# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_Ag3_1
_database_code_depnum_ccdc_archive 'CCDC 2058625'
_audit_update_record             
;
2021-03-23 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C81 H75 Ag3 P6, 2(C F3 O3 S)'
_chemical_formula_sum            'C83 H75 Ag3 F6 O6 P6 S2'
_chemical_formula_weight         1855.98

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

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

_cell_length_a                   19.9123(18)
_cell_length_b                   20.9620(18)
_cell_length_c                   19.6197(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8189.3(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9978
_cell_measurement_theta_min      2.2646
_cell_measurement_theta_max      23.8781

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_F_000             3752
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.943
_shelx_estimated_absorpt_T_min   0.871
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.6528
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58162
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.265
_diffrn_reflns_theta_max         24.043
_diffrn_reflns_theta_full        24.043
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6635
_reflns_number_gt                4692
_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 Instrument Service vV6.2.9'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'DIAMOND, Vers. 3.2h (Brandenburg, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0516P)²+24.4129P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6635
_refine_ls_number_parameters     562
_refine_ls_number_restraints     168
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1383
_refine_ls_wR_factor_gt          0.1225
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.77773(4) 0.7500 0.35703(3) 0.0569(2) Uani 1 2 d S T P . .
Ag2 Ag 0.74788(3) 0.67446(2) 0.49212(2) 0.05433(17) Uani 1 1 d . . . . .
C1 C 0.8272(5) 0.7500 0.4597(4) 0.057(2) Uani 1 2 d S T P A .
C2 C 0.8822(5) 0.7500 0.4865(5) 0.062(2) Uani 1 2 d S T P . .
C3 C 0.9489(7) 0.757(15) 0.5173(8) 0.08(3) Uani 0.5 1 d . . P A -1
C4 C 0.9481(15) 0.7062(14) 0.5788(12) 0.131(10) Uani 0.5 1 d . U P A -1
H4A H 0.9325 0.6657 0.5624 0.197 Uiso 0.5 1 calc R U P A -1
H4B H 0.9927 0.7016 0.5968 0.197 Uiso 0.5 1 calc R U P A -1
H4C H 0.9186 0.7211 0.6141 0.197 Uiso 0.5 1 calc R U P A -1
C5 C 0.9698(15) 0.8141(13) 0.5355(18) 0.165(16) Uani 0.5 1 d . U P A -1
H5A H 1.0140 0.8111 0.5547 0.247 Uiso 0.5 1 calc R U P A -1
H5B H 0.9710 0.8414 0.4961 0.247 Uiso 0.5 1 calc R U P A -1
H5C H 0.9395 0.8317 0.5686 0.247 Uiso 0.5 1 calc R U P A -1
C6 C 0.9964(9) 0.7184(12) 0.4669(12) 0.149(11) Uani 0.5 1 d . . P A -1
H6A H 0.9769 0.6776 0.4570 0.223 Uiso 0.5 1 calc R U P A -1
H6B H 1.0017 0.7421 0.4253 0.223 Uiso 0.5 1 calc R U P A -1
H6C H 1.0396 0.7124 0.4878 0.223 Uiso 0.5 1 calc R U P A -1
C7 C 0.7230(3) 0.6541(3) 0.20847(19) 0.081(2) Uani 1 1 d G U . . .
C8 C 0.7602(3) 0.6554(4) 0.1486(3) 0.134(3) Uani 1 1 d G U . . .
H8A H 0.8069 0.6538 0.1504 0.161 Uiso 1 1 calc R U . . .
C9 C 0.7278(4) 0.6592(4) 0.0860(2) 0.149(3) Uani 1 1 d G U . . .
H9A H 0.7527 0.6600 0.0459 0.179 Uiso 1 1 calc R U . . .
C10 C 0.6580(4) 0.6616(4) 0.0833(2) 0.140(3) Uani 1 1 d G U . . .
H10A H 0.6363 0.6640 0.0414 0.168 Uiso 1 1 calc R U . . .
C11 C 0.6208(3) 0.6602(4) 0.1432(3) 0.146(3) Uani 1 1 d G U . . .
H11A H 0.5742 0.6618 0.1414 0.175 Uiso 1 1 calc R U . . .
C12 C 0.6533(3) 0.6565(3) 0.2058(2) 0.123(3) Uani 1 1 d G U . . .
H12A H 0.6284 0.6556 0.2459 0.147 Uiso 1 1 calc R U . . .
C13 C 0.8434(4) 0.6111(4) 0.2677(3) 0.075(2) Uani 1 1 d . . . . .
C14 C 0.8475(5) 0.5495(4) 0.2430(5) 0.109(3) Uani 1 1 d . . . . .
H14 H 0.8086 0.5250 0.2412 0.131 Uiso 1 1 calc R U . . .
C15 C 0.9064(9) 0.5231(8) 0.2211(7) 0.162(6) Uani 1 1 d . U . . .
H15 H 0.9079 0.4815 0.2047 0.194 Uiso 1 1 calc R U . . .
C16 C 0.9622(9) 0.5592(11) 0.2239(9) 0.189(9) Uani 1 1 d . U . . .
H16 H 1.0027 0.5414 0.2100 0.226 Uiso 1 1 calc R U . . .
C17 C 0.9620(7) 0.6211(10) 0.2462(8) 0.190(7) Uani 1 1 d . . . . .
H17 H 1.0010 0.6455 0.2457 0.228 Uiso 1 1 calc R U . . .
C18 C 0.9010(6) 0.6466(6) 0.2698(6) 0.132(4) Uani 1 1 d . . . . .
H18 H 0.8998 0.6880 0.2870 0.158 Uiso 1 1 calc R U . . .
C19 C 0.8135(4) 0.5295(3) 0.4218(3) 0.0634(18) Uani 1 1 d . . . . .
C20 C 0.8130(5) 0.4646(4) 0.4070(4) 0.089(2) Uani 1 1 d . . . . .
H20 H 0.7724 0.4438 0.3994 0.106 Uiso 1 1 calc R U . . .
C21 C 0.8726(7) 0.4310(5) 0.4035(5) 0.117(3) Uani 1 1 d . . . . .
H21 H 0.8725 0.3877 0.3934 0.140 Uiso 1 1 calc R U . . .
C22 C 0.9321(7) 0.4626(6) 0.4151(6) 0.131(4) Uani 1 1 d . . . . .
H22 H 0.9722 0.4398 0.4136 0.158 Uiso 1 1 calc R U . . .
C23 C 0.9340(5) 0.5267(5) 0.4289(5) 0.121(3) Uani 1 1 d . . . . .
H23 H 0.9747 0.5476 0.4355 0.145 Uiso 1 1 calc R U . . .
C24 C 0.8732(5) 0.5599(4) 0.4329(4) 0.089(2) Uani 1 1 d . . . . .
H24 H 0.8735 0.6033 0.4431 0.106 Uiso 1 1 calc R U . . .
C25 C 0.6731(5) 0.5225(4) 0.4508(4) 0.082(2) Uani 1 1 d D U . . .
C26 C 0.6132(6) 0.5152(5) 0.4214(6) 0.131(3) Uani 1 1 d . U . . .
H26 H 0.6042 0.5394 0.3828 0.158 Uiso 1 1 calc R U . . .
C27 C 0.5633(7) 0.4739(6) 0.4442(6) 0.161(3) Uani 1 1 d . U . . .
H27 H 0.5227 0.4706 0.4212 0.193 Uiso 1 1 calc R U . . .
C28 C 0.5752(7) 0.4391(7) 0.5002(7) 0.159(4) Uani 1 1 d . U . . .
H28 H 0.5426 0.4109 0.5159 0.190 Uiso 1 1 calc R U . . .
C29 C 0.6290(7) 0.4439(6) 0.5312(6) 0.152(3) Uani 1 1 d . U . . .
H29 H 0.6353 0.4196 0.5703 0.182 Uiso 1 1 calc R U . . .
C30 C 0.6808(6) 0.4842(5) 0.5100(5) 0.134(3) Uani 1 1 d D U . . .
H30 H 0.7205 0.4860 0.5348 0.160 Uiso 1 1 calc R U . . .
C31 C 0.7158(3) 0.5884(3) 0.3342(3) 0.0581(16) Uani 1 1 d . . . . .
H31A H 0.6688 0.6001 0.3312 0.070 Uiso 1 1 calc R U . . .
H31B H 0.7214 0.5482 0.3105 0.070 Uiso 1 1 calc R U . . .
C32 C 0.7863(3) 0.6174(3) 0.6588(3) 0.0549(16) Uani 1 1 d . . . . .
C33 C 0.8036(5) 0.6194(4) 0.7275(4) 0.093(3) Uani 1 1 d . . . . .
H33 H 0.7856 0.6510 0.7554 0.112 Uiso 1 1 calc R U . . .
C34 C 0.8466(6) 0.5755(5) 0.7541(6) 0.120(4) Uani 1 1 d . U . . .
H34 H 0.8583 0.5772 0.8000 0.144 Uiso 1 1 calc R U . . .
C35 C 0.8726(5) 0.5284(6) 0.7129(7) 0.134(4) Uani 1 1 d . . . . .
H35 H 0.9031 0.4991 0.7304 0.161 Uiso 1 1 calc R U . . .
C36 C 0.8540(7) 0.5250(6) 0.6474(6) 0.160(6) Uani 1 1 d . . . . .
H36 H 0.8699 0.4920 0.6201 0.192 Uiso 1 1 calc R U . . .
C37 C 0.8122(5) 0.5694(4) 0.6208(4) 0.115(3) Uani 1 1 d . U . . .
H37 H 0.8008 0.5668 0.5749 0.138 Uiso 1 1 calc R U . . .
C38 C 0.6492(3) 0.6654(3) 0.6497(3) 0.0565(16) Uani 1 1 d D . . . .
C39 C 0.5966(4) 0.6620(5) 0.6071(4) 0.107(3) Uani 1 1 d . . . . .
H39 H 0.6046 0.6622 0.5604 0.128 Uiso 1 1 calc R U . . .
C40 C 0.5321(6) 0.6584(6) 0.6294(7) 0.145(5) Uani 1 1 d . . . . .
H40 H 0.4975 0.6577 0.5976 0.174 Uiso 1 1 calc R U . . .
C41 C 0.5171(5) 0.6558(5) 0.6948(7) 0.116(4) Uani 1 1 d . . . . .
H41 H 0.4728 0.6511 0.7091 0.140 Uiso 1 1 calc R U . . .
C42 C 0.5666(6) 0.6599(6) 0.7394(6) 0.141(5) Uani 1 1 d . . . . .
H42 H 0.5563 0.6599 0.7856 0.170 Uiso 1 1 calc R U . . .
C43 C 0.6321(5) 0.6643(6) 0.7200(4) 0.121(4) Uani 1 1 d D U . . .
H43 H 0.6657 0.6665 0.7529 0.145 Uiso 1 1 calc R U . . .
C44 C 0.7628(4) 0.7500 0.6573(4) 0.049(2) Uani 1 2 d S T P . .
H44A H 0.7489 0.7500 0.7046 0.059 Uiso 1 2 calc R U P . .
H44B H 0.8115 0.7500 0.6565 0.059 Uiso 1 2 calc R U P . .
P1 P 0.76571(9) 0.64943(8) 0.29039(8) 0.0544(4) Uani 1 1 d . . . . .
P2 P 0.73741(9) 0.57687(8) 0.42368(8) 0.0548(4) Uani 1 1 d . . . . .
P3 P 0.73297(8) 0.67657(7) 0.61719(7) 0.0462(4) Uani 1 1 d . . . . .
C45 C 0.5180(9) 0.7397(9) 0.4216(9) 0.118(9) Uani 0.5 1 d D . P B -1
F1 F 0.4749(5) 0.763(2) 0.3766(7) 0.186(12) Uani 0.5 1 d D . P B -1
F2 F 0.5001(8) 0.7719(12) 0.4768(8) 0.162(13) Uani 0.5 1 d D . P B -1
F3 F 0.5135(12) 0.6780(9) 0.4351(14) 0.223(10) Uani 0.5 1 d D . P B -1
S1 S 0.60024(19) 0.7562(18) 0.3993(2) 0.090(5) Uani 0.5 1 d . . P B -1
O1 O 0.6116(11) 0.7225(10) 0.3419(10) 0.174(11) Uani 0.5 1 d . . P B -1
O2 O 0.5937(10) 0.8229(8) 0.3813(13) 0.167(8) Uani 0.5 1 d . . P B -1
O3 O 0.6401(5) 0.743(3) 0.4548(6) 0.132(9) Uani 0.5 1 d . . P B -1
C46 C 0.6724(8) 0.2402(10) 0.4098(10) 0.158(13) Uani 0.5 1 d D . P C -1
F4 F 0.6571(9) 0.265(2) 0.4700(9) 0.225(16) Uani 0.5 1 d D . P C -1
F5 F 0.6694(15) 0.1761(9) 0.4067(12) 0.240(11) Uani 0.5 1 d D . P C -1
F6 F 0.6334(7) 0.2668(17) 0.3632(11) 0.218(14) Uani 0.5 1 d D . P C -1
S2 S 0.7575(2) 0.2422(9) 0.38809(18) 0.102(3) Uani 0.5 1 d D . P C -1
O4 O 0.7930(8) 0.2749(10) 0.4379(6) 0.206(17) Uani 0.5 1 d D . P C -1
O5 O 0.7612(13) 0.1745(7) 0.3893(11) 0.197(10) Uani 0.5 1 d D . P C -1
O6 O 0.7641(7) 0.2672(11) 0.3233(5) 0.144(10) Uani 0.5 1 d D . P C -1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C1 2.243(9) . ?
Ag1 P1 2.4922(17) 7_575 ?
Ag1 P1 2.4922(17) . ?
Ag1 Ag2 3.1441(8) . ?
Ag1 Ag2 3.1442(7) 7_575 ?
Ag2 C1 2.325(7) . ?
Ag2 P2 2.4559(16) . ?
Ag2 P3 2.4722(15) . ?
Ag2 Ag2 3.1669(9) 7_575 ?
C1 C2 1.215(12) . ?
C1 Ag2 2.325(7) 7_575 ?
C2 C3 1.47(3) . ?
C3 C5 1.3(3) . ?
C3 C6 1.59(16) . ?
C3 C4 1.6(2) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C7 P1 1.821(4) . ?
C8 C9 1.3900 . ?
C8 H8A 0.9300 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10A 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C18 1.369(13) . ?
C13 C14 1.381(11) . ?
C13 P1 1.799(8) . ?
C14 C15 1.366(15) . ?
C14 H14 0.9300 . ?
C15 C16 1.35(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.37(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.405(16) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.366(10) . ?
C19 C20 1.391(10) . ?
C19 P2 1.811(7) . ?
C20 C21 1.382(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.376(14) . ?
C21 H21 0.9300 . ?
C22 C23 1.372(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.399(12) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.333(12) . ?
C25 C30 1.421(8) . ?
C25 P2 1.794(8) . ?
C26 C27 1.391(13) . ?
C26 H26 0.9300 . ?
C27 C28 1.340(15) . ?
C27 H27 0.9300 . ?
C28 C29 1.235(15) . ?
C28 H28 0.9300 . ?
C29 C30 1.396(14) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 P2 1.824(6) . ?
C31 P1 1.833(6) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C37 1.354(10) . ?
C32 C33 1.393(9) . ?
C32 P3 1.826(6) . ?
C33 C34 1.362(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.378(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.338(15) . ?
C35 H35 0.9300 . ?
C36 C37 1.353(12) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.341(10) . ?
C38 C43 1.422(7) . ?
C38 P3 1.800(7) . ?
C39 C40 1.360(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.317(14) . ?
C40 H40 0.9300 . ?
C41 C42 1.321(13) . ?
C41 H41 0.9300 . ?
C42 C43 1.363(12) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 P3 1.828(4) 7_575 ?
C44 P3 1.828(4) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 F2 1.324(10) . ?
C45 F1 1.324(10) . ?
C45 F3 1.324(10) . ?
C45 S1 1.73(2) . ?
S1 O1 1.35(3) . ?
S1 O3 1.374(13) . ?
S1 O2 1.45(4) . ?
C46 F6 1.324(10) . ?
C46 F4 1.325(10) . ?
C46 F5 1.345(10) . ?
C46 S2 1.747(16) . ?
S2 O6 1.381(12) . ?
S2 O4 1.387(14) . ?
S2 O5 1.421(18) . ?

