C03Q C1 113(2) . . ?
O02T C03Q C1 111(2) . . ?
N01X C03S H4 109.5 . . ?
N01X C03S HI 109.6 . . ?
H4 C03S HI 109.5 . . ?
N01X C03S HJ 109.4 . . ?
H4 C03S HJ 109.5 . . ?
HI C03S HJ 109.5 . . ?
F02D C03T F022 106(3) . . ?
F02D C03T F03B 105(3) . . ?
F022 C03T F03B 105(3) . . ?
F02D C03T C035 117(3) . . ?
F022 C03T C035 113(2) . . ?
F03B C03T C035 109(3) . . ?
C01Q C03U H03 109.3 . . ?
C01Q C03U HK 109.4 . . ?
H03 C03U HK 109.5 . . ?
C01Q C03U HL 109.8 . . ?
H03 C03U HL 109.5 . . ?
HK C03U HL 109.5 . . ?
C02U C03V H1 109.6 . . ?
C02U C03V HM 109.4 . . ?
H1 C03V HM 109.5 . . ?
C02U C03V HN 109.4 . . ?
H1 C03V HN 109.5 . . ?
HM C03V HN 109.5 . . ?
C01U C040 H04A 109.3 . . ?
C01U C040 H04B 109.5 . . ?
H04A C040 H04B 109.5 . . ?
C01U C040 H04C 109.6 . . ?
H04A C040 H04C 109.5 . . ?
H04B C040 H04C 109.5 . . ?
C02A C042 H04D 109.6 . . ?
C02A C042 H04E 109.6 . . ?
H04D C042 H04E 109.5 . . ?
C02A C042 H04F 109.2 . . ?
H04D C042 H04F 109.5 . . ?
H04E C042 H04F 109.5 . . ?
C02J C044 H04G 109.4 . . ?
C02J C044 H04H 109.5 . . ?
H04G C044 H04H 109.5 . . ?
C02J C044 H04I 109.4 . . ?
H04G C044 H04I 109.5 . . ?
H04H C044 H04I 109.5 . . ?
N039 C21 H21A 109.5 . . ?
N039 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N039 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C02U C22 H22A 110.0 . . ?
C02U C22 H22B 109.3 . . ?
H22A C22 H22B 109.4 . . ?
C02U C22 H22C 109.4 . . ?
H22A C22 H22C 109.4 . . ?
H22B C22 H22C 109.4 . . ?
C02U C32 H32A 109.2 . . ?
C02U C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C02U C32 H32C 109.7 . . ?
H32A C32 H32C 109.4 . . ?
H32B C32 H32C 109.5 . . ?
N039 C37 H37A 109.1 . . ?
N039 C37 H37B 109.4 . . ?
H37A C37 H37B 109.5 . . ?
N039 C37 H37C 110.0 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F03R C26 F01C 100.8(16) . . ?
F03R C26 F030 101(2) . . ?
F01C C26 F030 100.8(18) . . ?
F03R C26 C028 115.9(18) . . ?
F01C C26 C028 116(2) . . ?
F030 C26 C028 119(2) . . ?
C01M C43 H43A 109.1 . . ?
C01M C43 H43B 109.8 . . ?
H43A C43 H43B 109.5 . . ?
C01M C43 H43C 109.6 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C01M C83 H83A 109.9 . . ?
C01M C83 H83B 108.8 . . ?
H83A C83 H83B 109.5 . . ?
C01M C83 H83C 109.7 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.4 . . ?
C01M C86 H86A 109.5 . . ?
C01M C86 H86B 109.8 . . ?
H86A C86 H86B 109.5 . . ?
C01M C86 H86C 109.1 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C01Q C28 H28A 109.5 . . ?
C01Q C28 H28B 109.6 . . ?
H28A C28 H28B 109.5 . . ?
C01Q C28 H28C 109.3 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O41 C24 O68 102(4) . . ?
O41 C24 O22 76(3) . . ?
O68 C24 O22 90(4) . . ?
O41 C24 O49A 83(4) . . ?
O68 C24 O49A 49(4) . . ?
O22 C24 O49A 128(4) . . ?
O41 C24 C107 127(3) . . ?
O68 C24 C107 130(3) . . ?
O22 C24 C107 111(3) . . ?
O49A C24 C107 120(4) . . ?
F22 C107 F23 106.2(19) . . ?
F23A C107 F35A 103.1(19) . . ?
