# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_bip56m_a
_database_code_depnum_ccdc_archive 'CCDC 1442698'
_audit_update_record             
;
2015-12-15 deposited with the CCDC.
2018-05-23 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         ?
_chemical_formula_sum            'C30 H22 Ag2 F6 N6 O6 S2'
_chemical_formula_weight         956.39

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.3470(4)
_cell_length_b                   10.9429(7)
_cell_length_c                   13.4498(9)
_cell_angle_alpha                68.090(2)
_cell_angle_beta                 84.194(2)
_cell_angle_gamma                79.220(2)
_cell_volume                     850.88(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3766
_cell_measurement_theta_min      3.035
_cell_measurement_theta_max      28.380

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_F_000             472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    1.359
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4888
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Venture D8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17787
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.035
_diffrn_reflns_theta_max         28.380
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             4218
_reflns_number_gt                3766
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4218
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.1090
_refine_ls_wR_factor_gt          0.1017
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_restrained_S_all      0.842
_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 0.79121(3) 0.61348(2) 0.44437(2) 0.02073(10) Uani 1 1 d . . . . .
C1 C 1.0813(4) 0.5298(3) 0.7408(2) 0.0168(5) Uani 1 1 d . . . . .
H1 H 1.1936 0.4789 0.7881 0.020 Uiso 1 1 calc R U . . .
N1 N 1.0616(3) 0.5279(2) 0.64309(17) 0.0162(4) Uani 1 1 d . . . . .
C2 C 0.9134(4) 0.6171(2) 0.76160(19) 0.0153(5) Uani 1 1 d . . . . .
N2 N 0.8874(3) 0.6108(2) 0.60005(16) 0.0150(4) Uani 1 1 d . . . . .
C3 C 0.8580(4) 0.6566(3) 0.8551(2) 0.0181(5) Uani 1 1 d . . . . .
N3 N 0.7959(3) 0.6658(2) 0.67157(16) 0.0137(4) Uani 1 1 d . . . . .
C4 C 1.0045(4) 0.7138(3) 0.8884(2) 0.0255(6) Uani 1 1 d . . . . .
H4 H 1.1408 0.7231 0.8527 0.031 Uiso 1 1 calc R U . . .
C5 C 0.9487(5) 0.7568(3) 0.9739(3) 0.0324(7) Uani 1 1 d . . . . .
H5 H 1.0469 0.7968 0.9958 0.039 Uiso 1 1 calc R U . . .
C6 C 0.7518(5) 0.7421(3) 1.0275(2) 0.0305(6) Uani 1 1 d . . . . .
H6 H 0.7156 0.7714 1.0861 0.037 Uiso 1 1 calc R U . . .
C7 C 0.6073(5) 0.6844(3) 0.9953(2) 0.0295(6) Uani 1 1 d . . . . .
H7 H 0.4718 0.6745 1.0319 0.035 Uiso 1 1 calc R U . . .
C8 C 0.6600(4) 0.6411(3) 0.9100(2) 0.0241(6) Uani 1 1 d . . . . .
H8 H 0.5612 0.6008 0.8887 0.029 Uiso 1 1 calc R U . . .
C9 C 0.6020(4) 0.7615(2) 0.6458(2) 0.0144(5) Uani 1 1 d . . . . .
C10 C 0.4387(4) 0.7345(2) 0.6000(2) 0.0172(5) Uani 1 1 d . . . . .
H10 H 0.4532 0.6539 0.5868 0.021 Uiso 1 1 calc R U . . .
C11 C 0.2525(4) 0.8288(3) 0.5739(2) 0.0221(5) Uani 1 1 d . . . . .
H11 H 0.1405 0.8143 0.5398 0.027 Uiso 1 1 calc R U . . .
C12 C 0.2303(5) 0.9436(3) 0.5975(2) 0.0245(6) Uani 1 1 d . . . . .
H12 H 0.1004 1.0055 0.5824 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3954(5) 0.9687(3) 0.6429(2) 0.0251(6) Uani 1 1 d . . . . .
H13 H 0.3794 1.0484 0.6576 0.030 Uiso 1 1 calc R U . . .
C14 C 0.5850(4) 0.8775(3) 0.6671(2) 0.0203(5) Uani 1 1 d . . . . .
H14 H 0.7001 0.8945 0.6975 0.024 Uiso 1 1 calc R U . . .
C100 C 0.1881(4) 0.8385(3) 0.2206(2) 0.0244(6) Uani 1 1 d . . . . .
S100 S 0.36059(10) 0.69128(6) 0.30589(5) 0.01849(15) Uani 1 1 d . . . . .
F100 F 0.1544(3) 0.9352(2) 0.26098(19) 0.0441(5) Uani 1 1 d . . . . .
O101 O 0.2408(4) 0.6531(2) 0.40684(18) 0.0362(5) Uani 1 1 d . . . . .
F101 F -0.0023(3) 0.8094(2) 0.2127(2) 0.0466(5) Uani 1 1 d . . . . .
O102 O 0.3866(3) 0.59969(19) 0.25081(17) 0.0258(4) Uani 1 1 d . . . . .
F102 F 0.2742(3) 0.88603(19) 0.12293(16) 0.0410(5) Uani 1 1 d . . . . .
O100 O 0.5539(3) 0.7441(2) 0.30740(18) 0.0286(5) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.228(2) . ?
Ag1 N1 2.290(2) 2_766 ?
Ag1 O100 2.344(2) . ?
Ag1 Ag1 3.3164(4) 2_766 ?
C1 N1 1.341(3) . ?
C1 C2 1.372(4) . ?
C1 H1 0.9500 . ?
N1 N2 1.320(3) . ?
N1 Ag1 2.290(2) 2_766 ?
C2 N3 1.363(3) . ?
C2 C3 1.467(4) . ?
N2 N3 1.346(3) . ?
C3 C8 1.397(4) . ?
C3 C4 1.403(4) . ?
N3 C9 1.437(3) . ?
C4 C5 1.388(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(4) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.386(3) . ?
C9 C14 1.385(4) . ?
C10 C11 1.393(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.381(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C100 F102 1.321(4) . ?
C100 F101 1.329(3) . ?
C100 F100 1.335(3) . ?
C100 S100 1.823(3) . ?
S100 O101 1.443(2) . ?
S100 O100 1.4556(19) . ?
S100 O102 1.431(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
N2 Ag1 N1 127.41(7) . 2_766 ?
N2 Ag1 O100 139.02(8) . . ?
N1 Ag1 O100 93.46(8) 2_766 . ?
N2 Ag1 Ag1 64.14(5) . 2_766 ?
N1 Ag1 Ag1 63.32(5) 2_766 2_766 ?
O100 Ag1 Ag1 156.07(6) . 2_766 ?
N1 C1 C2 109.2(2) . . ?
N1 C1 H1 125.4 . . ?
C2 C1 H1 125.4 . . ?
N2 N1 C1 109.0(2) . . ?
N2 N1 Ag1 114.73(15) . 2_766 ?
C1 N1 Ag1 134.52(17) . 2_766 ?
N3 C2 C1 104.2(2) . . ?
N3 C2 C3 124.2(2) . . ?
C1 C2 C3 131.6(2) . . ?
N1 N2 N3 107.37(19) . . ?
N1 N2 Ag1 117.50(15) . . ?
N3 N2 Ag1 134.69(16) . . ?
C8 C3 C4 119.5(2) . . ?
C8 C3 C2 121.1(2) . . ?
C4 C3 C2 119.4(2) . . ?
N2 N3 C2 110.2(2) . . ?
N2 N3 C9 119.7(2) . . ?
C2 N3 C9 130.1(2) . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 119.8(3) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 C6 120.2(3) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C3 120.1(3) . . ?
C7 C8 H8 119.9 . . ?
C3 C8 H8 119.9 . . ?
C10 C9 C14 122.3(2) . . ?
C10 C9 N3 118.7(2) . . ?
C14 C9 N3 119.0(2) . . ?
C9 C10 C11 118.3(2) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
C12 C11 C10 120.2(2) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.6(3) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C9 118.5(3) . . ?
C13 C14 H14 120.8 . . ?
C9 C14 H14 120.8 . . ?
F102 C100 F101 108.1(3) . . ?
F102 C100 F100 108.1(3) . . ?
F101 C100 F100 107.5(2) . . ?
F102 C100 S100 111.31(19) . . ?
F101 C100 S100 110.7(2) . . ?
F100 C100 S100 111.0(2) . . ?
O101 S100 O100 114.41(14) . . ?
O101 S100 O102 115.71(12) . . ?
O100 S100 O102 114.47(13) . . ?
O101 S100 C100 103.37(15) . . ?
O100 S100 C100 102.28(12) . . ?
O102 S100 C100 104.28(13) . . ?
S100 O100 Ag1 116.31(11) . . ?