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
C1 Ag1 P1 120.90(6) . 7_575 ?
C1 Ag1 P1 120.89(6) . . ?
P1 Ag1 P1 115.54(8) 7_575 . ?
C1 Ag1 Ag2 47.60(19) . . ?
P1 Ag1 Ag2 148.22(4) 7_575 . ?
P1 Ag1 Ag2 89.89(4) . . ?
C1 Ag1 Ag2 47.60(19) . 7_575 ?
P1 Ag1 Ag2 89.89(4) 7_575 7_575 ?
P1 Ag1 Ag2 148.22(4) . 7_575 ?
Ag2 Ag1 Ag2 60.48(2) . 7_575 ?
C1 Ag2 P2 118.39(18) . . ?
C1 Ag2 P3 109.9(2) . . ?
P2 Ag2 P3 123.19(5) . . ?
C1 Ag2 Ag1 45.4(2) . . ?
P2 Ag2 Ag1 88.55(4) . . ?
P3 Ag2 Ag1 148.26(4) . . ?
C1 Ag2 Ag2 47.08(17) . 7_575 ?
P2 Ag2 Ag2 146.41(4) . 7_575 ?
P3 Ag2 Ag2 88.97(4) . 7_575 ?
Ag1 Ag2 Ag2 59.761(10) . 7_575 ?
C2 C1 Ag1 141.7(8) . . ?
C2 C1 Ag2 119.6(5) . . ?
Ag1 C1 Ag2 87.0(3) . . ?
C2 C1 Ag2 119.6(5) . 7_575 ?
Ag1 C1 Ag2 87.0(3) . 7_575 ?
Ag2 C1 Ag2 85.8(3) . 7_575 ?
C1 C2 C3 174(10) . . ?
C5 C3 C2 119(10) . . ?
C5 C3 C6 116(7) . . ?
C2 C3 C6 104(9) . . ?
C5 C3 C4 114(4) . . ?
C2 C3 C4 104(10) . . ?
C6 C3 C4 98(10) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 119.9(3) . . ?
C12 C7 P1 120.1(3) . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C7 C12 H12A 120.0 . . ?
C18 C13 C14 118.0(9) . . ?
C18 C13 P1 118.0(7) . . ?
C14 C13 P1 123.8(8) . . ?
C15 C14 C13 122.7(12) . . ?
C15 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
C16 C15 C14 117.9(16) . . ?
C16 C15 H15 121.0 . . ?
C14 C15 H15 121.0 . . ?
C15 C16 C17 122.9(17) . . ?
C15 C16 H16 118.6 . . ?
C17 C16 H16 118.6 . . ?
C16 C17 C18 118.0(17) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 H17 121.0 . . ?
C13 C18 C17 120.4(13) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C24 C19 C20 119.7(8) . . ?
C24 C19 P2 118.0(6) . . ?
C20 C19 P2 122.3(7) . . ?
C21 C20 C19 120.2(9) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 119.1(10) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C23 C22 C21 121.8(11) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C22 C23 C24 118.4(11) . . ?
C22 C23 H23 120.8 . . ?
C24 C23 H23 120.8 . . ?
C19 C24 C23 120.8(9) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C30 112.6(9) . . ?
C26 C25 P2 125.7(7) . . ?
C30 C25 P2 121.6(7) . . ?
C25 C26 C27 124.9(11) . . ?
C25 C26 H26 117.6 . . ?
C27 C26 H26 117.6 . . ?
C28 C27 C26 118.4(13) . . ?
C28 C27 H27 120.8 . . ?
C26 C27 H27 120.8 . . ?
C29 C28 C27 120.8(14) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 122.9(13) . . ?
C28 C29 H29 118.5 . . ?
C30 C29 H29 118.5 . . ?
C29 C30 C25 120.4(11) . . ?
C29 C30 H30 119.8 . . ?
C25 C30 H30 119.8 . . ?
P2 C31 P1 114.6(3) . . ?
P2 C31 H31A 108.6 . . ?
P1 C31 H31A 108.6 . . ?
P2 C31 H31B 108.6 . . ?
P1 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C37 C32 C33 117.5(7) . . ?
C37 C32 P3 118.7(5) . . ?
C33 C32 P3 123.8(5) . . ?
C34 C33 C32 120.4(9) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 119.7(10) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.9(9) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 120.3(11) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C36 C37 C32 122.2(9) . . ?
C36 C37 H37 118.9 . . ?
C32 C37 H37 118.9 . . ?
C39 C38 C43 114.6(7) . . ?
C39 C38 P3 120.6(6) . . ?
C43 C38 P3 124.6(5) . . ?
C38 C39 C40 122.7(9) . . ?
C38 C39 H39 118.6 . . ?
C40 C39 H39 118.6 . . ?
C41 C40 C39 122.0(10) . . ?
C41 C40 H40 119.0 . . ?
C39 C40 H40 119.0 . . ?
C40 C41 C42 118.3(10) . . ?
C40 C41 H41 120.9 . . ?
C42 C41 H41 120.9 . . ?
C41 C42 C43 122.3(10) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
C42 C43 C38 120.1(9) . . ?
C42 C43 H43 119.9 . . ?
C38 C43 H43 119.9 . . ?
P3 C44 P3 114.7(4) 7_575 . ?
P3 C44 H44A 108.6 7_575 . ?
P3 C44 H44A 108.6 . . ?
P3 C44 H44B 108.6 7_575 . ?
P3 C44 H44B 108.6 . . ?
H44A C44 H44B 107.6 . . ?
C13 P1 C7 102.0(3) . . ?
C13 P1 C31 105.7(3) . . ?
C7 P1 C31 101.4(3) . . ?
C13 P1 Ag1 115.2(3) . . ?
C7 P1 Ag1 117.5(2) . . ?
C31 P1 Ag1 113.3(2) . . ?
C25 P2 C19 104.8(4) . . ?
C25 P2 C31 101.6(3) . . ?
C19 P2 C31 104.5(3) . . ?
C25 P2 Ag2 115.3(3) . . ?
C19 P2 Ag2 113.3(2) . . ?
C31 P2 Ag2 115.8(2) . . ?
C38 P3 C32 107.0(3) . . ?
C38 P3 C44 105.0(3) . . ?
C32 P3 C44 101.0(3) . . ?
C38 P3 Ag2 117.4(2) . . ?
C32 P3 Ag2 111.2(2) . . ?
C44 P3 Ag2 113.8(3) . . ?
F2 C45 F1 100.6(17) . . ?
F2 C45 F3 108(3) . . ?
F1 C45 F3 117(3) . . ?
F2 C45 S1 111.0(16) . . ?
F1 C45 S1 111.8(15) . . ?
F3 C45 S1 108(2) . . ?
O1 S1 O3 117(3) . . ?
O1 S1 O2 109(2) . . ?
O3 S1 O2 116(3) . . ?
O1 S1 C45 105.4(18) . . ?
O3 S1 C45 107.8(12) . . ?
O2 S1 C45 99.8(16) . . ?
F6 C46 F4 108(2) . . ?
F6 C46 F5 111(3) . . ?
F4 C46 F5 115(3) . . ?
F6 C46 S2 113.0(14) . . ?
F4 C46 S2 115.5(13) . . ?
F5 C46 S2 93.2(15) . . ?
O6 S2 O4 114.3(14) . . ?
O6 S2 O5 112.9(13) . . ?
O4 S2 O5 117.0(15) . . ?
O6 S2 C46 109.0(9) . . ?
O4 S2 C46 109.5(10) . . ?
O5 S2 C46 91.3(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
C12 C7 C8 C9 0.0 . . . . ?
P1 C7 C8 C9 -179.9(5) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
P1 C7 C12 C11 179.9(5) . . . . ?
C18 C13 C14 C15 0.2(15) . . . . ?
P1 C13 C14 C15 174.7(8) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C14 C15 C16 C17 -1(3) . . . . ?
C15 C16 C17 C18 3(3) . . . . ?
C14 C13 C18 C17 1.2(16) . . . . ?
P1 C13 C18 C17 -173.6(10) . . . . ?
C16 C17 C18 C13 -3(2) . . . . ?
C24 C19 C20 C21 0.1(11) . . . . ?
P2 C19 C20 C21 177.4(7) . . . . ?
C19 C20 C21 C22 0.3(15) . . . . ?
C20 C21 C22 C23 -1.2(18) . . . . ?
C21 C22 C23 C24 1.7(18) . . . . ?
C20 C19 C24 C23 0.5(12) . . . . ?
P2 C19 C24 C23 -176.9(7) . . . . ?
C22 C23 C24 C19 -1.4(15) . . . . ?
C30 C25 C26 C27 -1.3(17) . . . . ?
P2 C25 C26 C27 -178.3(9) . . . . ?
C25 C26 C27 C28 1(2) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C27 C28 C29 C30 -1(3) . . . . ?
C28 C29 C30 C25 0(2) . . . . ?
C26 C25 C30 C29 0.7(16) . . . . ?
P2 C25 C30 C29 177.9(9) . . . . ?
C37 C32 C33 C34 2.0(13) . . . . ?
P3 C32 C33 C34 -176.5(7) . . . . ?
C32 C33 C34 C35 -0.6(15) . . . . ?
C33 C34 C35 C36 -2.0(19) . . . . ?
C34 C35 C36 C37 3(2) . . . . ?
C35 C36 C37 C32 -2(2) . . . . ?
C33 C32 C37 C36 -0.9(15) . . . . ?
P3 C32 C37 C36 177.7(10) . . . . ?
C43 C38 C39 C40 0.5(15) . . . . ?
P3 C38 C39 C40 -174.9(9) . . . . ?
C38 C39 C40 C41 -2(2) . . . . ?
C39 C40 C41 C42 3(2) . . . . ?
C40 C41 C42 C43 -3(2) . . . . ?
C41 C42 C43 C38 1(2) . . . . ?
C39 C38 C43 C42 0.2(15) . . . . ?
P3 C38 C43 C42 175.4(9) . . . . ?
C18 C13 P1 C7 109.7(7) . . . . ?
C14 C13 P1 C7 -64.8(7) . . . . ?
C18 C13 P1 C31 -144.6(7) . . . . ?
C14 C13 P1 C31 40.9(7) . . . . ?
C18 C13 P1 Ag1 -18.7(8) . . . . ?
C14 C13 P1 Ag1 166.8(6) . . . . ?
C8 C7 P1 C13 -26.0(5) . . . . ?
C12 C7 P1 C13 154.1(5) . . . . ?
C8 C7 P1 C31 -135.0(4) . . . . ?
C12 C7 P1 C31 45.2(5) . . . . ?
C8 C7 P1 Ag1 100.9(4) . . . . ?
C12 C7 P1 Ag1 -79.0(4) . . . . ?
P2 C31 P1 C13 81.1(4) . . . . ?
P2 C31 P1 C7 -172.9(3) . . . . ?
P2 C31 P1 Ag1 -46.0(4) . . . . ?
C26 C25 P2 C19 -132.2(9) . . . . ?
C30 C25 P2 C19 51.1(8) . . . . ?
C26 C25 P2 C31 -23.6(10) . . . . ?
C30 C25 P2 C31 159.7(8) . . . . ?
C26 C25 P2 Ag2 102.5(9) . . . . ?
C30 C25 P2 Ag2 -74.2(8) . . . . ?
C24 C19 P2 C25 -151.5(6) . . . . ?
C20 C19 P2 C25 31.1(6) . . . . ?
C24 C19 P2 C31 102.0(6) . . . . ?
C20 C19 P2 C31 -75.4(6) . . . . ?
C24 C19 P2 Ag2 -25.0(6) . . . . ?
C20 C19 P2 Ag2 157.6(5) . . . . ?
P1 C31 P2 C25 173.3(4) . . . . ?
P1 C31 P2 C19 -77.9(4) . . . . ?
P1 C31 P2 Ag2 47.6(4) . . . . ?
C39 C38 P3 C32 -131.8(7) . . . . ?
C43 C38 P3 C32 53.2(8) . . . . ?
C39 C38 P3 C44 121.4(7) . . . . ?
C43 C38 P3 C44 -53.5(8) . . . . ?
C39 C38 P3 Ag2 -6.1(7) . . . . ?
C43 C38 P3 Ag2 179.0(7) . . . . ?
C37 C32 P3 C38 111.6(7) . . . . ?
C33 C32 P3 C38 -69.9(7) . . . . ?
C37 C32 P3 C44 -138.8(7) . . . . ?
C33 C32 P3 C44 39.7(7) . . . . ?
C37 C32 P3 Ag2 -17.8(7) . . . . ?
C33 C32 P3 Ag2 160.7(6) . . . . ?
P3 C44 P3 C38 -80.3(5) 7_575 . . . ?
P3 C44 P3 C32 168.6(4) 7_575 . . . ?
P3 C44 P3 Ag2 49.4(5) 7_575 . . . ?
F2 C45 S1 O1 -178(2) . . . . ?
F1 C45 S1 O1 -67(3) . . . . ?
F3 C45 S1 O1 63(3) . . . . ?
F2 C45 S1 O3 56(4) . . . . ?
F1 C45 S1 O3 167(3) . . . . ?
F3 C45 S1 O3 -63(4) . . . . ?
F2 C45 S1 O2 -65.8(19) . . . . ?
F1 C45 S1 O2 46(3) . . . . ?
F3 C45 S1 O2 175(2) . . . . ?
F6 C46 S2 O6 -5(3) . . . . ?
F4 C46 S2 O6 -130(3) . . . . ?
F5 C46 S2 O6 110.1(19) . . . . ?
F6 C46 S2 O4 121(2) . . . . ?
F4 C46 S2 O4 -5(3) . . . . ?
F5 C46 S2 O4 -124.2(19) . . . . ?
F6 C46 S2 O5 -120(2) . . . . ?
F4 C46 S2 O5 115(3) . . . . ?
F5 C46 S2 O5 -4.8(18) . . . . ?