F22 C107 F35 104.9(18) . . ?
F23 C107 F35 103.6(18) . . ?
F23A C107 F22A 102(2) . . ?
F35A C107 F22A 100(2) . . ?
F22 C107 C24 118(2) . . ?
F23 C107 C24 110(2) . . ?
F23A C107 C24 122(2) . . ?
F35A C107 C24 117(2) . . ?
F35 C107 C24 113(2) . . ?
F22A C107 C24 111(3) . . ?
F032 C1 F038 101.7(17) . . ?
F3 C1 F0 102(2) . . ?
F032 C1 F037 98.8(17) . . ?
F038 C1 F037 101.9(17) . . ?
F3 C1 F2 100.4(19) . . ?
F0 C1 F2 99(2) . . ?
F032 C1 C03Q 124(2) . . ?
F3 C1 C03Q 122(2) . . ?
F038 C1 C03Q 112(2) . . ?
F0 C1 C03Q 119(3) . . ?
F037 C1 C03Q 115(2) . . ?
F2 C1 C03Q 110(2) . . ?
C9 O8 Ag0I 128.0(15) . . ?
C9 O8 Ag0H 121.9(15) . . ?
Ag0I O8 Ag0H 104.0(8) . . ?
O65 C9 O8 127(2) . . ?
O65 C9 O2 121.6(18) . . ?
O8 C9 O2 111.3(17) . . ?
C9 O65 Ag04 124.6(16) . . ?
C9 O65 Ag0D 126.0(16) . . ?
Ag04 O65 Ag0D 108.2(9) . . ?
C9 O2 Ag09 123.8(13) . . ?
C9 O2 Ag06 119.8(12) . . ?
Ag09 O2 Ag06 102.6(7) . . ?
C9 O2 Ag05 119.9(13) . . ?
Ag09 O2 Ag05 82.6(5) . . ?
Ag06 O2 Ag05 100.5(6) . . ?
C01M C86A H86D 109.5 . . ?
C01M C86A H86E 109.5 . . ?
H86D C86A H86E 109.5 . . ?
C01M C86A H86F 109.4 . . ?
H86D C86A H86F 109.5 . . ?
H86E C86A H86F 109.5 . . ?
C01M C83A H83D 108.5 . . ?
C01M C83A H83E 110.2 . . ?
H83D C83A H83E 109.4 . . ?
C01M C83A H83F 109.7 . . ?
H83D C83A H83F 109.5 . . ?
H83E C83A H83F 109.5 . . ?
C01M C43A H43D 110.7 . . ?
C01M C43A H43E 108.6 . . ?
H43D C43A H43E 109.5 . . ?
C01M C43A H43F 109.1 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C01Q C28A H28D 109.8 . . ?
C01Q C28A H28E 109.3 . . ?
H28D C28A H28E 109.4 . . ?
C01Q C28A H28F 109.5 . . ?
H28D C28A H28F 109.4 . . ?
H28E C28A H28F 109.4 . . ?
C01Q C2 H2A 110.1 . . ?
C01Q C2 H2B 108.7 . . ?
H2A C2 H2B 109.4 . . ?
C01Q C2 H2C 109.8 . . ?
H2A C2 H2C 109.4 . . ?
H2B C2 H2C 109.5 . . ?
C01Q C03G H2 109.5 . . ?
C01Q C03G HO 109.4 . . ?
H2 C03G HO 109.5 . . ?
C01Q C03G HP 109.6 . . ?
H2 C03G HP 109.5 . . ?
HO C03G HP 109.5 . . ?
O68 O49A C24 51(3) . . ?
O68 O49A O41 71(4) . . ?
C24 O49A O41 37.0(18) . . ?
O68 O49A Ag0I 151(6) . . ?
C24 O49A Ag0I 157(5) . . ?
O41 O49A Ag0I 126(5) . . ?
C24 O41 O22 63(3) . . ?
C24 O41 O49A 60(3) . . ?
O22 O41 O49A 107(4) . . ?
C24 O41 O68 42(3) . . ?
O22 O41 O68 68(3) . . ?
O49A O41 O68 39(3) . . ?
O49A O68 C24 80(4) . . ?
O49A O68 O41 70(5) . . ?
C24 O68 O41 36(2) . . ?
O49A O68 O22 120(6) . . ?
C24 O68 O22 50(3) . . ?
O41 O68 O22 50(3) . . ?
C24 O22 O41 42(2) . . ?