_refine_diff_density_max         0.529
_refine_diff_density_min         -1.449
_refine_diff_density_rms         0.132

####################################################################### 
# 
# 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_bip257_a
_database_code_depnum_ccdc_archive 'CCDC 1832065'
_audit_update_record             
;
2018-03-23 deposited with the CCDC.
2018-05-23 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         ?
_chemical_formula_sum            'C15 H12 F3 N3 O3 S'
_chemical_formula_weight         371.34

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   5.7679(5)
_cell_length_b                   20.4230(16)
_cell_length_c                   13.8248(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.623(3)
_cell_angle_gamma                90
_cell_volume                     1625.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3522
_cell_measurement_theta_min      2.481
_cell_measurement_theta_max      30.527

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    0.252
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6850
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'omega + phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15491
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.481
_diffrn_reflns_theta_max         30.527
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4704
_reflns_number_gt                3522
_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       'APEX3 (Bruker, 2015)'
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT+ (Bruker, 2009)'
_computing_structure_solution    'intrinsic phasing'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3D, Version 4.0 (Brandenburg, 2014)'
_computing_publication_material  shelxle
_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)+(0.0531P)²+1.1665P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4704
_refine_ls_number_parameters     230
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1221
_refine_ls_wR_factor_gt          0.1105
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_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
C1 C 0.5799(3) 0.60321(9) 0.54632(13) 0.0133(4) Uani 1 1 d . . . . .
H1 H 0.6289 0.5633 0.5764 0.016 Uiso 1 1 calc R U . . .
N1 N 0.4042(3) 0.61162(8) 0.47914(12) 0.0145(3) Uani 1 1 d . . . . .
C2 C 0.6744(3) 0.66423(9) 0.56270(13) 0.0108(3) Uani 1 1 d . . . . .
N2 N 0.3773(3) 0.67275(8) 0.45057(11) 0.0140(3) Uani 1 1 d . . . . .
C3 C 0.8729(3) 0.68436(9) 0.62800(13) 0.0103(3) Uani 1 1 d . . . . .
N3 N 0.5432(3) 0.70464(7) 0.50248(11) 0.0110(3) Uani 1 1 d . . . . .
C4 C 1.0471(3) 0.63772(9) 0.64833(13) 0.0126(4) Uani 1 1 d . . . . .
H4 H 1.0340 0.5953 0.6202 0.015 Uiso 1 1 calc R U . . .
C5 C 1.2386(3) 0.65341(10) 0.70959(13) 0.0152(4) Uani 1 1 d . . . . .
H5 H 1.3557 0.6216 0.7241 0.018 Uiso 1 1 calc R U . . .
C9 C 0.5743(3) 0.77317(9) 0.48083(13) 0.0113(3) Uani 1 1 d . . . . .
C8 C 0.8907(3) 0.74609(9) 0.67117(13) 0.0126(4) Uani 1 1 d . . . . .
H8 H 0.7705 0.7774 0.6593 0.015 Uiso 1 1 calc R U . . .
C7 C 1.0845(3) 0.76156(9) 0.73143(13) 0.0152(4) Uani 1 1 d . . . . .
H7 H 1.0978 0.8037 0.7602 0.018 Uiso 1 1 calc R U . . .
C6 C 1.2595(3) 0.71551(10) 0.74977(13) 0.0153(4) Uani 1 1 d . . . . .
H6 H 1.3935 0.7266 0.7899 0.018 Uiso 1 1 calc R U . . .
C10 C 0.4065(3) 0.81779(9) 0.50473(14) 0.0150(4) Uani 1 1 d . . . . .
H10 H 0.2767 0.8043 0.5388 0.018 Uiso 1 1 calc R U . . .
F10 F 0.0579(4) 0.57917(8) 0.18055(12) 0.0615(6) Uani 1 1 d . . . . .
O10 O 0.1111(2) 0.52772(7) 0.38028(11) 0.0220(3) Uani 1 1 d . . . . .
C11 C 0.4328(4) 0.88251(10) 0.47768(15) 0.0189(4) Uani 1 1 d . . . . .
H11 H 0.3197 0.9140 0.4930 0.023 Uiso 1 1 calc R U . . .
F11 F -0.0803(3) 0.48207(6) 0.18801(10) 0.0400(4) Uani 1 1 d . . . . .
O11 O -0.1504(3) 0.62063(6) 0.36085(10) 0.0204(3) Uani 1 1 d . . . . .
C12 C 0.6245(4) 0.90148(10) 0.42816(15) 0.0202(4) Uani 1 1 d . . . . .
H12 H 0.6413 0.9459 0.4096 0.024 Uiso 1 1 calc R U . . .
F12 F -0.3104(4) 0.56405(10) 0.17195(12) 0.0717(6) Uani 1 1 d . . . . .
O12 O -0.3041(2) 0.50915(7) 0.36947(11) 0.0216(3) Uani 1 1 d . . . . .
C13 C 0.7911(4) 0.85594(10) 0.40577(14) 0.0189(4) Uani 1 1 d . . . . .
H13 H 0.9218 0.8694 0.3722 0.023 Uiso 1 1 calc R U . . .
C14 C 0.7679(3) 0.79072(9) 0.43226(13) 0.0143(4) Uani 1 1 d . . . . .
H14 H 0.8813 0.7591 0.4175 0.017 Uiso 1 1 calc R U . . .
C100 C -0.1116(5) 0.54378(11) 0.21492(16) 0.0300(5) Uani 1 1 d . . . . .
H100 H 0.308(5) 0.5817(13) 0.449(2) 0.039(8) Uiso 1 1 d . . . . .
S100 S -0.11717(8) 0.55164(2) 0.34627(3) 0.01180(12) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.342(2) . ?
C1 C2 1.373(2) . ?
C1 H1 0.9500 . ?
N1 N2 1.316(2) . ?
N1 H100 0.91(3) . ?
C2 N3 1.366(2) . ?
C2 C3 1.471(3) . ?
N2 N3 1.330(2) . ?
C3 C8 1.396(2) . ?
C3 C4 1.400(3) . ?
N3 C9 1.445(2) . ?
C4 C5 1.386(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(3) . ?
C5 H5 0.9500 . ?
C9 C10 1.385(3) . ?
C9 C14 1.386(3) . ?
C8 C7 1.388(3) . ?
C8 H8 0.9500 . ?
C7 C6 1.391(3) . ?
C7 H7 0.9500 . ?
C6 H6 0.9500 . ?
C10 C11 1.385(3) . ?
C10 H10 0.9500 . ?
F10 C100 1.327(3) . ?
O10 S100 1.4543(15) . ?
C11 C12 1.392(3) . ?
C11 H11 0.9500 . ?
F11 C100 1.330(3) . ?
O11 S100 1.4379(14) . ?
C12 C13 1.386(3) . ?
C12 H12 0.9500 . ?
F12 C100 1.324(3) . ?
O12 S100 1.4360(14) . ?
C13 C14 1.390(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C100 S100 1.825(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
N1 C1 C2 105.82(17) . . ?
N1 C1 H1 127.1 . . ?
C2 C1 H1 127.1 . . ?
N2 N1 C1 113.51(16) . . ?
N2 N1 H100 116.5(18) . . ?
C1 N1 H100 129.9(18) . . ?
N3 C2 C1 104.41(16) . . ?
N3 C2 C3 125.78(16) . . ?
C1 C2 C3 129.80(17) . . ?
N1 N2 N3 103.62(15) . . ?
C8 C3 C4 119.77(17) . . ?
C8 C3 C2 123.22(16) . . ?
C4 C3 C2 116.99(16) . . ?
N2 N3 C2 112.64(15) . . ?
N2 N3 C9 117.21(14) . . ?
C2 N3 C9 129.79(15) . . ?
C5 C4 C3 119.95(17) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.12(17) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C10 C9 C14 122.83(17) . . ?
C10 C9 N3 119.35(16) . . ?
C14 C9 N3 117.74(16) . . ?
C7 C8 C3 119.79(17) . . ?
C7 C8 H8 120.1 . . ?
C3 C8 H8 120.1 . . ?
C8 C7 C6 120.20(17) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C5 C6 C7 120.11(17) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C9 C10 C11 118.26(18) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
C10 C11 C12 120.19(19) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.43(18) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 120.28(19) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C9 C14 C13 118.01(18) . . ?
C9 C14 H14 121.0 . . ?
C13 C14 H14 121.0 . . ?
F12 C100 F10 107.8(2) . . ?
F12 C100 F11 107.4(2) . . ?
F10 C100 F11 107.5(2) . . ?
F12 C100 S100 110.45(17) . . ?
F10 C100 S100 111.59(17) . . ?
F11 C100 S100 111.90(15) . . ?
O12 S100 O11 116.90(8) . . ?
O12 S100 O10 113.70(9) . . ?
O11 S100 O10 114.18(9) . . ?
O12 S100 C100 103.29(11) . . ?
O11 S100 C100 103.68(9) . . ?
O10 S100 C100 102.68(11) . . ?