_refine_diff_density_max         0.853
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.078

# start Validation Reply Form

_vrf_THETM01_Ag3_1               
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
 Calculated sin(theta_max)/wavelength = 0.5732
RESPONSE: The crystal does not diffract well at the high 2-theta angle
because of disorder.
;
# end Validation Reply Form

####################################################################### 
# 
# 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_Ag3_2
_database_code_depnum_ccdc_archive 'CCDC 2058626'
_audit_update_record             
;
2021-03-23 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C76 H66 Ag3 O3 P6, C F3 O3 S, C H4 O, O'
_chemical_formula_sum            'C78 H72 Ag3 F3 O8 P6 S'
_chemical_formula_weight         1735.84

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

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

_cell_length_a                   13.0670(6)
_cell_length_b                   22.5859(11)
_cell_length_c                   14.0988(6)
_cell_angle_alpha                90
_cell_angle_beta                 114.9290(10)
_cell_angle_gamma                90
_cell_volume                     3773.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      2.4063
_cell_measurement_theta_max      25.0285

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_F_000             1756
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.987
_shelx_estimated_absorpt_T_min   0.866
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.6707
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32189
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.406
_diffrn_reflns_theta_max         25.078
_diffrn_reflns_theta_full        25.078
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6853
_reflns_number_gt                5904
_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 Instrument Service vV6.2.9'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'DIAMOND, Vers. 3.2h (Brandenburg, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0276P)²+8.4134P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6853
_refine_ls_number_parameters     509
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.0882
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.117
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.49611(3) 0.2500 0.33036(3) 0.03686(11) Uani 1 2 d S T P . .
Ag2 Ag 0.28720(2) 0.31966(2) 0.22206(2) 0.03459(9) Uani 1 1 d . . . . .
C1 C -0.0130(3) 0.33329(16) 0.1078(3) 0.0373(8) Uani 1 1 d . . . . .
C2 C -0.1258(3) 0.3226(2) 0.0439(3) 0.0539(11) Uani 1 1 d . . . . .
H2 H -0.1467 0.3079 -0.0233 0.065 Uiso 1 1 calc R U . . .
C3 C -0.2068(4) 0.3337(2) 0.0798(4) 0.0691(14) Uani 1 1 d . . . . .
H3 H -0.2820 0.3251 0.0377 0.083 Uiso 1 1 calc R U . . .
C4 C -0.1770(4) 0.3575(3) 0.1777(4) 0.0739(15) Uani 1 1 d . . . . .
H4 H -0.2323 0.3655 0.2011 0.089 Uiso 1 1 calc R U . . .
C5 C -0.0666(4) 0.3695(3) 0.2404(4) 0.0748(15) Uani 1 1 d . . . . .
H5 H -0.0466 0.3861 0.3062 0.090 Uiso 1 1 calc R U . . .
C6 C 0.0154(4) 0.3569(2) 0.2060(3) 0.0540(11) Uani 1 1 d . . . . .
H6 H 0.0907 0.3644 0.2495 0.065 Uiso 1 1 calc R U . . .
C7 C 0.0886(3) 0.37425(15) -0.0280(3) 0.0370(8) Uani 1 1 d . . . . .
C8 C 0.1684(4) 0.37282(19) -0.0689(3) 0.0529(10) Uani 1 1 d . . . . .
H8 H 0.2214 0.3425 -0.0503 0.064 Uiso 1 1 calc R U . . .
C9 C 0.1689(5) 0.4165(2) -0.1372(4) 0.0736(15) Uani 1 1 d . . . . .
H9 H 0.2212 0.4148 -0.1658 0.088 Uiso 1 1 calc R U . . .
C10 C 0.0931(6) 0.4624(2) -0.1632(4) 0.0825(18) Uani 1 1 d . . . . .
H10 H 0.0950 0.4921 -0.2082 0.099 Uiso 1 1 calc R U . . .
C11 C 0.0154(5) 0.4643(2) -0.1230(4) 0.0737(15) Uani 1 1 d . . . . .
H11 H -0.0358 0.4955 -0.1407 0.088 Uiso 1 1 calc R U . . .
C12 C 0.0112(4) 0.42022(18) -0.0558(3) 0.0529(10) Uani 1 1 d . . . . .
H12 H -0.0432 0.4216 -0.0296 0.063 Uiso 1 1 calc R U . . .
C13 C 0.0665(4) 0.2500 -0.0071(4) 0.0337(11) Uani 1 2 d S T P . .
H13A H -0.0137 0.2500 -0.0523 0.040 Uiso 1 2 calc R U P . .
H13B H 0.1063 0.2500 -0.0516 0.040 Uiso 1 2 calc R U P . .
C14 C 0.7348(3) 0.34723(16) 0.4820(3) 0.0419(9) Uani 1 1 d . . . . .
C15 C 0.7593(4) 0.3539(3) 0.5860(4) 0.0712(14) Uani 1 1 d . . . . .
H15 H 0.7022 0.3615 0.6074 0.085 Uiso 1 1 calc R U . . .
C16 C 0.8722(5) 0.3490(3) 0.6600(5) 0.099(2) Uani 1 1 d . . . . .
H16 H 0.8894 0.3532 0.7307 0.119 Uiso 1 1 calc R U . . .
C17 C 0.9556(5) 0.3384(3) 0.6304(6) 0.099(2) Uani 1 1 d . . . . .
H17 H 1.0298 0.3355 0.6803 0.119 Uiso 1 1 calc R U . . .
C18 C 0.9317(4) 0.3321(4) 0.5292(6) 0.110(2) Uani 1 1 d . . . . .
H18 H 0.9894 0.3250 0.5085 0.132 Uiso 1 1 calc R U . . .
C19 C 0.8209(4) 0.3362(3) 0.4545(4) 0.0802(17) Uani 1 1 d . . . . .
H19 H 0.8053 0.3312 0.3842 0.096 Uiso 1 1 calc R U . . .
C20 C 0.5939(3) 0.38873(17) 0.2746(3) 0.0402(8) Uani 1 1 d . . . . .
C21 C 0.6439(4) 0.44383(19) 0.2923(4) 0.0643(13) Uani 1 1 d . . . . .
H21 H 0.6790 0.4580 0.3605 0.077 Uiso 1 1 calc R U . . .
C22 C 0.6434(6) 0.4780(3) 0.2131(6) 0.094(2) Uani 1 1 d . . . . .
H22 H 0.6791 0.5146 0.2272 0.113 Uiso 1 1 calc R U . . .
C23 C 0.5910(6) 0.4586(4) 0.1137(7) 0.102(3) Uani 1 1 d . . . . .
H23 H 0.5905 0.4823 0.0595 0.123 Uiso 1 1 calc R U . . .
C24 C 0.5382(5) 0.4041(4) 0.0908(4) 0.088(2) Uani 1 1 d . . . . .
H24 H 0.5021 0.3911 0.0219 0.106 Uiso 1 1 calc R U . . .
C25 C 0.5398(3) 0.3685(2) 0.1737(3) 0.0573(12) Uani 1 1 d . . . . .
H25 H 0.5046 0.3317 0.1601 0.069 Uiso 1 1 calc R U . . .
C26 C 0.5127(3) 0.39397(15) 0.4330(3) 0.0330(7) Uani 1 1 d . . . . .
H26A H 0.5514 0.4317 0.4531 0.040 Uiso 1 1 calc R U . . .
H26B H 0.5112 0.3761 0.4949 0.040 Uiso 1 1 calc R U . . .
C27 C 0.3725(3) 0.47413(15) 0.2676(3) 0.0360(8) Uani 1 1 d . . . . .
C28 C 0.3086(3) 0.47787(18) 0.1608(3) 0.0482(10) Uani 1 1 d . . . . .
H28 H 0.2669 0.4453 0.1244 0.058 Uiso 1 1 calc R U . . .
C29 C 0.3065(4) 0.5298(2) 0.1077(4) 0.0665(13) Uani 1 1 d . . . . .
H29 H 0.2620 0.5322 0.0361 0.080 Uiso 1 1 calc R U . . .
C30 C 0.3691(5) 0.5773(2) 0.1597(4) 0.0690(13) Uani 1 1 d . . . . .
H30 H 0.3676 0.6120 0.1237 0.083 Uiso 1 1 calc R U . . .
C31 C 0.4348(4) 0.57391(19) 0.2660(4) 0.0647(13) Uani 1 1 d . . . . .
H31 H 0.4785 0.6061 0.3016 0.078 Uiso 1 1 calc R U . . .
C32 C 0.4355(4) 0.52297(17) 0.3190(3) 0.0498(10) Uani 1 1 d . . . . .
H32 H 0.4791 0.5212 0.3908 0.060 Uiso 1 1 calc R U . . .
C33 C 0.2916(3) 0.42809(16) 0.4131(3) 0.0375(8) Uani 1 1 d . . . . .
C34 C 0.2940(4) 0.39162(19) 0.4924(3) 0.0521(10) Uani 1 1 d . . . . .
H34 H 0.3403 0.3584 0.5109 0.062 Uiso 1 1 calc R U . . .
C35 C 0.2277(5) 0.4044(2) 0.5448(4) 0.0713(14) Uani 1 1 d . . . . .
H35 H 0.2305 0.3801 0.5991 0.086 Uiso 1 1 calc R U . . .
C36 C 0.1579(4) 0.4528(3) 0.5169(5) 0.0730(15) Uani 1 1 d . . . . .
H36 H 0.1124 0.4607 0.5514 0.088 Uiso 1 1 calc R U . . .
C37 C 0.1548(4) 0.4892(2) 0.4390(4) 0.0691(14) Uani 1 1 d . . . . .
H37 H 0.1077 0.5221 0.4208 0.083 Uiso 1 1 calc R U . . .
C38 C 0.2215(3) 0.4774(2) 0.3868(3) 0.0536(10) Uani 1 1 d . . . . .
H38 H 0.2194 0.5027 0.3338 0.064 Uiso 1 1 calc R U . . .
P1 P 0.10127(7) 0.31866(4) 0.07028(7) 0.02998(19) Uani 1 1 d . . . . .
P2 P 0.58998(7) 0.34568(4) 0.38167(7) 0.03068(19) Uani 1 1 d . . . . .
P3 P 0.36781(7) 0.40639(4) 0.33559(7) 0.0321(2) Uani 1 1 d . . . . .
O6 O 0.2189(5) 0.2500 0.3589(4) 0.0837(15) Uani 1 2 d S T P . .
H6A H 0.2845 0.2500 0.4030 0.126 Uiso 1 2 d R U P . .
C42 C 0.1452(8) 0.2500 0.4099(7) 0.093(3) Uani 1 2 d S T P . .
H42A H 0.1776 0.2265 0.4724 0.139 Uiso 0.5 1 calc R U P A -1