C24 O22 O68 40(2) . . ?
O41 O22 O68 62(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag0I S00P C016 C02H -152.2(14) . . . . ?
Ag02 S00P C016 C02H 111.6(15) . . . . ?
Ag0K S00P C016 C02H -51.5(16) . . . . ?
Ag0B S00P C016 C02H 29.1(17) . . . . ?
Ag0I S00P C016 C03A 82.2(17) . . . . ?
Ag02 S00P C016 C03A -14.0(18) . . . . ?
Ag0K S00P C016 C03A -177.1(15) . . . . ?
Ag0B S00P C016 C03A -96.5(17) . . . . ?
Ag0I S00P C016 C01Z -34.5(16) . . . . ?
Ag02 S00P C016 C01Z -130.7(13) . . . . ?
Ag0K S00P C016 C01Z 66.2(15) . . . . ?
Ag0B S00P C016 C01Z 146.8(13) . . . . ?
Ag06 S00L C017 C02V 97.5(16) . . . . ?
Ag0A S00L C017 C02V -162.2(14) . . . . ?
Ag07 S00L C017 C02V -75.1(16) . . . . ?
Ag03 S00L C017 C02V 13.9(17) . . . . ?
Ag06 S00L C017 C02L -20.4(15) . . . . ?
Ag0A S00L C017 C02L 80.0(14) . . . . ?
Ag07 S00L C017 C02L 167.0(12) . . . . ?
Ag03 S00L C017 C02L -104.0(13) . . . . ?
Ag06 S00L C017 C03L -139.9(15) . . . . ?
Ag0A S00L C017 C03L -39.6(17) . . . . ?
Ag07 S00L C017 C03L 47.4(17) . . . . ?
Ag03 S00L C017 C03L 136.4(15) . . . . ?
Ag02 S00M C019 C01O -3.8(13) . . . . ?
Ag0D S00M C019 C01O -103.8(11) . . . . ?
Ag01 S00M C019 C01O 82.3(12) . . . . ?
Ag08 S00M C019 C01O 172.1(10) . . . . ?
Ag02 S00M C019 C01W 118.8(11) . . . . ?
Ag0D S00M C019 C01W 18.8(14) . . . . ?
Ag01 S00M C019 C01W -155.1(11) . . . . ?
Ag08 S00M C019 C01W -65.3(13) . . . . ?
Ag02 S00M C019 C01I -123.3(10) . . . . ?
Ag0D S00M C019 C01I 136.7(9) . . . . ?
Ag01 S00M C019 C01I -37.2(12) . . . . ?
Ag08 S00M C019 C01I 52.7(11) . . . . ?
Ag06 S00Q C01K C033 -7(2) . . . . ?
Ag0F S00Q C01K C033 -110.2(17) . . . . ?
Ag0G S00Q C01K C033 161.3(17) . . . . ?
Ag0E S00Q C01K C033 81.7(19) . . . . ?
Ag06 S00Q C01K C02Z -125.5(15) . . . . ?
Ag0F S00Q C01K C02Z 131.8(15) . . . . ?
Ag0G S00Q C01K C02Z 43.3(17) . . . . ?
Ag0E S00Q C01K C02Z -36.3(17) . . . . ?
Ag06 S00Q C01K C02I 110.3(15) . . . . ?
Ag0F S00Q C01K C02I 7.6(18) . . . . ?
Ag0G S00Q C01K C02I -80.9(17) . . . . ?
Ag0E S00Q C01K C02I -160.5(14) . . . . ?
Ag01 O010 C01L O00Y 0(3) . . . . ?
Ag01 O010 C01L C024 -171.7(14) . . . . ?
Ag0B O00Y C01L O010 -54(3) . . . . ?
Ag0B O00Y C01L C024 117.5(16) . . . . ?
Ag05 S00N C01M C83A -23.1(17) . . . . ?
Ag09 S00N C01M C83A -121.2(15) . . . . ?
Ag03 S00N C01M C83A 151.1(15) . . . . ?
Ag0E S00N C01M C83A 64.1(16) . . . . ?
Ag05 S00N C01M C86 156.8(15) . . . . ?
Ag09 S00N C01M C86 58.6(16) . . . . ?
Ag03 S00N C01M C86 -29.1(17) . . . . ?
Ag0E S00N C01M C86 -116.1(15) . . . . ?
Ag05 S00N C01M C43A -147.9(17) . . . . ?