_refine_diff_density_max         0.376
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.084

####################################################################### 
# 
# 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_bip406_b
_database_code_depnum_ccdc_archive 'CCDC 1832060'
_audit_update_record             
;
2018-03-23 deposited with the CCDC.
2018-05-23 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         ?
_chemical_formula_sum            'C63 H52 Ag3 F9 N12 O10 S3'
_chemical_formula_weight         1727.95

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_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'

_cell_length_a                   11.3183(12)
_cell_length_b                   12.0408(12)
_cell_length_c                   13.8230(13)
_cell_angle_alpha                65.850(4)
_cell_angle_beta                 89.910(4)
_cell_angle_gamma                75.722(4)
_cell_volume                     1655.3(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18554
_cell_measurement_theta_min      2.293
_cell_measurement_theta_max      33.276

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_F_000             864
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    1.067
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6154
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'omega + phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39132
_diffrn_reflns_av_unetI/netI     0.0646
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.293
_diffrn_reflns_theta_max         33.276
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             21828
_reflns_number_gt                18554
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.998

_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       'APEX3 (Bruker, 2015)'
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT+ (Bruker, 2009)'
_computing_structure_solution    'intrinsic phasing'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3D, Version 4.0 (Brandenburg, 2014)'
_computing_publication_material  shelxle
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0347P)²+1.0079P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.305(18)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         21828
_refine_ls_number_parameters     984
_refine_ls_number_restraints     377
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0431
_refine_ls_wR_factor_ref         0.0879
_refine_ls_wR_factor_gt          0.0826
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.005
_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
C1_4 C 0.3896(10) 0.1862(10) 0.7981(7) 0.025(2) Uani 0.5 1 d D U P A 2
F1_4 F 0.2605(10) 0.2220(16) 0.7867(14) 0.071(4) Uani 0.5 1 d D U P A 2
F2_4 F 0.3916(8) 0.1225(8) 0.9152(6) 0.0298(19) Uani 0.5 1 d D U P A 2
F3_4 F 0.4381(10) 0.1340(7) 0.7321(6) 0.052(2) Uani 0.5 1 d D U P A 2
S1_4 S 0.4382(5) 0.3284(4) 0.7713(5) 0.0220(9) Uani 0.5 1 d D U P A 2
O1_4 O 0.389(2) 0.4135(18) 0.6642(13) 0.040(5) Uani 0.5 1 d D U P A 2
O2_4 O 0.3922(13) 0.3697(9) 0.8481(7) 0.060(4) Uani 0.5 1 d D U P A 2
O3_4 O 0.5673(8) 0.2770(12) 0.7817(15) 0.087(5) Uani 0.5 1 d D U P A 2
C1_3 C 0.3379(9) 0.2226(8) 0.8315(8) 0.028(2) Uani 0.5 1 d D U P A 1
F1_3 F 0.4280(12) 0.0984(9) 0.8955(8) 0.049(3) Uani 0.5 1 d D U P A 1
F2_3 F 0.2764(13) 0.1894(13) 0.7683(13) 0.064(4) Uani 0.5 1 d D U P A 1
F3_3 F 0.2641(10) 0.3034(8) 0.8660(8) 0.086(4) Uani 0.5 1 d D U P A 1
S1_3 S 0.4470(5) 0.3009(5) 0.7555(4) 0.0350(12) Uani 0.5 1 d D U P A 1
O1_3 O 0.511(2) 0.3205(19) 0.8296(9) 0.117(6) Uani 0.5 1 d D U P A 1
O2_3 O 0.5143(11) 0.2034(10) 0.7247(8) 0.071(3) Uani 0.5 1 d D U P A 1
O3_3 O 0.367(2) 0.4079(17) 0.6659(11) 0.031(4) Uani 0.5 1 d D U P A 1
Ag1 Ag 0.71347(3) 0.38930(3) 0.34222(2) 0.01586(7) Uani 1 1 d . . . . .
C1C C 0.6163(5) 0.7074(4) 0.5267(4) 0.0128(9) Uani 1 1 d . . . . .
H1C H 0.6763 0.6995 0.4801 0.015 Uiso 1 1 calc R U . . .
Ag2 Ag 0.28825(3) 0.62408(3) 0.66490(2) 0.01659(8) Uani 1 1 d . . . . .
C2C C 0.6076(4) 0.7803(4) 0.5828(3) 0.0108(8) Uani 1 1 d . . . . .
C3C C 0.6818(4) 0.8652(4) 0.5830(3) 0.0135(9) Uani 1 1 d . . . . .
S004 S 0.56389(12) 0.68410(12) 0.25009(10) 0.0178(2) Uani 1 1 d . . . . .
C4C C 0.8048(4) 0.8329(5) 0.5685(4) 0.0146(9) Uani 1 1 d . . . . .
H4C H 0.8397 0.7562 0.5621 0.017 Uiso 1 1 calc R U . . .
S005 S 0.12193(11) 0.60940(12) 0.46232(9) 0.0218(2) Uani 1 1 d . . . . .
C5C C 0.8769(5) 0.9131(5) 0.5633(4) 0.0204(10) Uani 1 1 d . . . . .
H5C H 0.9611 0.8911 0.5533 0.025 Uiso 1 1 calc R U . . .
C6C C 0.8264(5) 1.0256(5) 0.5727(4) 0.0233(11) Uani 1 1 d . . . . .
H6C H 0.8760 1.0798 0.5696 0.028 Uiso 1 1 calc R U . . .
F007 F 0.5304(4) 0.9164(3) 0.1089(3) 0.0375(9) Uani 1 1 d . . . . .
C7C C 0.7026(5) 1.0581(5) 0.5865(4) 0.0204(10) Uani 1 1 d . . . . .
H7C H 0.6674 1.1351 0.5923 0.024 Uiso 1 1 calc R U . . .
F009 F 0.5876(5) 0.8833(4) 0.2692(3) 0.0516(12) Uani 1 1 d . . . . .
C9C C 0.4584(4) 0.8045(4) 0.7160(4) 0.0117(8) Uani 1 1 d . . . . .
C8C C 0.6309(5) 0.9779(5) 0.5919(4) 0.0150(9) Uani 1 1 d . . . . .
H8C H 0.5466 1.0000 0.6016 0.018 Uiso 1 1 calc R U . . .
F00B F 0.7160(3) 0.8209(4) 0.1765(3) 0.0481(10) Uani 1 1 d . . . . .
O00C O 0.6553(4) 0.6041(3) 0.3416(3) 0.0229(8) Uani 1 1 d . . . . .
O00E O 0.1511(3) 0.5007(3) 0.4383(3) 0.0273(8) Uani 1 1 d . . . . .
F00H F 0.1126(5) 0.7589(4) 0.2608(3) 0.0644(13) Uani 1 1 d . . . . .
O00K O 0.2253(4) 0.6550(4) 0.4767(3) 0.0293(9) Uani 1 1 d . . . . .
O00M O 0.0354(4) 0.6069(5) 0.5388(3) 0.0390(10) Uani 1 1 d . . . . .
O00N O 0.5743(4) 0.6457(4) 0.1639(3) 0.0295(9) Uani 1 1 d . . . . .
F00O F -0.0077(4) 0.8431(4) 0.3489(4) 0.0572(12) Uani 1 1 d . . . . .