H42B H 0.0736 0.2336 0.3640 0.139 Uiso 0.5 1 calc R U P A -1
H42C H 0.1349 0.2899 0.4278 0.139 Uiso 0.5 1 calc R U P A -1
C40 C 0.3213(16) 0.2626(8) -0.2155(16) 0.129(8) Uani 0.5 1 d . . P B -2
F1 F 0.2258(9) 0.2316(15) -0.2497(12) 0.218(19) Uani 0.5 1 d . . P B -2
F2 F 0.322(3) 0.3163(11) -0.2174(16) 0.276(15) Uani 0.5 1 d . . P B -2
F3 F 0.3621(10) 0.263(2) -0.2915(8) 0.199(16) Uani 0.5 1 d . . P B -2
S1 S 0.4097(4) 0.2380(8) -0.0968(4) 0.168(6) Uani 0.5 1 d . . P B -2
O3 O 0.390(3) 0.1690(9) -0.133(2) 0.238(13) Uani 0.5 1 d . . P B -2
O4 O 0.3544(10) 0.256(3) -0.0345(8) 0.157(10) Uani 0.5 1 d . . P B -2
O5 O 0.5120(9) 0.2710(11) -0.0787(11) 0.214(15) Uani 0.5 1 d . . P B -2
O1 O 0.4239(16) 0.2500 0.4747(13) 0.078(2) Uani 0.5 2 d S TU P C 1
O2 O 0.5099(7) 0.3020(4) 0.6068(7) 0.0754(18) Uani 0.5 1 d . U P C 1
C39 C 0.5065(6) 0.2500 0.5795(5) 0.0533(13) Uani 1 2 d S TU P C 1
O1' O 0.4441(17) 0.2500 0.4972(15) 0.079(2) Uani 0.5 2 d S TU P D 2
O2' O 0.5640(7) 0.2914(4) 0.6349(7) 0.0763(19) Uani 0.5 1 d . U P E 2
O1W O -0.319(2) 0.2500 -0.161(3) 0.229(8) Uiso 0.58(3) 2 d S . P F 1
O1W' O 0.673(3) 0.2500 0.757(4) 0.229(8) Uiso 0.42(3) 2 d S . P F 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P2 2.4392(8) 4_565 ?
Ag1 P2 2.4392(9) . ?
Ag1 O1 2.58(2) . ?
Ag1 Ag2 2.9572(4) 4_565 ?
Ag1 Ag2 2.9572(4) . ?
Ag2 P3 2.4673(9) . ?
Ag2 P1 2.4697(9) . ?
Ag2 Ag2 3.1466(5) 4_565 ?
C1 C6 1.381(5) . ?
C1 C2 1.386(5) . ?
C1 P1 1.812(4) . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.375(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.386(5) . ?
C7 C8 1.388(6) . ?
C7 P1 1.825(4) . ?
C8 C9 1.381(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.356(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.392(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 P1 1.839(3) 4_565 ?
C13 P1 1.839(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C19 1.358(6) . ?
C14 C15 1.372(6) . ?
C14 P2 1.824(4) . ?
C15 C16 1.407(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.342(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.334(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(7) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.374(6) . ?
C20 C21 1.378(6) . ?
C20 P2 1.814(4) . ?
C21 C22 1.355(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.348(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.412(7) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 P2 1.830(3) . ?
C26 P3 1.832(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.383(5) . ?
C27 C32 1.384(5) . ?
C27 P3 1.820(4) . ?
C28 C29 1.385(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.362(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.380(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.369(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.380(6) . ?
C33 C38 1.390(5) . ?
C33 P3 1.828(4) . ?
C34 C35 1.385(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.370(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.359(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.383(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
O6 C42 1.424(9) . ?
O6 H6A 0.8200 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C40 F2 1.21(3) . ?
C40 F1 1.33(3) . ?
C40 F3 1.38(2) . ?
C40 S1 1.68(2) . ?
S1 O4 1.41(2) . ?
S1 O5 1.456(18) . ?
S1 O3 1.63(3) . ?
O1 C39 1.416(16) . ?
O2 C39 1.230(9) . ?
C39 O2 1.230(9) 4_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ag1 P2 124.74(4) 4_565 . ?
P2 Ag1 O1 94.10(17) 4_565 . ?
P2 Ag1 O1 94.10(17) . . ?
P2 Ag1 Ag2 85.48(2) 4_565 4_565 ?
P2 Ag1 Ag2 149.75(2) . 4_565 ?
O1 Ag1 Ag2 80.9(3) . 4_565 ?
P2 Ag1 Ag2 149.75(2) 4_565 . ?
P2 Ag1 Ag2 85.48(2) . . ?
O1 Ag1 Ag2 80.9(3) . . ?
Ag2 Ag1 Ag2 64.284(13) 4_565 . ?
P3 Ag2 P1 124.37(3) . . ?
P3 Ag2 Ag1 92.21(2) . . ?
P1 Ag2 Ag1 143.07(2) . . ?
P3 Ag2 Ag2 142.55(2) . 4_565 ?
P1 Ag2 Ag2 89.47(2) . 4_565 ?
Ag1 Ag2 Ag2 57.858(6) . 4_565 ?
C6 C1 C2 118.8(4) . . ?
C6 C1 P1 117.2(3) . . ?
C2 C1 P1 124.0(3) . . ?
C3 C2 C1 120.1(4) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.8(5) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 120.8(4) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
C12 C7 C8 119.1(4) . . ?
C12 C7 P1 123.5(3) . . ?
C8 C7 P1 117.1(3) . . ?
C9 C8 C7 119.9(4) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 120.7(5) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 119.7(5) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.9(5) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 119.7(5) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
P1 C13 P1 114.9(3) 4_565 . ?
P1 C13 H13A 108.5 4_565 . ?
P1 C13 H13A 108.5 . . ?
P1 C13 H13B 108.5 4_565 . ?
P1 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C19 C14 C15 118.5(4) . . ?
C19 C14 P2 119.3(3) . . ?
C15 C14 P2 122.0(3) . . ?
C14 C15 C16 118.9(5) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 121.3(6) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 C16 119.8(5) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.2(6) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 121.3(6) . . ?
C14 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C25 C20 C21 119.0(4) . . ?
C25 C20 P2 120.0(3) . . ?
C21 C20 P2 120.8(3) . . ?
C22 C21 C20 121.9(6) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C23 C22 C21 119.7(6) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 121.2(5) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C25 118.9(6) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C20 C25 C24 119.3(5) . . ?
C20 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
P2 C26 P3 111.28(17) . . ?
P2 C26 H26A 109.4 . . ?
P3 C26 H26A 109.4 . . ?
P2 C26 H26B 109.4 . . ?
P3 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C28 C27 C32 118.3(4) . . ?
C28 C27 P3 119.1(3) . . ?
C32 C27 P3 122.6(3) . . ?
C27 C28 C29 120.4(4) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.9(4) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 119.8(4) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C27 121.2(4) . . ?
C31 C32 H32 119.4 . . ?
C27 C32 H32 119.4 . . ?
C34 C33 C38 118.8(4) . . ?
C34 C33 P3 119.5(3) . . ?
C38 C33 P3 121.3(3) . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 120.2(5) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C37 C36 C35 120.3(4) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C38 120.2(5) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C33 120.3(4) . . ?
C37 C38 H38 119.9 . . ?
C33 C38 H38 119.9 . . ?
C1 P1 C7 105.89(17) . . ?
C1 P1 C13 107.4(2) . . ?
C7 P1 C13 102.08(17) . . ?
C1 P1 Ag2 112.10(12) . . ?
C7 P1 Ag2 113.12(12) . . ?
C13 P1 Ag2 115.38(14) . . ?
C20 P2 C14 104.51(18) . . ?
C20 P2 C26 102.92(16) . . ?
C14 P2 C26 104.31(16) . . ?
C20 P2 Ag1 114.54(13) . . ?
C14 P2 Ag1 118.34(12) . . ?
C26 P2 Ag1 110.66(11) . . ?
C27 P3 C33 103.72(16) . . ?
C27 P3 C26 105.65(16) . . ?
C33 P3 C26 104.13(16) . . ?
C27 P3 Ag2 115.19(11) . . ?
C33 P3 Ag2 114.17(11) . . ?
C26 P3 Ag2 112.86(11) . . ?
C42 O6 H6A 109.2 . . ?
O6 C42 H42A 109.5 . . ?
O6 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
O6 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
F2 C40 F1 122(3) . . ?
F2 C40 F3 88(3) . . ?
F1 C40 F3 109(2) . . ?
F2 C40 S1 110(2) . . ?
F1 C40 S1 109.4(17) . . ?
F3 C40 S1 116.5(15) . . ?
O4 S1 O5 115(3) . . ?
O4 S1 O3 114(3) . . ?
O5 S1 O3 124.0(16) . . ?
O4 S1 C40 102.1(14) . . ?
O5 S1 C40 101.5(12) . . ?
O3 S1 C40 92.8(13) . . ?
C39 O1 Ag1 116.9(12) . . ?
O2 C39 O2 145.1(10) 4_565 . ?
O2 C39 O1 103.8(5) 4_565 . ?
O2 C39 O1 103.8(5) . . ?