Ag09 S00N C01M C43A 114.0(18) . . . . ?
Ag03 S00N C01M C43A 26.3(18) . . . . ?
Ag0E S00N C01M C43A -60.7(18) . . . . ?
Ag05 S00N C01M C83 34(2) . . . . ?
Ag09 S00N C01M C83 -64(2) . . . . ?
Ag03 S00N C01M C83 -152(2) . . . . ?
Ag0E S00N C01M C83 121(2) . . . . ?
Ag05 S00N C01M C43 -85.0(18) . . . . ?
Ag09 S00N C01M C43 176.8(17) . . . . ?
Ag03 S00N C01M C43 89.1(18) . . . . ?
Ag0E S00N C01M C43 2.1(18) . . . . ?
Ag05 S00N C01M C86A 94.1(16) . . . . ?
Ag09 S00N C01M C86A -4.1(17) . . . . ?
Ag03 S00N C01M C86A -91.7(16) . . . . ?
Ag0E S00N C01M C86A -178.8(15) . . . . ?
Ag04 S00S C01Q C03U -68.7(18) . . . . ?
Ag0H S00S C01Q C03U -169.5(15) . . . . ?
Ag01 S00S C01Q C03U 13.4(18) . . . . ?
Ag0B S00S C01Q C03U 98.3(17) . . . . ?
Ag04 S00S C01Q C03F 171.8(16) . . . . ?
Ag0H S00S C01Q C03F 71.0(18) . . . . ?
Ag01 S00S C01Q C03F -106.2(17) . . . . ?
Ag0B S00S C01Q C03F -21.2(19) . . . . ?
Ag04 S00S C01Q C03G 129(2) . . . . ?
Ag0H S00S C01Q C03G 28(3) . . . . ?
Ag01 S00S C01Q C03G -149(2) . . . . ?
Ag0B S00S C01Q C03G -64(2) . . . . ?
Ag04 S00S C01Q C28 52(2) . . . . ?
Ag0H S00S C01Q C28 -49(2) . . . . ?
Ag01 S00S C01Q C28 133.8(18) . . . . ?
Ag0B S00S C01Q C28 -141.3(17) . . . . ?
Ag04 S00S C01Q C2 -129(4) . . . . ?
Ag0H S00S C01Q C2 130(3) . . . . ?
Ag01 S00S C01Q C2 -47(4) . . . . ?
Ag0B S00S C01Q C2 38(4) . . . . ?
Ag04 S00S C01Q C28A -6(3) . . . . ?
Ag0H S00S C01Q C28A -106(3) . . . . ?
Ag01 S00S C01Q C28A 76(3) . . . . ?
Ag0B S00S C01Q C28A 161(3) . . . . ?
Ag03 O00W C01R O02E 9(3) . . . . ?
Ag03 O00W C01R C023 -175.3(13) . . . . ?
Ag04 S00O C01U C03M 108.5(17) . . . . ?
Ag0F S00O C01U C03M -147.6(16) . . . . ?
Ag08 S00O C01U C03M 17.1(19) . . . . ?
Ag0C S00O C01U C03M -61.2(18) . . . . ?
Ag04 S00O C01U C040 -128.3(17) . . . . ?
Ag0F S00O C01U C040 -24(2) . . . . ?
Ag08 S00O C01U C040 140.2(17) . . . . ?
Ag0C S00O C01U C040 61.9(18) . . . . ?
Ag04 S00O C01U C03I -10.6(19) . . . . ?
Ag0F S00O C01U C03I 93.3(17) . . . . ?
Ag08 S00O C01U C03I -102.1(17) . . . . ?
Ag0C S00O C01U C03I 179.6(16) . . . . ?
O02E C01R C023 F02H 120(2) . . . . ?
O00W C01R C023 F02H -56(3) . . . . ?
O02E C01R C023 F110 -52(3) . . . . ?
O00W C01R C023 F110 132(2) . . . . ?
O02E C01R C023 F1 -14(3) . . . . ?
O00W C01R C023 F1 170(2) . . . . ?
O02E C01R C023 F01A 173(2) . . . . ?
O00W C01R C023 F01A -2(3) . . . . ?
O02E C01R C023 F01B -125(2) . . . . ?
O00W C01R C023 F01B 59(2) . . . . ?
O02E C01R C023 F02G 64(3) . . . . ?
O00W C01R C023 F02G -112(2) . . . . ?