O00P O 0.4423(4) 0.7136(4) 0.2799(3) 0.0347(9) Uani 1 1 d . . . . .
F00V F -0.0537(4) 0.7060(4) 0.3063(4) 0.0663(14) Uani 1 1 d . . . . .
C10C C 0.5359(5) 0.7790(4) 0.8044(4) 0.0154(9) Uani 1 1 d . . . . .
H10C H 0.6205 0.7372 0.8115 0.018 Uiso 1 1 calc R U . . .
C12C C 0.3626(5) 0.8754(5) 0.8707(5) 0.0282(13) Uani 1 1 d . . . . .
H12C H 0.3293 0.8995 0.9246 0.034 Uiso 1 1 calc R U . . .
C11C C 0.4869(5) 0.8160(5) 0.8825(4) 0.0211(10) Uani 1 1 d . . . . .
H11C H 0.5382 0.8006 0.9435 0.025 Uiso 1 1 calc R U . . .
C14C C 0.3340(5) 0.8659(5) 0.7017(5) 0.0207(11) Uani 1 1 d . . . . .
H14C H 0.2831 0.8839 0.6396 0.025 Uiso 1 1 calc R U . . .
C13C C 0.2867(5) 0.9001(6) 0.7823(5) 0.0294(13) Uani 1 1 d . . . . .
H13C H 0.2018 0.9405 0.7760 0.035 Uiso 1 1 calc R U . . .
C1A C 0.9616(4) 0.4483(5) 0.2407(4) 0.0153(9) Uani 1 1 d . . . . .
H1A H 0.9606 0.5135 0.2628 0.018 Uiso 1 1 calc R U . . .
N1A N 1.0092(3) 0.3146(4) 0.1709(3) 0.0113(7) Uani 1 1 d . . . . .
N1B N 0.4978(3) 0.2511(4) 0.3601(3) 0.0099(7) Uani 1 1 d . . . . .
C1B C 0.3859(4) 0.2981(4) 0.4711(4) 0.0135(9) Uani 1 1 d . . . . .
H1B H 0.3255 0.3010 0.5184 0.016 Uiso 1 1 calc R U . . .
N1D N -0.0058(4) 0.7073(4) 0.8338(3) 0.0129(7) Uani 1 1 d . . . . .
C1D C 0.0458(5) 0.5686(5) 0.7694(4) 0.0155(9) Uani 1 1 d . U . . .
H1D H 0.0484 0.5009 0.7499 0.019 Uiso 1 1 calc R U . . .
N1C N 0.5083(4) 0.7613(4) 0.6380(3) 0.0111(7) Uani 1 1 d . . . . .
C022 C 0.0371(7) 0.7352(6) 0.3400(5) 0.0402(17) Uani 1 1 d . . . . .
C029 C 0.6011(5) 0.8345(5) 0.1984(4) 0.0253(11) Uani 1 1 d . . . . .
N2A N 0.9090(4) 0.2955(4) 0.2201(3) 0.0154(8) Uani 1 1 d . . . . .
C2A C 1.0463(4) 0.4093(4) 0.1816(3) 0.0114(8) Uani 1 1 d . . . . .
N2B N 0.5381(3) 0.3371(4) 0.3796(3) 0.0110(7) Uani 1 1 d . . . . .
C2B C 0.4023(4) 0.2239(4) 0.4152(3) 0.0106(8) Uani 1 1 d . . . . .
N2D N 0.0970(4) 0.7252(4) 0.7861(3) 0.0163(8) Uani 1 1 d . . . . .
C2D C -0.0418(4) 0.6128(4) 0.8255(3) 0.0127(9) Uani 1 1 d . U . . .
N2C N 0.4592(4) 0.6809(4) 0.6167(3) 0.0128(7) Uani 1 1 d . . . . .
C102 C 0.9793(9) 0.2856(10) 0.6497(8) 0.077(3) Uani 1 1 d . . . . .
H10A H 1.0419 0.2055 0.6638 0.093 Uiso 1 1 calc R U . . .
H10B H 1.0167 0.3393 0.6712 0.093 Uiso 1 1 calc R U . . .
C10A C 0.9844(5) 0.2318(5) 0.0418(4) 0.0201(10) Uani 1 1 d . . . . .
H10D H 0.9019 0.2826 0.0226 0.024 Uiso 1 1 calc R U . . .
C11A C 1.0331(6) 0.1518(6) -0.0061(5) 0.0306(13) Uani 1 1 d . . . . .
H11A H 0.9846 0.1494 -0.0609 0.037 Uiso 1 1 calc R U . . .
C10D C 0.0118(5) 0.7953(5) 0.9607(4) 0.0206(10) Uani 1 1 d . U . . .
H10E H 0.0937 0.7435 0.9836 0.025 Uiso 1 1 calc R U . . .
C10B C 0.4710(4) 0.2427(4) 0.1900(4) 0.0142(9) Uani 1 1 d . . . . .
H10F H 0.3863 0.2832 0.1850 0.017 Uiso 1 1 calc R U . . .
C12A C 1.1521(7) 0.0757(7) 0.0258(6) 0.0447(18) Uani 1 1 d . . . . .
H12A H 1.1837 0.0191 -0.0055 0.054 Uiso 1 1 calc R U . . .
C11D C -0.0397(7) 0.8784(6) 1.0058(4) 0.0326(14) Uani 1 1 d . U . . .
H11D H 0.0071 0.8835 1.0601 0.039 Uiso 1 1 calc R U . . .
C11B C 0.5173(5) 0.2124(5) 0.1079(4) 0.0205(10) Uani 1 1 d . . . . .
H11B H 0.4650 0.2322 0.0461 0.025 Uiso 1 1 calc R U . . .
C13A C 1.2253(6) 0.0809(6) 0.1021(6) 0.0381(15) Uani 1 1 d . . . . .
H13A H 1.3076 0.0296 0.1217 0.046 Uiso 1 1 calc R U . . .
C12D C -0.1584(7) 0.9531(6) 0.9714(5) 0.0384(16) Uani 1 1 d . U . . .
H12D H -0.1926 1.0095 1.0023 0.046 Uiso 1 1 calc R U . . .
C12B C 0.6415(5) 0.1526(5) 0.1180(4) 0.0238(11) Uani 1 1 d . . . . .
H12B H 0.6740 0.1318 0.0623 0.029 Uiso 1 1 calc R U . . .
C14A C 1.1798(5) 0.1604(5) 0.1507(4) 0.0212(10) Uani 1 1 d . . . . .
H14A H 1.2293 0.1637 0.2044 0.025 Uiso 1 1 calc R U . . .
C13D C -0.2290(6) 0.9476(6) 0.8925(5) 0.0324(14) Uani 1 1 d . U . . .
H13D H -0.3109 0.9996 0.8700 0.039 Uiso 1 1 calc R U . . .
C14B C 0.6730(4) 0.1531(5) 0.2902(4) 0.0159(9) Uani 1 1 d . . . . .
H14B H 0.7249 0.1331 0.3523 0.019 Uiso 1 1 calc R U . . .
C14D C -0.1791(5) 0.8650(5) 0.8462(4) 0.0218(11) Uani 1 1 d . U . . .
H14D H -0.2259 0.8602 0.7918 0.026 Uiso 1 1 calc R U . . .
C13B C 0.7185(5) 0.1230(5) 0.2075(5) 0.0229(11) Uani 1 1 d . . . . .
H13B H 0.8030 0.0819 0.2128 0.027 Uiso 1 1 calc R U . . .
C100 C 0.7622(6) 0.3336(6) 0.6199(5) 0.0366(13) Uani 1 1 d . . . . .
H10G H 0.6933 0.2941 0.6363 0.044 Uiso 1 1 calc R U . B 2
H10H H 0.7324 0.4224 0.6102 0.044 Uiso 1 1 calc R U . B 2
C9D C -0.0591(4) 0.7903(4) 0.8822(4) 0.0133(9) Uani 1 1 d . U . . .
C9B C 0.5487(5) 0.2135(5) 0.2781(4) 0.0129(9) Uani 1 1 d . . . . .
C9A C 1.0606(4) 0.2347(5) 0.1187(4) 0.0138(9) Uani 1 1 d . . . . .
C8D C -0.2059(5) 0.5193(4) 0.8101(4) 0.0160(9) Uani 1 1 d . U . . .
H8D H -0.1794 0.5228 0.7439 0.019 Uiso 1 1 calc R U . . .
C8B C 0.3879(4) 0.0257(4) 0.3998(4) 0.0142(9) Uani 1 1 d . . . . .
H8B H 0.4721 0.0066 0.3889 0.017 Uiso 1 1 calc R U . . .
C8A C 1.1904(4) 0.4629(4) 0.0410(4) 0.0146(9) Uani 1 1 d . . . . .
H8A H 1.1515 0.4308 0.0013 0.017 Uiso 1 1 calc R U . . .
C7D C -0.3031(5) 0.4687(5) 0.8488(4) 0.0209(10) Uani 1 1 d . U . . .
H7D H -0.3417 0.4356 0.8098 0.025 Uiso 1 1 calc R U . . .
C7B C 0.3175(5) -0.0549(5) 0.4025(4) 0.0206(10) Uani 1 1 d . . . . .
H7B H 0.3532 -0.1293 0.3929 0.025 Uiso 1 1 calc R U . . .
C7A C 1.2872(5) 0.5155(5) 0.0020(4) 0.0194(10) Uani 1 1 d . . . . .
H7A H 1.3136 0.5197 -0.0644 0.023 Uiso 1 1 calc R U . . .
C6D C -0.3443(5) 0.4662(5) 0.9448(4) 0.0215(11) Uani 1 1 d . U . . .
H6D H -0.4114 0.4326 0.9708 0.026 Uiso 1 1 calc R U . . .
C6B C 0.1949(5) -0.0267(5) 0.4192(5) 0.0279(12) Uani 1 1 d . . . . .
H6B H 0.1480 -0.0832 0.4222 0.033 Uiso 1 1 calc R U . . .
C6A C 1.3453(5) 0.5619(5) 0.0607(4) 0.0209(10) Uani 1 1 d . . . . .
H6A H 1.4117 0.5967 0.0344 0.025 Uiso 1 1 calc R U . . .