_refine_diff_density_max         1.138
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.079

####################################################################### 
# 
# 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_Ag3_3
_database_code_depnum_ccdc_archive 'CCDC 2058627'
_audit_update_record             
;
2021-03-23 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C85 H87 Ag3 Cl2 F3 N3 O6 P6 S'
_chemical_formula_weight         1915.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           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                   19.7589(14)
_cell_length_b                   23.1840(16)
_cell_length_c                   18.9443(15)
_cell_angle_alpha                90
_cell_angle_beta                 94.853(2)
_cell_angle_gamma                90
_cell_volume                     8647.1(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9385
_cell_measurement_theta_min      2.3298
_cell_measurement_theta_max      24.9743

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_F_000             3896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.928
_shelx_estimated_absorpt_T_min   0.873
_shelx_estimated_absorpt_T_max   0.889
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.6714
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            75082
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.330
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_full        25.099
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             15350
_reflns_number_gt                12051
_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 Instrument Service vV6.2.9'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'DIAMOND, Vers. 3.2h (Brandenburg, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0455P)²+9.7158P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15350
_refine_ls_number_parameters     988
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.1026
_refine_ls_wR_factor_gt          0.0931
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.90476(2) 0.50900(2) 0.20919(2) 0.04153(9) Uani 1 1 d . . . . .
Ag2 Ag 0.75756(2) 0.44369(2) 0.24388(2) 0.04143(8) Uani 1 1 d . . . . .
Ag3 Ag 0.89521(2) 0.37786(2) 0.30511(2) 0.04279(9) Uani 1 1 d . . . . .
P1 P 0.82701(5) 0.57528(4) 0.14105(5) 0.0343(2) Uani 1 1 d . . . . .
P2 P 0.69950(4) 0.49937(4) 0.14698(5) 0.0328(2) Uani 1 1 d . . . . .
P3 P 0.69623(4) 0.39592(4) 0.33362(5) 0.0332(2) Uani 1 1 d . . . . .
P4 P 0.81915(4) 0.31750(4) 0.36859(5) 0.0333(2) Uani 1 1 d . . . . .
P5 P 1.01722(4) 0.36838(4) 0.29209(5) 0.0335(2) Uani 1 1 d . . . . .
P6 P 1.02835(4) 0.49118(4) 0.22592(5) 0.0336(2) Uani 1 1 d . . . . .
Cl1 Cl 0.86164(5) 0.48663(4) 0.34007(5) 0.0424(2) Uani 1 1 d . . . . .
Cl2 Cl 0.85712(5) 0.40128(4) 0.16733(5) 0.0406(2) Uani 1 1 d . . . . .
C1 C 0.75639(17) 0.53722(15) 0.09166(19) 0.0367(8) Uani 1 1 d . . . . .
H1A H 0.730058 0.564962 0.062489 0.044 Uiso 1 1 calc R U . . .
H1B H 0.775033 0.509528 0.060173 0.044 Uiso 1 1 calc R U . . .
C2 C 0.86383(18) 0.61395(15) 0.0697(2) 0.0387(8) Uani 1 1 d . . . . .
C3 C 0.9335(2) 0.62195(18) 0.0746(2) 0.0552(11) Uani 1 1 d . . . . .
H3 H 0.959855 0.608844 0.114339 0.066 Uiso 1 1 calc R U . . .
C4 C 0.9641(2) 0.6493(2) 0.0207(3) 0.0696(14) Uani 1 1 d . . . . .
H4 H 1.010891 0.655086 0.024542 0.084 Uiso 1 1 calc R U . . .
C5 C 0.9256(2) 0.6679(2) -0.0382(3) 0.0658(13) Uani 1 1 d . . . . .
H5 H 0.946539 0.685687 -0.074631 0.079 Uiso 1 1 calc R U . . .
C6 C 0.8571(3) 0.6606(2) -0.0444(3) 0.0701(14) Uani 1 1 d . . . . .
H6 H 0.831170 0.673476 -0.084587 0.084 Uiso 1 1 calc R U . . .
C7 C 0.8266(2) 0.6338(2) 0.0101(2) 0.0614(12) Uani 1 1 d . . . . .
H7 H 0.779660 0.629169 0.006218 0.074 Uiso 1 1 calc R U . . .
C8 C 0.78463(19) 0.62910(16) 0.1910(2) 0.0415(9) Uani 1 1 d . . . . .
C9 C 0.7646(3) 0.68249(18) 0.1645(3) 0.0644(13) Uani 1 1 d . . . . .
H9 H 0.776186 0.693758 0.119927 0.077 Uiso 1 1 calc R U . . .
C10 C 0.7275(3) 0.7192(2) 0.2036(3) 0.0891(18) Uani 1 1 d . . . . .
H10 H 0.714059 0.754821 0.184817 0.107 Uiso 1 1 calc R U . . .
C11 C 0.7103(3) 0.7041(2) 0.2692(3) 0.0823(17) Uani 1 1 d . . . . .
H11 H 0.684779 0.728978 0.294845 0.099 Uiso 1 1 calc R U . . .
C12 C 0.7311(3) 0.6520(2) 0.2969(3) 0.0714(14) Uani 1 1 d . . . . .
H12 H 0.719842 0.641595 0.341807 0.086 Uiso 1 1 calc R U . . .
C13 C 0.7686(2) 0.61452(18) 0.2591(2) 0.0525(10) Uani 1 1 d . . . . .
H13 H 0.783133 0.579529 0.278977 0.063 Uiso 1 1 calc R U . . .
C14 C 0.63423(18) 0.55043(15) 0.1668(2) 0.0379(8) Uani 1 1 d . . . . .
C15 C 0.6137(2) 0.59631(17) 0.1240(2) 0.0503(10) Uani 1 1 d . . . . .
H15 H 0.635159 0.603558 0.083060 0.060 Uiso 1 1 calc R U . . .
C16 C 0.5616(2) 0.6315(2) 0.1416(3) 0.0647(13) Uani 1 1 d . . . . .
H16 H 0.548754 0.662699 0.112653 0.078 Uiso 1 1 calc R U . . .
C17 C 0.5288(3) 0.6216(2) 0.2002(3) 0.0780(16) Uani 1 1 d . . . . .
H17 H 0.493293 0.645425 0.211221 0.094 Uiso 1 1 calc R U . . .
C18 C 0.5484(3) 0.5760(3) 0.2431(3) 0.093(2) Uani 1 1 d . . . . .
H18 H 0.525918 0.568529 0.283348 0.112 Uiso 1 1 calc R U . . .
C19 C 0.6018(2) 0.5407(2) 0.2265(3) 0.0689(14) Uani 1 1 d . . . . .
H19 H 0.615535 0.510329 0.256414 0.083 Uiso 1 1 calc R U . . .
C20 C 0.65544(18) 0.44973(15) 0.08381(19) 0.0376(8) Uani 1 1 d . . . . .
C21 C 0.6915(2) 0.40452(19) 0.0593(2) 0.0570(11) Uani 1 1 d . . . . .
H21 H 0.737723 0.401523 0.072598 0.068 Uiso 1 1 calc R U . . .
C22 C 0.6602(3) 0.3633(2) 0.0150(3) 0.0752(15) Uani 1 1 d . . . . .
H22 H 0.685179 0.332984 -0.001815 0.090 Uiso 1 1 calc R U . . .
C23 C 0.5922(3) 0.3676(2) -0.0038(3) 0.0834(17) Uani 1 1 d . . . . .
H23 H 0.570628 0.339805 -0.033079 0.100 Uiso 1 1 calc R U . . .
C24 C 0.5563(3) 0.4116(3) 0.0198(3) 0.0860(18) Uani 1 1 d . . . . .
H24 H 0.510054 0.414256 0.006116 0.103 Uiso 1 1 calc R U . . .
C25 C 0.5868(2) 0.4529(2) 0.0638(3) 0.0625(12) Uani 1 1 d . . . . .
H25 H 0.561163 0.482992 0.080044 0.075 Uiso 1 1 calc R U . . .
C26 C 0.74886(17) 0.35721(15) 0.40245(18) 0.0350(8) Uani 1 1 d . . . . .
H26A H 0.767114 0.384711 0.437667 0.042 Uiso 1 1 calc R U . . .
H26B H 0.720436 0.330356 0.425801 0.042 Uiso 1 1 calc R U . . .
C27 C 0.65511(19) 0.45062(16) 0.3856(2) 0.0416(9) Uani 1 1 d . . . . .
C28 C 0.6954(2) 0.49142(18) 0.4211(3) 0.0587(12) Uani 1 1 d . . . . .
H28 H 0.742316 0.489641 0.420090 0.070 Uiso 1 1 calc R U . . .
C29 C 0.6668(3) 0.5349(2) 0.4583(3) 0.0812(16) Uani 1 1 d . . . . .