O010 C01L C024 F015 77(2) . . . . ?
O00Y C01L C024 F015 -96(2) . . . . ?
O010 C01L C024 F013 -46(3) . . . . ?
O00Y C01L C024 F013 141.0(18) . . . . ?
O010 C01L C024 F014 -165(2) . . . . ?
O00Y C01L C024 F014 22(3) . . . . ?
Ag08 O00V C025 N01V 42(4) . . . . ?
Ag01 O00V C025 N01V 148(2) . . . . ?
C03N N01V C025 O00V -178(2) . . . . ?
C034 N01V C025 O00V -1(4) . . . . ?
Ag0B O01E C028 O020 13(4) . . . . ?
Ag0B O01E C028 C26 -171.3(16) . . . . ?
Ag0K O020 C028 O01E 22(4) . . . . ?
Ag0K O020 C028 C26 -154.7(15) . . . . ?
Ag0H S00R C02A C03O -8.0(18) . . . . ?
Ag0J S00R C02A C03O 178.4(15) . . . . ?
Ag0A S00R C02A C03O -93.3(16) . . . . ?
Ag0K S00R C02A C03O 75.1(17) . . . . ?
Ag0H S00R C02A C042 -127.3(17) . . . . ?
Ag0J S00R C02A C042 59.2(19) . . . . ?
Ag0A S00R C02A C042 147.5(17) . . . . ?
Ag0K S00R C02A C042 -44.1(19) . . . . ?
Ag0H S00R C02A C02P 110.8(16) . . . . ?
Ag0J S00R C02A C02P -62.7(17) . . . . ?
Ag0A S00R C02A C02P 25.6(18) . . . . ?
Ag0K S00R C02A C02P -166.0(15) . . . . ?
O00W C01R O02E Ag0E 24(4) . . . . ?
C023 C01R O02E Ag0E -151.2(17) . . . . ?
Ag0D S00U C02J C03K -22(3) . . . . ?
Ag05 S00U C02J C03K -114(2) . . . . ?
Ag0G S00U C02J C03K 161(2) . . . . ?
Ag0C S00U C02J C03K 72(3) . . . . ?
Ag0D S00U C02J C02S 121.2(17) . . . . ?
Ag05 S00U C02J C02S 28(2) . . . . ?
Ag0G S00U C02J C02S -56(2) . . . . ?
Ag0C S00U C02J C02S -145.0(17) . . . . ?
Ag0D S00U C02J C044 -135.4(16) . . . . ?
Ag05 S00U C02J C044 131.9(16) . . . . ?
Ag0G S00U C02J C044 47.2(18) . . . . ?
Ag0C S00U C02J C044 -41.5(19) . . . . ?
Ag0E O018 C02Q O00X 25(4) . . . . ?
Ag0E O018 C02Q C02M -165.8(17) . . . . ?
Ag0G O00X C02Q O018 -6(3) . . . . ?
Ag0G O00X C02Q C02M -175.5(15) . . . . ?
F01N C02M C02Q O018 -77(4) . . . . ?
F01J C02M C02Q O018 156(3) . . . . ?
F01P C02M C02Q O018 40(3) . . . . ?
F01N C02M C02Q O00X 93(3) . . . . ?
F01J C02M C02Q O00X -34(3) . . . . ?
F01P C02M C02Q O00X -150(2) . . . . ?
Ag07 O012 C02R N01S 163.7(17) . . . . ?
Ag03 O012 C02R N01S 22(6) . . . . ?
C026 N01S C02R O012 -4(3) . . . . ?
C02B N01S C02R O012 172.8(19) . . . . ?
Ag0I S00T C02U C32 162(3) . . . . ?
Ag09 S00T C02U C32 -96(3) . . . . ?
Ag07 S00T C02U C32 -10(3) . . . . ?
Ag0J S00T C02U C32 70(3) . . . . ?
Ag0I S00T C02U C22 26(3) . . . . ?
Ag09 S00T C02U C22 129(2) . . . . ?
Ag07 S00T C02U C22 -146(2) . . . . ?
Ag0J S00T C02U C22 -66(3) . . . . ?
Ag0I S00T C02U C03V -89(2) . . . . ?
Ag09 S00T C02U C03V 14(3) . . . . ?
Ag07 S00T C02U C03V 100(2) . . . . ?
Ag0J S00T C02U C03V 180(2) . . . . ?
C03C N01X C02Y O029 -2(5) . . . . ?