C5D C -0.2861(5) 0.5135(5) 1.0019(4) 0.0199(10) Uani 1 1 d . U . . .
H5D H -0.3141 0.5122 1.0670 0.024 Uiso 1 1 calc R U . . .
C5B C 0.1401(5) 0.0809(5) 0.4316(4) 0.0243(11) Uani 1 1 d . . . . .
H5B H 0.0558 0.0989 0.4421 0.029 Uiso 1 1 calc R U . . .
C5A C 1.3063(5) 0.5572(4) 0.1570(4) 0.0180(10) Uani 1 1 d . . . . .
H5A H 1.3457 0.5890 0.1966 0.022 Uiso 1 1 calc R U . . .
C4D C -0.1881(4) 0.5623(5) 0.9651(4) 0.0139(9) Uani 1 1 d . U . . .
H4D H -0.1484 0.5938 1.0049 0.017 Uiso 1 1 calc R U . . .
C4B C 0.2086(5) 0.1643(5) 0.4286(4) 0.0210(10) Uani 1 1 d . . . . .
H4B H 0.1708 0.2391 0.4369 0.025 Uiso 1 1 calc R U . . .
C4A C 1.2095(4) 0.5059(5) 0.1953(4) 0.0159(9) Uani 1 1 d . . . . .
H4A H 1.1827 0.5037 0.2611 0.019 Uiso 1 1 calc R U . . .
N3D N 0.1266(4) 0.6399(4) 0.7476(3) 0.0162(8) Uani 1 1 d . . . . .
C3D C -0.1476(4) 0.5648(4) 0.8682(4) 0.0129(9) Uani 1 1 d . U . . .
N3C N 0.5254(4) 0.6492(4) 0.5488(3) 0.0134(8) Uani 1 1 d . . . . .
N3B N 0.4694(4) 0.3661(4) 0.4476(3) 0.0134(8) Uani 1 1 d . . . . .
C3B C 0.3327(4) 0.1371(4) 0.4135(3) 0.0120(8) Uani 1 1 d . . . . .
N3A N 0.8796(4) 0.3782(4) 0.2622(3) 0.0170(8) Uani 1 1 d . . . . .
C3A C 1.1504(4) 0.4572(4) 0.1387(3) 0.0118(8) Uani 1 1 d . . . . .
C101 C 0.8686(8) 0.2606(7) 0.7084(6) 0.0507(19) Uani 1 1 d . . . . .
H10I H 0.8605 0.2928 0.7642 0.061 Uiso 1 1 calc R U . . .
H10J H 0.8738 0.1692 0.7416 0.061 Uiso 1 1 calc R U . . .
O102 O 0.8117(4) 0.3274(4) 0.5272(3) 0.0303(9) Uani 1 1 d . . . . .
C103 C 0.9258(7) 0.3550(10) 0.5304(6) 0.063(2) Uani 1 1 d . . . . .
H10K H 0.9142 0.4472 0.5040 0.075 Uiso 1 1 calc R U . . .
H10L H 0.9812 0.3237 0.4862 0.075 Uiso 1 1 calc R U . . .
Ag3A Ag 0.45816(4) 0.53334(4) 0.47919(3) 0.01578(9) Uani 0.9 1 d . . P C 1
Ag3B Ag 0.5394(5) 0.4807(5) 0.5202(4) 0.0232(9) Uani 0.1 1 d . . P C 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
C1_4 F3_4 1.351(11) . ?
C1_4 F1_4 1.407(13) . ?
C1_4 F2_4 1.478(11) . ?
C1_4 S1_4 1.821(11) . ?
S1_4 O2_4 1.395(9) . ?
S1_4 O3_4 1.422(10) . ?
S1_4 O1_4 1.426(13) . ?
O1_4 Ag2 2.51(2) . ?
C1_3 F2_3 1.354(13) . ?
C1_3 F3_3 1.359(11) . ?
C1_3 F1_3 1.493(12) . ?
C1_3 S1_3 1.811(11) . ?
S1_3 O1_3 1.386(10) . ?
S1_3 O2_3 1.451(11) . ?
S1_3 O3_3 1.462(13) . ?
O3_3 Ag2 2.529(19) . ?
Ag1 N3A 2.184(4) . ?
Ag1 N2B 2.224(4) . ?
Ag1 O00C 2.503(4) . ?
Ag1 O102 2.524(4) . ?
C1C N3C 1.350(6) . ?
C1C C2C 1.376(6) . ?
C1C H1C 0.9500 . ?
Ag2 N3D 2.166(4) . ?
Ag2 N2C 2.221(4) . ?
Ag2 O00K 2.549(4) . ?
C2C N1C 1.370(6) . ?
C2C C3C 1.476(6) . ?
C3C C4C 1.389(7) . ?
C3C C8C 1.392(7) . ?
S004 O00P 1.438(4) . ?
S004 O00N 1.438(4) . ?
S004 O00C 1.454(4) . ?
S004 C029 1.812(6) . ?
C4C C5C 1.392(7) . ?
C4C H4C 0.9500 . ?
S005 O00M 1.436(4) . ?
S005 O00E 1.440(4) . ?
S005 O00K 1.454(4) . ?
S005 C022 1.807(6) . ?
C5C C6C 1.392(8) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.394(8) . ?
C6C H6C 0.9500 . ?
F007 C029 1.326(7) . ?
C7C C8C 1.388(7) . ?
C7C H7C 0.9500 . ?
F009 C029 1.324(6) . ?
C9C C10C 1.386(7) . ?
C9C C14C 1.391(7) . ?
C9C N1C 1.436(6) . ?
C8C H8C 0.9500 . ?
F00B C029 1.321(7) . ?
F00H C022 1.368(9) . ?
F00O C022 1.329(7) . ?
F00V C022 1.307(7) . ?
C10C C11C 1.394(6) . ?
C10C H10C 0.9500 . ?
C12C C13C 1.379(9) . ?
C12C C11C 1.387(8) . ?
C12C H12C 0.9500 . ?
C11C H11C 0.9500 . ?
C14C C13C 1.402(8) . ?
C14C H14C 0.9500 . ?
C13C H13C 0.9500 . ?
C1A N3A 1.357(6) . ?
C1A C2A 1.377(6) . ?
C1A H1A 0.9500 . ?
N1A N2A 1.341(5) . ?
N1A C2A 1.369(6) . ?
N1A C9A 1.440(6) . ?
N1B N2B 1.347(5) . ?
N1B C2B 1.351(6) . ?
N1B C9B 1.454(6) . ?
C1B N3B 1.353(6) . ?
C1B C2B 1.382(6) . ?
C1B H1B 0.9500 . ?
N1D C2D 1.345(6) . ?
N1D N2D 1.357(6) . ?
N1D C9D 1.434(6) . ?
C1D N3D 1.356(6) . ?
C1D C2D 1.394(6) . ?
C1D H1D 0.9500 . ?
N1C N2C 1.354(5) . ?
N2A N3A 1.323(6) . ?
C2A C3A 1.459(6) . ?
N2B N3B 1.320(5) . ?
C2B C3B 1.462(6) . ?
N2D N3D 1.314(6) . ?
C2D C3D 1.476(7) . ?
N2C N3C 1.318(5) . ?
C102 C101 1.517(14) . ?
C102 C103 1.552(12) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C10A C9A 1.387(7) . ?
C10A C11A 1.389(7) . ?
C10A H10D 0.9500 . ?
C11A C12A 1.382(9) . ?
C11A H11A 0.9500 . ?
C10D C9D 1.380(7) . ?
C10D C11D 1.397(7) . ?
C10D H10E 0.9500 . ?
C10B C9B 1.372(7) . ?
C10B C11B 1.392(6) . ?
C10B H10F 0.9500 . ?
C12A C13A 1.373(9) . ?
C12A H12A 0.9500 . ?
C11D C12D 1.377(10) . ?
C11D H11D 0.9500 . ?
C11B C12B 1.390(8) . ?
C11B H11B 0.9500 . ?
C13A C14A 1.384(8) . ?
C13A H13A 0.9500 . ?
C12D C13D 1.385(10) . ?
C12D H12D 0.9500 . ?
C12B C13B 1.380(8) . ?
C12B H12B 0.9500 . ?
C14A C9A 1.379(7) . ?
C14A H14A 0.9500 . ?
C13D C14D 1.400(8) . ?
C13D H13D 0.9500 . ?
C14B C9B 1.390(7) . ?
C14B C13B 1.396(7) . ?
C14B H14B 0.9500 . ?
C14D C9D 1.392(7) . ?
C14D H14D 0.9500 . ?
C13B H13B 0.9500 . ?
C100 O102 1.420(7) . ?
C100 C101 1.524(10) . ?
C100 Ag3B 2.684(9) . ?
C100 H10G 0.9900 . ?
C100 H10H 0.9900 . ?
C8D C3D 1.385(7) . ?
C8D C7D 1.390(7) . ?
C8D H8D 0.9500 . ?
C8B C7B 1.390(7) . ?
C8B C3B 1.421(6) . ?
C8B H8B 0.9500 . ?
C8A C7A 1.398(7) . ?
C8A C3A 1.404(6) . ?
C8A H8A 0.9500 . ?
C7D C6D 1.397(7) . ?
C7D H7D 0.9500 . ?
C7B C6B 1.387(8) . ?
C7B H7B 0.9500 . ?
C7A C6A 1.399(8) . ?
C7A H7A 0.9500 . ?
C6D C5D 1.391(8) . ?
C6D H6D 0.9500 . ?
C6B C5B 1.369(8) . ?
C6B H6B 0.9500 . ?
C6A C5A 1.385(7) . ?
C6A H6A 0.9500 . ?
C5D C4D 1.381(7) . ?
C5D H5D 0.9500 . ?
C5B C4B 1.401(7) . ?
C5B H5B 0.9500 . ?
C5A C4A 1.388(7) . ?
C5A H5A 0.9500 . ?
C4D C3D 1.406(6) . ?
C4D H4D 0.9500 . ?
C4B C3B 1.397(7) . ?
C4B H4B 0.9500 . ?
C4A C3A 1.405(6) . ?
C4A H4A 0.9500 . ?
N3C Ag3B 2.191(6) . ?
N3C Ag3A 2.253(4) . ?
N3B Ag3A 2.203(4) . ?
N3B Ag3B 2.283(6) . ?
C101 H10I 0.9900 . ?
C101 H10J 0.9900 . ?
O102 C103 1.416(8) . ?
C103 H10K 0.9900 . ?
C103 H10L 0.9900 . ?