H29 H 0.694572 0.561717 0.483126 0.097 Uiso 1 1 calc R U . . .
C30 C 0.5978(3) 0.5388(2) 0.4587(3) 0.0838(17) Uani 1 1 d . . . . .
H30 H 0.578753 0.568397 0.483638 0.101 Uiso 1 1 calc R U . . .
C31 C 0.5577(3) 0.5002(2) 0.4234(3) 0.0754(15) Uani 1 1 d . . . . .
H31 H 0.510825 0.503149 0.423912 0.090 Uiso 1 1 calc R U . . .
C32 C 0.5855(2) 0.45519(19) 0.3856(2) 0.0565(11) Uani 1 1 d . . . . .
H32 H 0.557205 0.428712 0.360800 0.068 Uiso 1 1 calc R U . . .
C33 C 0.62793(17) 0.34722(16) 0.3038(2) 0.0410(9) Uani 1 1 d . . . . .
C34 C 0.6068(2) 0.3461(2) 0.2323(3) 0.0588(11) Uani 1 1 d . . . . .
H34 H 0.629630 0.368058 0.200807 0.071 Uiso 1 1 calc R U . . .
C35 C 0.5521(3) 0.3126(2) 0.2073(3) 0.0781(15) Uani 1 1 d . . . . .
H35 H 0.537040 0.312894 0.159469 0.094 Uiso 1 1 calc R U . . .
C36 C 0.5203(3) 0.2790(2) 0.2541(4) 0.0794(17) Uani 1 1 d . . . . .
H36 H 0.484227 0.255589 0.237293 0.095 Uiso 1 1 calc R U . . .
C37 C 0.5403(2) 0.2791(2) 0.3244(3) 0.0704(14) Uani 1 1 d . . . . .
H37 H 0.518158 0.256019 0.355324 0.084 Uiso 1 1 calc R U . . .
C38 C 0.5937(2) 0.31370(18) 0.3498(3) 0.0568(11) Uani 1 1 d . . . . .
H38 H 0.606815 0.314545 0.398069 0.068 Uiso 1 1 calc R U . . .
C39 C 0.78007(19) 0.25715(16) 0.3196(2) 0.0411(9) Uani 1 1 d . . . . .
C40 C 0.7281(2) 0.22381(18) 0.3435(2) 0.0561(11) Uani 1 1 d . . . . .
H40 H 0.709865 0.233490 0.385570 0.067 Uiso 1 1 calc R U . . .
C41 C 0.7034(3) 0.1765(2) 0.3053(3) 0.0745(15) Uani 1 1 d . . . . .
H41 H 0.668874 0.154331 0.321896 0.089 Uiso 1 1 calc R U . . .
C42 C 0.7298(3) 0.1622(3) 0.2430(3) 0.0938(19) Uani 1 1 d . . . . .
H42 H 0.713351 0.130065 0.217749 0.113 Uiso 1 1 calc R U . . .
C43 C 0.7795(4) 0.1944(3) 0.2179(3) 0.102(2) Uani 1 1 d . . . . .
H43 H 0.796960 0.184543 0.175395 0.122 Uiso 1 1 calc R U . . .
C44 C 0.8048(3) 0.2428(2) 0.2561(2) 0.0707(14) Uani 1 1 d . . . . .
H44 H 0.838387 0.265392 0.238371 0.085 Uiso 1 1 calc R U . . .
C45 C 0.85923(18) 0.28677(15) 0.45022(19) 0.0365(8) Uani 1 1 d . . . . .
C46 C 0.8246(2) 0.2550(2) 0.4973(2) 0.0634(13) Uani 1 1 d . . . . .
H46 H 0.778498 0.247563 0.487241 0.076 Uiso 1 1 calc R U . . .
C47 C 0.8577(3) 0.2341(2) 0.5592(3) 0.0708(14) Uani 1 1 d . . . . .
H47 H 0.834208 0.211425 0.589500 0.085 Uiso 1 1 calc R U . . .
C48 C 0.9244(3) 0.2466(2) 0.5763(2) 0.0671(14) Uani 1 1 d . . . . .
H48 H 0.946161 0.233314 0.618657 0.081 Uiso 1 1 calc R U . . .
C49 C 0.9591(2) 0.2784(2) 0.5313(3) 0.0654(13) Uani 1 1 d . . . . .
H49 H 1.004693 0.286794 0.542812 0.078 Uiso 1 1 calc R U . . .
C50 C 0.9270(2) 0.29859(17) 0.4682(2) 0.0478(10) Uani 1 1 d . . . . .
H50 H 0.951317 0.320274 0.437674 0.057 Uiso 1 1 calc R U . . .
C51 C 1.05370(17) 0.41494(14) 0.22629(19) 0.0356(8) Uani 1 1 d . . . . .
H51A H 1.102793 0.413074 0.234251 0.043 Uiso 1 1 calc R U . . .
H51B H 1.041244 0.399121 0.179590 0.043 Uiso 1 1 calc R U . . .
C52 C 1.03859(18) 0.29671(15) 0.26129(19) 0.0380(8) Uani 1 1 d . . . . .
C53 C 0.9974(2) 0.25107(17) 0.2766(3) 0.0567(11) Uani 1 1 d . . . . .
H53 H 0.960534 0.257252 0.302993 0.068 Uiso 1 1 calc R U . . .
C54 C 1.0109(3) 0.19578(19) 0.2526(3) 0.0735(15) Uani 1 1 d . . . . .
H54 H 0.983221 0.165201 0.263687 0.088 Uiso 1 1 calc R U . . .
C55 C 1.0639(3) 0.18620(19) 0.2132(3) 0.0697(14) Uani 1 1 d . . . . .
H55 H 1.072142 0.149314 0.196625 0.084 Uiso 1 1 calc R U . . .
C56 C 1.1048(2) 0.23045(19) 0.1981(3) 0.0639(13) Uani 1 1 d . . . . .
H56 H 1.141414 0.223634 0.171424 0.077 Uiso 1 1 calc R U . . .
C57 C 1.0930(2) 0.28592(17) 0.2217(2) 0.0519(10) Uani 1 1 d . . . . .
H57 H 1.121616 0.315896 0.210906 0.062 Uiso 1 1 calc R U . . .
C58 C 1.06941(19) 0.37674(17) 0.3755(2) 0.0443(9) Uani 1 1 d . . . . .
C59 C 1.1235(2) 0.3423(3) 0.3963(3) 0.0817(17) Uani 1 1 d . . . . .
H59 H 1.137454 0.313909 0.366124 0.098 Uiso 1 1 calc R U . . .
C60 C 1.1580(3) 0.3500(4) 0.4635(4) 0.123(3) Uani 1 1 d . . . . .
H60 H 1.194908 0.326622 0.477590 0.147 Uiso 1 1 calc R U . . .
C61 C 1.1382(3) 0.3909(4) 0.5077(3) 0.102(2) Uani 1 1 d . . . . .
H61 H 1.161719 0.395707 0.551903 0.123 Uiso 1 1 calc R U . . .
C62 C 1.0844(3) 0.4250(3) 0.4884(3) 0.0836(17) Uani 1 1 d . . . . .
H62 H 1.071398 0.453449 0.519159 0.100 Uiso 1 1 calc R U . . .
C63 C 1.0487(2) 0.4177(2) 0.4233(2) 0.0583(11) Uani 1 1 d . . . . .
H63 H 1.010626 0.440269 0.411022 0.070 Uiso 1 1 calc R U . . .
C64 C 1.07467(19) 0.52117(15) 0.3040(2) 0.0409(9) Uani 1 1 d . . . . .
C65 C 1.1437(2) 0.51175(19) 0.3186(3) 0.0587(12) Uani 1 1 d . . . . .
H65 H 1.167248 0.489214 0.288280 0.070 Uiso 1 1 calc R U . . .
C66 C 1.1773(3) 0.5359(3) 0.3781(3) 0.0917(19) Uani 1 1 d . . . . .
H66 H 1.223403 0.529069 0.388783 0.110 Uiso 1 1 calc R U . . .
C67 C 1.1420(4) 0.5700(3) 0.4216(4) 0.109(2) Uani 1 1 d . . . . .
H67 H 1.165024 0.587557 0.460806 0.130 Uiso 1 1 calc R U . . .
C68 C 1.0743(4) 0.5786(3) 0.4084(3) 0.097(2) Uani 1 1 d . . . . .
H68 H 1.050774 0.600816 0.439137 0.116 Uiso 1 1 calc R U . . .
C69 C 1.0406(3) 0.55440(19) 0.3495(2) 0.0606(12) Uani 1 1 d . . . . .
H69 H 0.994200 0.560513 0.340256 0.073 Uiso 1 1 calc R U . . .
C70 C 1.07295(17) 0.52082(15) 0.1530(2) 0.0381(8) Uani 1 1 d . . . . .
C71 C 1.0658(2) 0.49555(18) 0.0872(2) 0.0532(11) Uani 1 1 d . . . . .
H71 H 1.042374 0.460854 0.081046 0.064 Uiso 1 1 calc R U . . .
C72 C 1.0931(3) 0.5213(2) 0.0295(2) 0.0668(13) Uani 1 1 d . . . . .
H72 H 1.087686 0.503747 -0.014809 0.080 Uiso 1 1 calc R U . . .
C73 C 1.1276(2) 0.5720(2) 0.0376(3) 0.0692(14) Uani 1 1 d . . . . .
H73 H 1.145820 0.589159 -0.000924 0.083 Uiso 1 1 calc R U . . .
C74 C 1.1354(2) 0.5976(2) 0.1027(3) 0.0718(14) Uani 1 1 d . . . . .
H74 H 1.158908 0.632327 0.108224 0.086 Uiso 1 1 calc R U . . .
C75 C 1.1086(2) 0.57247(19) 0.1607(2) 0.0559(11) Uani 1 1 d . . . . .
H75 H 1.114461 0.590198 0.204799 0.067 Uiso 1 1 calc R U . . .
S1 S 0.38864(10) 0.29432(8) 0.05428(10) 0.1016(5) Uani 1 1 d . U . . .
O1 O 0.4541(3) 0.2859(4) 0.0196(4) 0.239(4) Uani 1 1 d . . . . .
O2 O 0.3507(3) 0.3416(2) 0.0251(3) 0.163(2) Uani 1 1 d . . . . .
O3 O 0.3958(3) 0.2845(3) 0.1264(3) 0.173(3) Uani 1 1 d . . . . .
C76 C 0.3516(7) 0.2354(5) 0.0190(6) 0.164(4) Uani 1 1 d . U . . .
F1 F 0.3699(5) 0.1867(2) 0.0370(4) 0.253(4) Uani 1 1 d . U . . .
F2 F 0.2845(4) 0.2381(4) 0.0481(4) 0.246(4) Uani 1 1 d . U . . .
F3 F 0.3372(5) 0.2360(3) -0.0492(3) 0.265(4) Uani 1 1 d . U . . .
O4 O 0.6610(2) 0.28255(17) 0.5143(2) 0.0972(13) Uani 1 1 d . . . . .
N1 N 0.6016(2) 0.33894(19) 0.5828(2) 0.0765(12) Uani 1 1 d . . . . .