C03S N01X C02Y O029 176(3) . . . . ?
Ag0A O027 C031 O02N -10(3) . . . . ?
Ag0A O027 C031 C02W 158.1(17) . . . . ?
F01Y C02W C031 O02N -14(4) . . . . ?
F01H C02W C031 O02N 110(3) . . . . ?
F02F C02W C031 O02N -136(2) . . . . ?
F01Y C02W C031 O027 177(3) . . . . ?
F01H C02W C031 O027 -60(3) . . . . ?
F02F C02W C031 O027 55(3) . . . . ?
Ag0C O01B C035 O011 -10(4) . . . . ?
Ag0C O01B C035 C03T 165.0(18) . . . . ?
Ag08 O011 C035 O01B 4(4) . . . . ?
Ag08 O011 C035 C03T -171.5(16) . . . . ?
Ag0K O03E C N039 -157(2) . . . . ?
C21 N039 C O03E -177(3) . . . . ?
C37 N039 C O03E 5(5) . . . . ?
Ag07 O01D C03Q O02T 3(4) . . . . ?
Ag07 O01D C03Q C1 179.9(13) . . . . ?
Ag0J O02T C03Q O01D -5(4) . . . . ?
Ag0J O02T C03Q C1 177.8(12) . . . . ?
O01B C035 C03T F02D 146(3) . . . . ?
O011 C035 C03T F02D -38(4) . . . . ?
O01B C035 C03T F022 -90(3) . . . . ?
O011 C035 C03T F022 86(3) . . . . ?
O01B C035 C03T F03B 27(4) . . . . ?
O011 C035 C03T F03B -157(3) . . . . ?
O01E C028 C26 F03R 119(3) . . . . ?
O020 C028 C26 F03R -64(3) . . . . ?
O01E C028 C26 F01C 1(3) . . . . ?
O020 C028 C26 F01C 178(2) . . . . ?
O01E C028 C26 F030 -120(3) . . . . ?
O020 C028 C26 F030 56(3) . . . . ?
O41 C24 C107 F22 55(4) . . . . ?
O68 C24 C107 F22 -141(5) . . . . ?
O22 C24 C107 F22 -32(4) . . . . ?
O41 C24 C107 F23 -67(4) . . . . ?
O68 C24 C107 F23 97(5) . . . . ?
O22 C24 C107 F23 -154(3) . . . . ?
O41 C24 C107 F23A -109(4) . . . . ?
O68 C24 C107 F23A 55(5) . . . . ?
O22 C24 C107 F23A 163(3) . . . . ?
O49A C24 C107 F23A -4(5) . . . . ?
O41 C24 C107 F35A 123(4) . . . . ?
O68 C24 C107 F35A -72(5) . . . . ?
O22 C24 C107 F35A 36(4) . . . . ?
O49A C24 C107 F35A -131(5) . . . . ?
O41 C24 C107 F35 178(4) . . . . ?
O68 C24 C107 F35 -18(5) . . . . ?
O22 C24 C107 F35 91(3) . . . . ?
O41 C24 C107 F22A 10(5) . . . . ?
O68 C24 C107 F22A 175(5) . . . . ?
O22 C24 C107 F22A -77(4) . . . . ?
O49A C24 C107 F22A 115(5) . . . . ?
O01D C03Q C1 F032 179(2) . . . . ?
O02T C03Q C1 F032 -3(3) . . . . ?
O01D C03Q C1 F3 25(3) . . . . ?
O02T C03Q C1 F3 -157(2) . . . . ?
O01D C03Q C1 F038 55(3) . . . . ?
O02T C03Q C1 F038 -127(2) . . . . ?
O01D C03Q C1 F0 -105(3) . . . . ?
O02T C03Q C1 F0 73(3) . . . . ?
O01D C03Q C1 F037 -60(3) . . . . ?
O02T C03Q C1 F037 118(2) . . . . ?
O01D C03Q C1 F2 142(2) . . . . ?
O02T C03Q C1 F2 -40(3) . . . . ?
Ag0I O8 C9 O65 -100(2) . . . . ?
Ag0H O8 C9 O65 48(3) . . . . ?
Ag0I O8 C9 O2 73(2) . . . . ?
Ag0H O8 C9 O2 -138.6(14) . . . . ?
O8 C9 O65 Ag04 -53(3) . . . . ?
O2 C9 O65 Ag04 134.5(17) . . . . ?