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
F3_4 C1_4 F1_4 113.6(11) . . ?
F3_4 C1_4 F2_4 127.6(9) . . ?
F1_4 C1_4 F2_4 90.2(10) . . ?
F3_4 C1_4 S1_4 109.8(7) . . ?
F1_4 C1_4 S1_4 106.8(9) . . ?
F2_4 C1_4 S1_4 106.1(7) . . ?
O2_4 S1_4 O3_4 116.8(10) . . ?
O2_4 S1_4 O1_4 114.6(11) . . ?
O3_4 S1_4 O1_4 112.4(13) . . ?
O2_4 S1_4 C1_4 105.7(7) . . ?
O3_4 S1_4 C1_4 99.3(7) . . ?
O1_4 S1_4 C1_4 105.8(11) . . ?
S1_4 O1_4 Ag2 107.1(13) . . ?
F2_3 C1_3 F3_3 113.5(11) . . ?
F2_3 C1_3 F1_3 99.7(9) . . ?
F3_3 C1_3 F1_3 128.8(9) . . ?
F2_3 C1_3 S1_3 108.2(10) . . ?
F3_3 C1_3 S1_3 107.6(7) . . ?
F1_3 C1_3 S1_3 96.6(7) . . ?
O1_3 S1_3 O2_3 115.3(12) . . ?
O1_3 S1_3 O3_3 120.5(12) . . ?
O2_3 S1_3 O3_3 112.2(9) . . ?
O1_3 S1_3 C1_3 103.4(7) . . ?
O2_3 S1_3 C1_3 99.6(6) . . ?
O3_3 S1_3 C1_3 101.9(11) . . ?
S1_3 O3_3 Ag2 122.6(10) . . ?
N3A Ag1 N2B 149.50(14) . . ?
N3A Ag1 O00C 106.17(14) . . ?
N2B Ag1 O00C 99.69(13) . . ?
N3A Ag1 O102 98.52(15) . . ?
N2B Ag1 O102 100.75(13) . . ?
O00C Ag1 O102 82.22(12) . . ?
N3C C1C C2C 108.7(4) . . ?
N3C C1C H1C 125.7 . . ?
C2C C1C H1C 125.7 . . ?
N3D Ag2 N2C 148.85(15) . . ?
N3D Ag2 O1_4 118.2(6) . . ?
N2C Ag2 O1_4 88.4(6) . . ?
N3D Ag2 O3_3 112.6(6) . . ?
N2C Ag2 O3_3 94.6(6) . . ?
N3D Ag2 O00K 109.28(14) . . ?
N2C Ag2 O00K 91.72(13) . . ?
O1_4 Ag2 O00K 76.4(4) . . ?
O3_3 Ag2 O00K 75.0(3) . . ?
N1C C2C C1C 104.3(4) . . ?
N1C C2C C3C 125.9(4) . . ?
C1C C2C C3C 129.8(4) . . ?
C4C C3C C8C 119.9(4) . . ?
C4C C3C C2C 117.8(4) . . ?
C8C C3C C2C 122.2(4) . . ?
O00P S004 O00N 115.7(3) . . ?
O00P S004 O00C 112.7(2) . . ?
O00N S004 O00C 114.2(2) . . ?
O00P S004 C029 103.4(3) . . ?
O00N S004 C029 105.1(3) . . ?
O00C S004 C029 103.9(2) . . ?
C3C C4C C5C 119.8(5) . . ?
C3C C4C H4C 120.1 . . ?
C5C C4C H4C 120.1 . . ?
O00M S005 O00E 115.3(3) . . ?
O00M S005 O00K 114.2(2) . . ?
O00E S005 O00K 115.8(2) . . ?
O00M S005 C022 102.8(3) . . ?
O00E S005 C022 103.4(2) . . ?
O00K S005 C022 102.7(3) . . ?
C6C C5C C4C 120.4(5) . . ?
C6C C5C H5C 119.8 . . ?
C4C C5C H5C 119.8 . . ?
C5C C6C C7C 119.7(5) . . ?
C5C C6C H6C 120.2 . . ?
C7C C6C H6C 120.2 . . ?
C8C C7C C6C 119.9(5) . . ?
C8C C7C H7C 120.1 . . ?
C6C C7C H7C 120.1 . . ?
C10C C9C C14C 122.9(4) . . ?
C10C C9C N1C 118.2(4) . . ?
C14C C9C N1C 118.9(4) . . ?
C7C C8C C3C 120.4(5) . . ?
C7C C8C H8C 119.8 . . ?
C3C C8C H8C 119.8 . . ?
S004 O00C Ag1 106.4(2) . . ?
S005 O00K Ag2 117.2(2) . . ?
C9C C10C C11C 118.5(5) . . ?
C9C C10C H10C 120.7 . . ?
C11C C10C H10C 120.7 . . ?
C13C C12C C11C 121.2(5) . . ?
C13C C12C H12C 119.4 . . ?
C11C C12C H12C 119.4 . . ?
C12C C11C C10C 119.6(5) . . ?
C12C C11C H11C 120.2 . . ?
C10C C11C H11C 120.2 . . ?
C9C C14C C13C 117.5(5) . . ?
C9C C14C H14C 121.3 . . ?
C13C C14C H14C 121.3 . . ?
C12C C13C C14C 120.3(5) . . ?
C12C C13C H13C 119.8 . . ?
C14C C13C H13C 119.8 . . ?
N3A C1A C2A 108.8(4) . . ?
N3A C1A H1A 125.6 . . ?
C2A C1A H1A 125.6 . . ?
N2A N1A C2A 111.6(4) . . ?
N2A N1A C9A 117.5(4) . . ?
C2A N1A C9A 130.9(4) . . ?
N2B N1B C2B 111.1(4) . . ?
N2B N1B C9B 118.9(4) . . ?
C2B N1B C9B 129.5(4) . . ?
N3B C1B C2B 109.3(4) . . ?
N3B C1B H1B 125.3 . . ?
C2B C1B H1B 125.3 . . ?
C2D N1D N2D 112.3(4) . . ?
C2D N1D C9D 130.7(4) . . ?
N2D N1D C9D 117.0(4) . . ?
N3D C1D C2D 107.3(4) . . ?
N3D C1D H1D 126.3 . . ?
C2D C1D H1D 126.3 . . ?
N2C N1C C2C 110.4(3) . . ?
N2C N1C C9C 118.6(4) . . ?
C2C N1C C9C 130.8(4) . . ?
F00V C022 F00O 108.2(5) . . ?
F00V C022 F00H 106.6(5) . . ?
F00O C022 F00H 106.8(6) . . ?
F00V C022 S005 112.4(5) . . ?
F00O C022 S005 112.7(4) . . ?
F00H C022 S005 109.8(5) . . ?
F00B C029 F009 107.7(5) . . ?
F00B C029 F007 107.3(4) . . ?
F009 C029 F007 108.8(5) . . ?
F00B C029 S004 110.9(4) . . ?
F009 C029 S004 110.7(4) . . ?
F007 C029 S004 111.3(4) . . ?
N3A N2A N1A 106.5(4) . . ?
N1A C2A C1A 103.6(4) . . ?
N1A C2A C3A 127.5(4) . . ?
C1A C2A C3A 128.9(4) . . ?
N3B N2B N1B 107.6(3) . . ?
N3B N2B Ag1 122.8(3) . . ?
N1B N2B Ag1 128.0(3) . . ?
N1B C2B C1B 103.8(4) . . ?
N1B C2B C3B 127.2(4) . . ?
C1B C2B C3B 129.0(4) . . ?
N3D N2D N1D 105.3(4) . . ?
N1D C2D C1D 104.0(4) . . ?
N1D C2D C3D 128.1(4) . . ?
C1D C2D C3D 127.9(4) . . ?
N3C N2C N1C 106.9(4) . . ?
N3C N2C Ag2 123.1(3) . . ?
N1C N2C Ag2 129.6(3) . . ?
C101 C102 C103 103.8(7) . . ?
C101 C102 H10A 111.0 . . ?