C77 C 0.6197(3) 0.2903(3) 0.5563(3) 0.095(2) Uani 1 1 d . . . . .
H77 H 0.598136 0.257542 0.571627 0.115 Uiso 1 1 calc R U . . .
C78 C 0.6352(5) 0.3904(3) 0.5661(4) 0.129(3) Uani 1 1 d . . . . .
H78A H 0.680972 0.381667 0.556354 0.193 Uiso 1 1 calc R U . . .
H78B H 0.635786 0.416479 0.605541 0.193 Uiso 1 1 calc R U . . .
H78C H 0.611662 0.407949 0.525244 0.193 Uiso 1 1 calc R U . . .
C79 C 0.5490(5) 0.3442(4) 0.6308(5) 0.170(4) Uani 1 1 d . . . . .
H79A H 0.515007 0.315226 0.619906 0.256 Uiso 1 1 calc R U . . .
H79B H 0.528549 0.381754 0.625694 0.256 Uiso 1 1 calc R U . . .
H79C H 0.568309 0.339278 0.678581 0.256 Uiso 1 1 calc R U . . .
O5 O 0.2183(2) 0.3913(2) 0.2275(3) 0.1248(18) Uani 1 1 d . . . . .
N2 N 0.3205(2) 0.3799(2) 0.2915(3) 0.0906(15) Uani 1 1 d . . . . .
C80 C 0.2763(3) 0.3749(2) 0.2329(4) 0.095(2) Uani 1 1 d . . . . .
H80 H 0.292202 0.357121 0.193531 0.114 Uiso 1 1 calc R U . . .
C81 C 0.3006(5) 0.4053(4) 0.3539(4) 0.144(3) Uani 1 1 d . . . . .
H81A H 0.323568 0.441467 0.361748 0.216 Uiso 1 1 calc R U . . .
H81B H 0.312150 0.380065 0.393306 0.216 Uiso 1 1 calc R U . . .
H81C H 0.252390 0.411584 0.349267 0.216 Uiso 1 1 calc R U . . .
C82 C 0.3896(3) 0.3625(4) 0.2901(5) 0.159(4) Uani 1 1 d . . . . .
H82A H 0.400741 0.335184 0.327265 0.238 Uiso 1 1 calc R U . . .
H82B H 0.418543 0.395670 0.296800 0.238 Uiso 1 1 calc R U . . .
H82C H 0.395930 0.345108 0.245137 0.238 Uiso 1 1 calc R U . . .
O6 O 0.3667(5) 0.5283(3) 0.2735(4) 0.195(4) Uani 1 1 d . . . . .
N3 N 0.3448(4) 0.4955(3) 0.1609(4) 0.118(2) Uani 1 1 d . . . . .
C83 C 0.3320(8) 0.5155(4) 0.2222(7) 0.208(7) Uani 1 1 d . . . . .
H83 H 0.285907 0.520861 0.226649 0.249 Uiso 1 1 calc R U . . .
C84 C 0.4106(7) 0.4789(6) 0.1438(9) 0.285(9) Uani 1 1 d . . . . .
H84A H 0.425723 0.504654 0.108699 0.428 Uiso 1 1 calc R U . . .
H84B H 0.409096 0.440236 0.125515 0.428 Uiso 1 1 calc R U . . .
H84C H 0.441615 0.480518 0.185616 0.428 Uiso 1 1 calc R U . . .
C85 C 0.2932(7) 0.4848(6) 0.1099(6) 0.247(7) Uani 1 1 d . . . . .
H85A H 0.284222 0.444153 0.107542 0.370 Uiso 1 1 calc R U . . .
H85B H 0.305983 0.498029 0.064861 0.370 Uiso 1 1 calc R U . . .
H85C H 0.253045 0.504868 0.121435 0.370 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.4600(9) . ?
Ag1 P6 2.4705(9) . ?
Ag1 Cl1 2.7385(10) . ?
Ag1 Cl2 2.7617(10) . ?
Ag2 P3 2.4361(9) . ?
Ag2 P2 2.4487(9) . ?
Ag2 Cl2 2.7243(9) . ?
Ag2 Cl1 2.8118(10) . ?
Ag2 Ag3 3.2462(4) . ?
Ag3 P4 2.4433(9) . ?
Ag3 P5 2.4540(9) . ?
Ag3 Cl1 2.7040(10) . ?
Ag3 Cl2 2.7095(10) . ?
P1 C8 1.814(4) . ?
P1 C2 1.824(4) . ?
P1 C1 1.839(4) . ?
P2 C14 1.813(4) . ?
P2 C1 1.825(3) . ?
P2 C20 1.827(4) . ?
P3 C33 1.813(4) . ?
P3 C26 1.832(3) . ?
P3 C27 1.836(4) . ?
P4 C39 1.815(4) . ?
P4 C45 1.822(4) . ?
P4 C26 1.827(3) . ?
P5 C52 1.822(4) . ?
P5 C58 1.823(4) . ?
P5 C51 1.841(4) . ?
P6 C64 1.811(4) . ?
P6 C70 1.834(4) . ?
P6 C51 1.837(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C7 1.374(6) . ?
C2 C3 1.384(5) . ?
C3 C4 1.385(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.358(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.387(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.382(6) . ?
C8 C13 1.395(6) . ?
C9 C10 1.378(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.362(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.367(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.380(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C19 1.366(5) . ?
C14 C15 1.377(5) . ?
C15 C16 1.377(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.352(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.370(5) . ?
C20 C25 1.379(5) . ?
C21 C22 1.383(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.363(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.341(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(6) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.375(6) . ?
C27 C32 1.380(5) . ?
C28 C29 1.378(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.367(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.338(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.402(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.382(6) . ?
C33 C38 1.386(6) . ?
C34 C35 1.381(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.373(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.357(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.378(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C44 1.377(6) . ?
C39 C40 1.391(5) . ?
C40 C41 1.379(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.371(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.352(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.404(7) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C50 1.381(5) . ?
C45 C46 1.383(5) . ?
C46 C47 1.381(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.362(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.357(7) . ?
C48 H48 0.9300 . ?
C49 C50 1.386(6) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.380(5) . ?
C52 C57 1.384(5) . ?
C53 C54 1.393(6) . ?
C53 H53 0.9300 . ?
C54 C55 1.355(7) . ?
C54 H54 0.9300 . ?
C55 C56 1.351(7) . ?
C55 H55 0.9300 . ?
C56 C57 1.388(6) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C58 C59 1.365(6) . ?
C58 C63 1.396(6) . ?
C59 C60 1.403(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.344(9) . ?
C60 H60 0.9300 . ?
C61 C62 1.349(9) . ?
C61 H61 0.9300 . ?
C62 C63 1.379(7) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C64 C69 1.374(6) . ?
C64 C65 1.385(6) . ?
C65 C66 1.378(7) . ?
C65 H65 0.9300 . ?
C66 C67 1.375(9) . ?
C66 H66 0.9300 . ?
C67 C68 1.356(9) . ?
C67 H67 0.9300 . ?
C68 C69 1.370(7) . ?
C68 H68 0.9300 . ?
C69 H69 0.9300 . ?
C70 C71 1.374(6) . ?
C70 C75 1.390(5) . ?
C71 C72 1.393(6) . ?
C71 H71 0.9300 . ?
C72 C73 1.363(7) . ?
C72 H72 0.9300 . ?
C73 C74 1.365(7) . ?
C73 H73 0.9300 . ?
C74 C75 1.388(6) . ?
C74 H74 0.9300 . ?
C75 H75 0.9300 . ?
S1 O3 1.380(5) . ?
S1 O2 1.414(5) . ?
S1 O1 1.512(6) . ?
S1 C76 1.664(11) . ?
C76 F1 1.224(11) . ?
C76 F3 1.300(11) . ?
C76 F2 1.480(13) . ?
O4 C77 1.200(6) . ?
N1 C77 1.297(7) . ?
N1 C78 1.413(7) . ?
N1 C79 1.443(7) . ?
C77 H77 0.9300 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
O5 C80 1.203(7) . ?
N2 C80 1.359(8) . ?
N2 C81 1.407(8) . ?
N2 C82 1.424(7) . ?
C80 H80 0.9300 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
O6 C83 1.179(15) . ?
N3 C83 1.296(11) . ?
N3 C85 1.367(11) . ?
N3 C84 1.420(12) . ?
C83 H83 0.9300 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?