O8 C9 O65 Ag0D 113(2) . . . . ?
O2 C9 O65 Ag0D -59(3) . . . . ?
O65 C9 O2 Ag09 134.9(17) . . . . ?
O8 C9 O2 Ag09 -39(2) . . . . ?
O65 C9 O2 Ag06 -92(2) . . . . ?
O8 C9 O2 Ag06 94.4(17) . . . . ?
O65 C9 O2 Ag05 33(2) . . . . ?
O8 C9 O2 Ag05 -140.7(15) . . . . ?
O41 C24 O49A O68 -113(6) . . . . ?
O22 C24 O49A O68 -47(8) . . . . ?
C107 C24 O49A O68 118(5) . . . . ?
O68 C24 O49A O41 113(6) . . . . ?
O22 C24 O49A O41 66(5) . . . . ?
C107 C24 O49A O41 -129(4) . . . . ?
O41 C24 O49A Ag0I 53(13) . . . . ?
O68 C24 O49A Ag0I 166(17) . . . . ?
O22 C24 O49A Ag0I 119(12) . . . . ?
C107 C24 O49A Ag0I -76(14) . . . . ?
O68 C24 O41 O22 87(4) . . . . ?
O49A C24 O41 O22 132(4) . . . . ?
C107 C24 O41 O22 -105(4) . . . . ?
O68 C24 O41 O49A -45(4) . . . . ?
O22 C24 O41 O49A -132(4) . . . . ?
C107 C24 O41 O49A 122(5) . . . . ?
O22 C24 O41 O68 -87(4) . . . . ?
O49A C24 O41 O68 45(4) . . . . ?
C107 C24 O41 O68 168(5) . . . . ?
O68 O49A O41 C24 49(5) . . . . ?
Ag0I O49A O41 C24 -157(6) . . . . ?
O68 O49A O41 O22 6(6) . . . . ?
C24 O49A O41 O22 -43(4) . . . . ?
Ag0I O49A O41 O22 160(5) . . . . ?
C24 O49A O41 O68 -49(5) . . . . ?
Ag0I O49A O41 O68 154(9) . . . . ?
O41 O49A O68 C24 -36(3) . . . . ?
Ag0I O49A O68 C24 -168(14) . . . . ?
C24 O49A O68 O41 36(3) . . . . ?
Ag0I O49A O68 O41 -133(15) . . . . ?
C24 O49A O68 O22 30(4) . . . . ?
O41 O49A O68 O22 -5(6) . . . . ?
Ag0I O49A O68 O22 -138(11) . . . . ?
O41 C24 O68 O49A 70(6) . . . . ?
O22 C24 O68 O49A 145(6) . . . . ?
C107 C24 O68 O49A -98(6) . . . . ?
O22 C24 O68 O41 75(3) . . . . ?
O49A C24 O68 O41 -70(6) . . . . ?
C107 C24 O68 O41 -167(5) . . . . ?
O41 C24 O68 O22 -75(3) . . . . ?
O49A C24 O68 O22 -145(6) . . . . ?
C107 C24 O68 O22 118(4) . . . . ?
C24 O41 O68 O49A -101(6) . . . . ?
O22 O41 O68 O49A -174(7) . . . . ?
O22 O41 O68 C24 -73(4) . . . . ?
O49A O41 O68 C24 101(6) . . . . ?
C24 O41 O68 O22 73(4) . . . . ?
O49A O41 O68 O22 174(7) . . . . ?
O68 C24 O22 O41 -102(4) . . . . ?
O49A C24 O22 O41 -69(5) . . . . ?
C107 C24 O22 O41 125(3) . . . . ?
O41 C24 O22 O68 102(4) . . . . ?
O49A C24 O22 O68 33(6) . . . . ?
C107 C24 O22 O68 -133(4) . . . . ?
O49A O41 O22 C24 42(4) . . . . ?
O68 O41 O22 C24 46(3) . . . . ?
C24 O41 O22 O68 -46(3) . . . . ?
O49A O41 O22 O68 -4(4) . . . . ?
O49A O68 O22 C24 -41(6) . . . . ?
O41 O68 O22 C24 -48(3) . . . . ?
O49A O68 O22 O41 7(7) . . . . ?
C24 O68 O22 O41 48(3) . . . . ?

_refine_diff_density_max         4.030
_refine_diff_density_min         -1.698
_refine_diff_density_rms         0.264