C103 C102 H10A 111.0 . . ?
C101 C102 H10B 111.0 . . ?
C103 C102 H10B 111.0 . . ?
H10A C102 H10B 109.0 . . ?
C9A C10A C11A 117.5(5) . . ?
C9A C10A H10D 121.2 . . ?
C11A C10A H10D 121.2 . . ?
C12A C11A C10A 120.1(5) . . ?
C12A C11A H11A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C9D C10D C11D 118.4(5) . . ?
C9D C10D H10E 120.8 . . ?
C11D C10D H10E 120.8 . . ?
C9B C10B C11B 119.3(5) . . ?
C9B C10B H10F 120.3 . . ?
C11B C10B H10F 120.3 . . ?
C13A C12A C11A 121.0(5) . . ?
C13A C12A H12A 119.5 . . ?
C11A C12A H12A 119.5 . . ?
C12D C11D C10D 119.9(6) . . ?
C12D C11D H11D 120.0 . . ?
C10D C11D H11D 120.0 . . ?
C12B C11B C10B 118.8(5) . . ?
C12B C11B H11B 120.6 . . ?
C10B C11B H11B 120.6 . . ?
C12A C13A C14A 120.3(6) . . ?
C12A C13A H13A 119.9 . . ?
C14A C13A H13A 119.9 . . ?
C11D C12D C13D 121.4(5) . . ?
C11D C12D H12D 119.3 . . ?
C13D C12D H12D 119.3 . . ?
C13B C12B C11B 121.2(5) . . ?
C13B C12B H12B 119.4 . . ?
C11B C12B H12B 119.4 . . ?
C9A C14A C13A 118.0(5) . . ?
C9A C14A H14A 121.0 . . ?
C13A C14A H14A 121.0 . . ?
C12D C13D C14D 119.7(6) . . ?
C12D C13D H13D 120.2 . . ?
C14D C13D H13D 120.2 . . ?
C9B C14B C13B 117.3(5) . . ?
C9B C14B H14B 121.3 . . ?
C13B C14B H14B 121.3 . . ?
C9D C14D C13D 118.1(5) . . ?
C9D C14D H14D 120.9 . . ?
C13D C14D H14D 120.9 . . ?
C12B C13B C14B 120.5(5) . . ?
C12B C13B H13B 119.8 . . ?
C14B C13B H13B 119.8 . . ?
O102 C100 C101 104.7(5) . . ?
O102 C100 Ag3B 95.6(4) . . ?
C101 C100 Ag3B 159.5(5) . . ?
O102 C100 H10G 110.8 . . ?
C101 C100 H10G 110.8 . . ?
Ag3B C100 H10G 63.2 . . ?
O102 C100 H10H 110.8 . . ?
C101 C100 H10H 110.8 . . ?
Ag3B C100 H10H 57.8 . . ?
H10G C100 H10H 108.9 . . ?
C10D C9D C14D 122.5(5) . . ?
C10D C9D N1D 118.7(4) . . ?
C14D C9D N1D 118.7(4) . . ?
C10B C9B C14B 122.8(4) . . ?
C10B C9B N1B 117.7(4) . . ?
C14B C9B N1B 119.4(4) . . ?
C14A C9A C10A 123.1(5) . . ?
C14A C9A N1A 119.2(4) . . ?
C10A C9A N1A 117.7(4) . . ?
C3D C8D C7D 119.9(5) . . ?
C3D C8D H8D 120.1 . . ?
C7D C8D H8D 120.1 . . ?
C7B C8B C3B 119.3(4) . . ?
C7B C8B H8B 120.4 . . ?
C3B C8B H8B 120.4 . . ?
C7A C8A C3A 120.3(5) . . ?
C7A C8A H8A 119.9 . . ?
C3A C8A H8A 119.9 . . ?
C8D C7D C6D 120.3(5) . . ?
C8D C7D H7D 119.9 . . ?
C6D C7D H7D 119.9 . . ?
C6B C7B C8B 120.0(5) . . ?
C6B C7B H7B 120.0 . . ?
C8B C7B H7B 120.0 . . ?
C8A C7A C6A 120.0(4) . . ?
C8A C7A H7A 120.0 . . ?
C6A C7A H7A 120.0 . . ?
C5D C6D C7D 119.4(5) . . ?
C5D C6D H6D 120.3 . . ?
C7D C6D H6D 120.3 . . ?
C5B C6B C7B 121.5(5) . . ?
C5B C6B H6B 119.3 . . ?
C7B C6B H6B 119.3 . . ?
C5A C6A C7A 120.2(5) . . ?
C5A C6A H6A 119.9 . . ?
C7A C6A H6A 119.9 . . ?
C4D C5D C6D 120.9(5) . . ?
C4D C5D H5D 119.6 . . ?
C6D C5D H5D 119.6 . . ?
C6B C5B C4B 119.9(5) . . ?
C6B C5B H5B 120.1 . . ?
C4B C5B H5B 120.1 . . ?
C6A C5A C4A 119.8(5) . . ?
C6A C5A H5A 120.1 . . ?
C4A C5A H5A 120.1 . . ?
C5D C4D C3D 119.3(5) . . ?
C5D C4D H4D 120.4 . . ?
C3D C4D H4D 120.4 . . ?
C3B C4B C5B 119.8(5) . . ?
C3B C4B H4B 120.1 . . ?
C5B C4B H4B 120.1 . . ?
C5A C4A C3A 121.2(4) . . ?
C5A C4A H4A 119.4 . . ?
C3A C4A H4A 119.4 . . ?
N2D N3D C1D 111.0(4) . . ?
N2D N3D Ag2 120.8(3) . . ?
C1D N3D Ag2 128.2(3) . . ?
C8D C3D C4D 120.2(4) . . ?
C8D C3D C2D 117.6(4) . . ?
C4D C3D C2D 122.1(4) . . ?
N2C N3C C1C 109.7(4) . . ?
N2C N3C Ag3B 126.4(3) . . ?
C1C N3C Ag3B 120.2(3) . . ?
N2C N3C Ag3A 117.3(3) . . ?
C1C N3C Ag3A 132.5(3) . . ?
N2B N3B C1B 108.2(4) . . ?
N2B N3B Ag3A 124.6(3) . . ?
C1B N3B Ag3A 125.0(3) . . ?
N2B N3B Ag3B 115.2(3) . . ?
C1B N3B Ag3B 135.1(3) . . ?
C4B C3B C8B 119.6(4) . . ?
C4B C3B C2B 118.2(4) . . ?
C8B C3B C2B 122.2(4) . . ?
N2A N3A C1A 109.5(4) . . ?
N2A N3A Ag1 119.2(3) . . ?
C1A N3A Ag1 131.2(3) . . ?
C8A C3A C4A 118.5(4) . . ?
C8A C3A C2A 123.1(4) . . ?
C4A C3A C2A 118.3(4) . . ?
C102 C101 C100 102.8(6) . . ?
C102 C101 H10I 111.2 . . ?
C100 C101 H10I 111.2 . . ?
C102 C101 H10J 111.2 . . ?
C100 C101 H10J 111.2 . . ?
H10I C101 H10J 109.1 . . ?
C103 O102 C100 104.0(5) . . ?
C103 O102 Ag1 114.7(4) . . ?
C100 O102 Ag1 132.2(4) . . ?
O102 C103 C102 105.1(6) . . ?
O102 C103 H10K 110.7 . . ?
C102 C103 H10K 110.7 . . ?
O102 C103 H10L 110.7 . . ?
C102 C103 H10L 110.7 . . ?
H10K C103 H10L 108.8 . . ?
N3B Ag3A N3C 155.29(18) . . ?
N3C Ag3B N3B 153.4(4) . . ?
N3C Ag3B C100 102.3(3) . . ?
N3B Ag3B C100 104.2(3) . . ?