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
P1 Ag1 P6 137.60(3) . . ?
P1 Ag1 Cl1 111.41(3) . . ?
P6 Ag1 Cl1 103.42(3) . . ?
P1 Ag1 Cl2 103.39(3) . . ?
P6 Ag1 Cl2 101.23(3) . . ?
Cl1 Ag1 Cl2 87.94(3) . . ?
P3 Ag2 P2 122.25(3) . . ?
P3 Ag2 Cl2 129.17(3) . . ?
P2 Ag2 Cl2 96.02(3) . . ?
P3 Ag2 Cl1 95.07(3) . . ?
P2 Ag2 Cl1 124.73(3) . . ?
Cl2 Ag2 Cl1 87.21(3) . . ?
P3 Ag2 Ag3 89.32(2) . . ?
P2 Ag2 Ag3 147.24(2) . . ?
Cl2 Ag2 Ag3 53.11(2) . . ?
Cl1 Ag2 Ag3 52.42(2) . . ?
P4 Ag3 P5 130.44(3) . . ?
P4 Ag3 Cl1 103.87(3) . . ?
P5 Ag3 Cl1 111.81(3) . . ?
P4 Ag3 Cl2 117.17(3) . . ?
P5 Ag3 Cl2 96.68(3) . . ?
Cl1 Ag3 Cl2 89.72(3) . . ?
P4 Ag3 Ag2 85.04(2) . . ?
P5 Ag3 Ag2 143.78(2) . . ?
Cl1 Ag3 Ag2 55.50(2) . . ?
Cl2 Ag3 Ag2 53.53(2) . . ?
C8 P1 C2 106.22(17) . . ?
C8 P1 C1 103.41(17) . . ?
C2 P1 C1 101.06(17) . . ?
C8 P1 Ag1 116.82(13) . . ?
C2 P1 Ag1 115.17(12) . . ?
C1 P1 Ag1 112.38(12) . . ?
C14 P2 C1 106.74(17) . . ?
C14 P2 C20 103.81(17) . . ?
C1 P2 C20 102.08(16) . . ?
C14 P2 Ag2 119.06(12) . . ?
C1 P2 Ag2 114.31(12) . . ?
C20 P2 Ag2 109.03(12) . . ?
C33 P3 C26 106.25(17) . . ?
C33 P3 C27 104.24(17) . . ?
C26 P3 C27 101.96(17) . . ?
C33 P3 Ag2 117.80(13) . . ?
C26 P3 Ag2 115.68(11) . . ?
C27 P3 Ag2 109.19(12) . . ?
C39 P4 C45 105.56(17) . . ?
C39 P4 C26 105.36(17) . . ?
C45 P4 C26 100.83(16) . . ?
C39 P4 Ag3 116.27(13) . . ?
C45 P4 Ag3 113.61(12) . . ?
C26 P4 Ag3 113.68(12) . . ?
C52 P5 C58 104.19(17) . . ?
C52 P5 C51 101.73(16) . . ?
C58 P5 C51 107.42(17) . . ?
C52 P5 Ag3 111.72(12) . . ?
C58 P5 Ag3 113.07(13) . . ?
C51 P5 Ag3 117.36(11) . . ?
C64 P6 C70 103.27(17) . . ?
C64 P6 C51 104.33(17) . . ?
C70 P6 C51 102.43(16) . . ?
C64 P6 Ag1 117.79(13) . . ?
C70 P6 Ag1 111.93(12) . . ?
C51 P6 Ag1 115.32(11) . . ?
Ag3 Cl1 Ag1 81.57(3) . . ?
Ag3 Cl1 Ag2 72.07(2) . . ?
Ag1 Cl1 Ag2 75.34(3) . . ?
Ag3 Cl2 Ag2 73.37(2) . . ?
Ag3 Cl2 Ag1 81.05(3) . . ?
Ag2 Cl2 Ag1 76.39(2) . . ?
P2 C1 P1 114.59(19) . . ?
P2 C1 H1A 108.6 . . ?
P1 C1 H1A 108.6 . . ?
P2 C1 H1B 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C7 C2 C3 118.1(4) . . ?
C7 C2 P1 123.7(3) . . ?
C3 C2 P1 118.2(3) . . ?
C2 C3 C4 120.5(4) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 120.9(4) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 C7 119.0(5) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C2 C7 C6 121.7(4) . . ?
C2 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C9 C8 C13 118.3(4) . . ?
C9 C8 P1 123.8(3) . . ?
C13 C8 P1 117.8(3) . . ?
C10 C9 C8 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 121.2(5) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C12 119.1(5) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C13 121.0(5) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C8 120.1(4) . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C19 C14 C15 118.6(4) . . ?
C19 C14 P2 117.1(3) . . ?
C15 C14 P2 124.2(3) . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 121.3(4) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 119.2(4) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C17 C18 C19 120.1(5) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 120.6(4) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C25 118.3(4) . . ?
C21 C20 P2 118.1(3) . . ?
C25 C20 P2 123.3(3) . . ?
C20 C21 C22 121.1(4) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C23 C22 C21 119.2(5) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C24 C23 C22 120.4(5) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.9(5) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C20 120.0(4) . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
P4 C26 P3 113.55(18) . . ?
P4 C26 H26A 108.9 . . ?
P3 C26 H26A 108.9 . . ?
P4 C26 H26B 108.9 . . ?
P3 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
C28 C27 C32 118.8(4) . . ?
C28 C27 P3 118.3(3) . . ?
C32 C27 P3 122.7(3) . . ?
C27 C28 C29 120.6(5) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 120.3(5) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C31 C30 C29 120.1(5) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.9(5) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C27 C32 C31 119.4(5) . . ?
C27 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C38 118.8(4) . . ?
C34 C33 P3 118.2(3) . . ?
C38 C33 P3 122.9(3) . . ?
C35 C34 C33 120.6(5) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C36 C35 C34 119.1(5) . . ?
C36 C35 H35 120.5 . . ?
C34 C35 H35 120.5 . . ?
C37 C36 C35 121.4(5) . . ?
C37 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
C36 C37 C38 119.6(5) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C37 C38 C33 120.5(5) . . ?
C37 C38 H38 119.8 . . ?
C33 C38 H38 119.8 . . ?
C44 C39 C40 118.5(4) . . ?
C44 C39 P4 117.8(3) . . ?
C40 C39 P4 123.8(3) . . ?
C41 C40 C39 120.6(4) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 120.0(5) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.7(5) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C42 C43 C44 119.8(5) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 120.4(5) . . ?
C39 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C50 C45 C46 118.0(4) . . ?
C50 C45 P4 118.3(3) . . ?
C46 C45 P4 123.6(3) . . ?
C47 C46 C45 120.7(4) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C48 C47 C46 120.4(5) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C49 C48 C47 119.8(4) . . ?
C49 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C48 C49 C50 120.5(4) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C45 C50 C49 120.6(4) . . ?
C45 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
P6 C51 P5 116.39(18) . . ?
P6 C51 H51A 108.2 . . ?
P5 C51 H51A 108.2 . . ?
P6 C51 H51B 108.2 . . ?
P5 C51 H51B 108.2 . . ?
H51A C51 H51B 107.3 . . ?
C53 C52 C57 118.2(4) . . ?
C53 C52 P5 118.4(3) . . ?
C57 C52 P5 123.4(3) . . ?
C52 C53 C54 120.4(4) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C55 C54 C53 120.5(4) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C56 C55 C54 119.8(4) . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C55 C56 C57 121.0(5) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C52 C57 C56 120.1(4) . . ?
C52 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C59 C58 C63 118.4(4) . . ?
C59 C58 P5 124.1(4) . . ?
C63 C58 P5 117.3(3) . . ?
C58 C59 C60 119.8(5) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C61 C60 C59 120.6(6) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C60 C61 C62 120.6(6) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C61 C62 C63 120.1(6) . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 C58 120.5(5) . . ?
C62 C63 H63 119.7 . . ?
C58 C63 H63 119.7 . . ?
C69 C64 C65 119.3(4) . . ?
C69 C64 P6 119.2(3) . . ?
C65 C64 P6 121.6(3) . . ?
C66 C65 C64 119.8(5) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 H65 120.1 . . ?
C67 C66 C65 119.4(5) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C68 C67 C66 121.1(5) . . ?
C68 C67 H67 119.5 . . ?
C66 C67 H67 119.5 . . ?
C67 C68 C69 119.6(6) . . ?
C67 C68 H68 120.2 . . ?
C69 C68 H68 120.2 . . ?
C68 C69 C64 120.8(5) . . ?
C68 C69 H69 119.6 . . ?
C64 C69 H69 119.6 . . ?
C71 C70 C75 118.4(4) . . ?
C71 C70 P6 120.3(3) . . ?
C75 C70 P6 121.0(3) . . ?
C70 C71 C72 120.8(4) . . ?
C70 C71 H71 119.6 . . ?
C72 C71 H71 119.6 . . ?
C73 C72 C71 120.3(5) . . ?
C73 C72 H72 119.9 . . ?
C71 C72 H72 119.9 . . ?
C72 C73 C74 119.7(4) . . ?
C72 C73 H73 120.2 . . ?
C74 C73 H73 120.2 . . ?
C73 C74 C75 120.7(4) . . ?
C73 C74 H74 119.7 . . ?
C75 C74 H74 119.7 . . ?
C74 C75 C70 120.2(4) . . ?
C74 C75 H75 119.9 . . ?
C70 C75 H75 119.9 . . ?
O3 S1 O2 121.4(5) . . ?
O3 S1 O1 112.9(4) . . ?
O2 S1 O1 112.0(4) . . ?
O3 S1 C76 105.5(5) . . ?
O2 S1 C76 106.2(5) . . ?
O1 S1 C76 94.7(6) . . ?
F1 C76 F3 108.8(12) . . ?
F1 C76 F2 100.8(9) . . ?
F3 C76 F2 104.0(10) . . ?
F1 C76 S1 122.4(9) . . ?
F3 C76 S1 116.3(8) . . ?
F2 C76 S1 101.1(9) . . ?
C77 N1 C78 119.8(5) . . ?
C77 N1 C79 123.7(5) . . ?
C78 N1 C79 116.5(6) . . ?
O4 C77 N1 127.8(6) . . ?
O4 C77 H77 116.1 . . ?
N1 C77 H77 116.1 . . ?
N1 C78 H78A 109.5 . . ?
N1 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N1 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
N1 C79 H79A 109.5 . . ?
N1 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
N1 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C80 N2 C81 121.0(6) . . ?
C80 N2 C82 120.8(7) . . ?
C81 N2 C82 118.1(7) . . ?
O5 C80 N2 125.8(7) . . ?
O5 C80 H80 117.1 . . ?
N2 C80 H80 117.1 . . ?
N2 C81 H81A 109.5 . . ?
N2 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N2 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
N2 C82 H82A 109.5 . . ?
N2 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
N2 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C83 N3 C85 120.5(12) . . ?
C83 N3 C84 123.7(12) . . ?
C85 N3 C84 115.7(10) . . ?
O6 C83 N3 133.2(16) . . ?
O6 C83 H83 113.4 . . ?
N3 C83 H83 113.4 . . ?
N3 C84 H84A 109.5 . . ?
N3 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
N3 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N3 C85 H85A 109.5 . . ?
N3 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
N3 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?

_refine_diff_density_max         1.447
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.070