_refine_diff_density_max         1.427
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.122

####################################################################### 
# 
# 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_bip315_a
_database_code_depnum_ccdc_archive 'CCDC 1832061'
_audit_update_record             
;
2018-03-23 deposited with the CCDC.
2018-05-23 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         ?
_chemical_formula_sum            'C60 H44 Ag4 F12 N12 O12 S4'
_chemical_formula_weight         1912.79

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6056(11)
_cell_length_b                   11.9727(12)
_cell_length_c                   25.294(2)
_cell_angle_alpha                99.526(4)
_cell_angle_beta                 92.150(3)
_cell_angle_gamma                105.030(3)
_cell_volume                     3335.6(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    19598
_cell_measurement_theta_min      2.272
_cell_measurement_theta_max      33.162

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_F_000             1888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.350
_exptl_absorpt_coefficient_mu    1.387
_shelx_estimated_absorpt_T_min   0.516
_shelx_estimated_absorpt_T_max   0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4575
_exptl_absorpt_correction_T_max  0.5658
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'omega + phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            91800
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.272
_diffrn_reflns_theta_max         33.162
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             23595
_reflns_number_gt                19598
_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       'APEX3 (Bruker, 2015)'
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT+ (Bruker, 2009)'
_computing_structure_solution    'intrinsic phasing'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3D, Version 4.0 (Brandenburg, 2014)'
_computing_publication_material  shelxle
_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)+(0.0338P)²+5.9181P] 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         23595
_refine_ls_number_parameters     937
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_ref         0.0847
_refine_ls_wR_factor_gt          0.0797
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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 0.69506(2) 0.52520(2) 0.16236(2) 0.01503(4) Uani 1 1 d . . . . .
C1C C 0.60059(18) 0.14429(18) 0.26273(8) 0.0101(4) Uani 1 1 d . . . . .
H1C H 0.6602 0.1723 0.2398 0.012 Uiso 1 1 calc R U . . .
Ag2 Ag 0.45015(2) 0.33283(2) 0.24449(2) 0.01439(4) Uani 1 1 d . . . . .
C2C C 0.59607(17) 0.05178(18) 0.28976(8) 0.0079(3) Uani 1 1 d . . . . .
C3C C 0.67405(18) -0.02724(18) 0.28806(8) 0.0090(4) Uani 1 1 d . . . . .
Ag3 Ag 0.26355(2) 0.14376(2) 0.32674(2) 0.01318(4) Uani 1 1 d . . . . .
C4C C 0.6341(2) -0.14282(19) 0.29717(9) 0.0121(4) Uani 1 1 d . . . . .
H4C H 0.5539 -0.1724 0.3053 0.015 Uiso 1 1 calc R U . . .
Ag4 Ag 0.09668(2) 0.36619(2) 0.35705(2) 0.01523(4) Uani 1 1 d . . . . .
C9C C 0.44806(18) -0.02870(18) 0.35494(8) 0.0088(4) Uani 1 1 d . . . . .
C8C C 0.79233(19) 0.0156(2) 0.27519(9) 0.0128(4) Uani 1 1 d . . . . .
H8C H 0.8201 0.0937 0.2687 0.015 Uiso 1 1 calc R U . . .
C7C C 0.8685(2) -0.0578(2) 0.27200(10) 0.0174(5) Uani 1 1 d . . . . .
H7C H 0.9483 -0.0294 0.2631 0.021 Uiso 1 1 calc R U . . .
C6C C 0.8291(2) -0.1716(2) 0.28163(10) 0.0192(5) Uani 1 1 d . . . . .
H6C H 0.8820 -0.2206 0.2796 0.023 Uiso 1 1 calc R U . . .
C5C C 0.7119(2) -0.2143(2) 0.29427(10) 0.0172(4) Uani 1 1 d . . . . .
H5C H 0.6850 -0.2922 0.3009 0.021 Uiso 1 1 calc R U . . .
N1A N 1.00246(16) 0.64786(16) 0.08518(7) 0.0108(3) Uani 1 1 d . . . . .
C14C C 0.33357(19) -0.10367(19) 0.34264(9) 0.0125(4) Uani 1 1 d . . . . .
H14C H 0.2872 -0.1028 0.3110 0.015 Uiso 1 1 calc R U . . .
C13C C 0.2875(2) -0.1803(2) 0.37742(10) 0.0176(4) Uani 1 1 d . . . . .
H13C H 0.2092 -0.2320 0.3697 0.021 Uiso 1 1 calc R U . . .
C12C C 0.3569(2) -0.1806(2) 0.42331(10) 0.0205(5) Uani 1 1 d . . . . .
H12C H 0.3263 -0.2338 0.4466 0.025 Uiso 1 1 calc R U . . .
C11C C 0.4705(2) -0.1038(2) 0.43543(10) 0.0187(5) Uani 1 1 d . . . . .
H11C H 0.5166 -0.1041 0.4672 0.022 Uiso 1 1 calc R U . . .
C10C C 0.5173(2) -0.0266(2) 0.40134(9) 0.0137(4) Uani 1 1 d . . . . .
H10C H 0.5949 0.0264 0.4095 0.016 Uiso 1 1 calc R U . . .
C1A C 0.9461(2) 0.4920(2) 0.12027(9) 0.0142(4) Uani 1 1 d . . . . .
H1A H 0.9410 0.4193 0.1317 0.017 Uiso 1 1 calc R U . . .
N1B N 0.48977(16) 0.65186(16) 0.18252(7) 0.0091(3) Uani 1 1 d . . . . .
C1B C 0.38134(19) 0.57110(19) 0.24122(9) 0.0119(4) Uani 1 1 d . . . . .
H1B H 0.3227 0.5533 0.2660 0.014 Uiso 1 1 calc R U . . .
N1D N -0.03356(16) 0.15456(16) 0.41635(7) 0.0098(3) Uani 1 1 d . . . . .
C1D C 0.04603(19) 0.0135(2) 0.38835(9) 0.0120(4) Uani 1 1 d . . . . .
H1D H 0.0636 -0.0605 0.3819 0.014 Uiso 1 1 calc R U . . .
N1C N 0.49704(15) 0.04642(15) 0.31782(7) 0.0078(3) Uani 1 1 d . . . . .
N2A N 0.90108(16) 0.65396(17) 0.10874(8) 0.0134(4) Uani 1 1 d . . . . .
C2A C 1.03442(19) 0.54870(19) 0.09129(9) 0.0117(4) Uani 1 1 d . . . . .
N2B N 0.53247(16) 0.56273(16) 0.19353(8) 0.0111(3) Uani 1 1 d . . . . .
C2B C 0.39405(18) 0.65956(18) 0.21139(8) 0.0089(4) Uani 1 1 d . . . . .
N2D N 0.05524(16) 0.19632(16) 0.38603(8) 0.0112(3) Uani 1 1 d . . . . .
C2D C -0.04327(18) 0.04017(19) 0.41899(9) 0.0102(4) Uani 1 1 d . . . . .
N2C N 0.44301(16) 0.12904(16) 0.30773(7) 0.0105(3) Uani 1 1 d . . . . .
N3A N 0.86760(17) 0.55857(18) 0.12965(8) 0.0151(4) Uani 1 1 d . . . . .
C3A C 1.13851(18) 0.51218(19) 0.07030(9) 0.0106(4) Uani 1 1 d . . . . .
N3B N 0.46622(17) 0.51380(17) 0.22937(8) 0.0122(3) Uani 1 1 d . . . . .
C3B C 0.32193(19) 0.74323(18) 0.20915(8) 0.0098(4) Uani 1 1 d . . . . .
N3C N 0.50649(16) 0.18822(16) 0.27434(7) 0.0109(3) Uani 1 1 d . . . . .
N3D N 0.10351(16) 0.10913(17) 0.36936(8) 0.0115(3) Uani 1 1 d . . . . .
C3D C -0.12654(18) -0.03703(19) 0.44836(9) 0.0105(4) Uani 1 1 d . . . . .
O100 O 0.63687(18) 0.31219(16) 0.17386(7) 0.0211(4) Uani 1 1 d . . . . .
S100 S 0.55412(5) 0.25849(5) 0.12627(2) 0.01497(10) Uani 1 1 d . . . . .
C9D C -0.10608(18) 0.23211(18) 0.43583(8) 0.0095(4) Uani 1 1 d . . . . .
C9B C 0.53763(18) 0.71307(18) 0.14028(9) 0.0096(4) Uani 1 1 d . . . . .
C9A C 1.05809(19) 0.74353(19) 0.05914(9) 0.0114(4) Uani 1 1 d . . . . .
C8D C -0.1880(2) 0.0043(2) 0.49036(9) 0.0133(4) Uani 1 1 d . . . . .
H8D H -0.1811 0.0861 0.5000 0.016 Uiso 1 1 calc R U . . .
C8B C 0.37116(19) 0.85825(18) 0.20061(9) 0.0110(4) Uani 1 1 d . . . . .
H8B H 0.4536 0.8840 0.1950 0.013 Uiso 1 1 calc R U . . .
C8A C 1.18184(19) 0.53521(19) 0.02105(9) 0.0121(4) Uani 1 1 d . . . . .
H8A H 1.1456 0.5782 0.0003 0.014 Uiso 1 1 calc R U . . .
C7D C -0.2597(2) -0.0751(2) 0.51812(9) 0.0159(4) Uani 1 1 d . . . . .
H7D H -0.3019 -0.0470 0.5466 0.019 Uiso 1 1 calc R U . . .
C7B C 0.2987(2) 0.9346(2) 0.20040(9) 0.0139(4) Uani 1 1 d . . . . .
H7B H 0.3315 1.0123 0.1943 0.017 Uiso 1 1 calc R U . . .
C7A C 1.2781(2) 0.4949(2) 0.00272(9) 0.0163(4) Uani 1 1 d . . . . .
H7A H 1.3078 0.5109 -0.0305 0.020 Uiso 1 1 calc R U . . .
C6D C -0.2702(2) -0.1951(2) 0.50458(10) 0.0168(4) Uani 1 1 d . . . . .
H6D H -0.3188 -0.2486 0.5239 0.020 Uiso 1 1 calc R U . . .
C6B C 0.1779(2) 0.8968(2) 0.20914(10) 0.0176(5) Uani 1 1 d . . . . .
H6B H 0.1287 0.9490 0.2093 0.021 Uiso 1 1 calc R U . . .
C6A C 1.3311(2) 0.4311(2) 0.03298(10) 0.0185(5) Uani 1 1 d . . . . .
H6A H 1.3971 0.4043 0.0204 0.022 Uiso 1 1 calc R U . . .
C5D C -0.2093(2) -0.2359(2) 0.46275(10) 0.0174(4) Uani 1 1 d . . . . .
H5D H -0.2165 -0.3177 0.4533 0.021 Uiso 1 1 calc R U . . .
C5B C 0.1291(2) 0.7826(2) 0.21770(10) 0.0171(4) Uani 1 1 d . . . . .
H5B H 0.0467 0.7573 0.2235 0.020 Uiso 1 1 calc R U . . .
C5A C 1.2878(2) 0.4067(2) 0.08145(10) 0.0174(4) Uani 1 1 d . . . . .
H5A H 1.3231 0.3621 0.1016 0.021 Uiso 1 1 calc R U . . .
C4D C -0.1382(2) -0.1583(2) 0.43457(10) 0.0150(4) Uani 1 1 d . . . . .
H4D H -0.0971 -0.1871 0.4058 0.018 Uiso 1 1 calc R U . . .
C4B C 0.20053(19) 0.7055(2) 0.21780(9) 0.0133(4) Uani 1 1 d . . . . .
H4B H 0.1672 0.6277 0.2237 0.016 Uiso 1 1 calc R U . . .
C4A C 1.1922(2) 0.4480(2) 0.10044(9) 0.0136(4) Uani 1 1 d . . . . .
H4A H 1.1634 0.4325 0.1339 0.016 Uiso 1 1 calc R U . . .
C100 C 0.6014(3) 0.1289(3) 0.09971(12) 0.0319(7) Uani 1 1 d . . . . .
F100 F 0.5809(3) 0.05306(19) 0.13431(9) 0.0635(8) Uani 1 1 d . . . . .
O101 O 0.4330(2) 0.2125(2) 0.13849(10) 0.0397(6) Uani 1 1 d . . . . .
F101 F 0.5408(2) 0.07311(17) 0.05318(7) 0.0445(5) Uani 1 1 d . . . . .
O102 O 0.5680(2) 0.32718(18) 0.08418(8) 0.0282(4) Uani 1 1 d . . . . .
F102 F 0.7143(2) 0.1545(3) 0.09173(11) 0.0707(9) Uani 1 1 d . . . . .
O200 O 0.22397(17) 0.18334(17) 0.23333(7) 0.0222(4) Uani 1 1 d . . . . .
F200 F -0.00688(16) 0.05209(14) 0.16612(7) 0.0319(4) Uani 1 1 d . . . . .
S200 S 0.13277(5) 0.24364(5) 0.22604(2) 0.01204(10) Uani 1 1 d . . . . .
C14D C -0.2091(2) 0.2256(2) 0.40466(9) 0.0149(4) Uani 1 1 d . . . . .
H14D H -0.2312 0.1714 0.3716 0.018 Uiso 1 1 calc R U . . .
C14B C 0.4605(2) 0.70710(19) 0.09608(9) 0.0119(4) Uani 1 1 d . . . . .
H14B H 0.3782 0.6662 0.0945 0.014 Uiso 1 1 calc R U . . .
C14A C 0.9888(2) 0.7737(2) 0.02051(9) 0.0161(4) Uani 1 1 d . . . . .
H14A H 0.9077 0.7303 0.0108 0.019 Uiso 1 1 calc R U . . .
C13D C -0.2798(2) 0.2997(2) 0.42248(10) 0.0181(5) Uani 1 1 d . . . . .
H13D H -0.3510 0.2961 0.4017 0.022 Uiso 1 1 calc R U . . .
C13B C 0.5060(2) 0.7621(2) 0.05406(9) 0.0164(4) Uani 1 1 d . . . . .
H13B H 0.4545 0.7601 0.0236 0.020 Uiso 1 1 calc R U . . .
C13A C 1.0408(3) 0.8685(2) -0.00354(11) 0.0240(5) Uani 1 1 d . . . . .
H13A H 0.9954 0.8906 -0.0301 0.029 Uiso 1 1 calc R U . . .
C12D C -0.2461(2) 0.3788(2) 0.47058(10) 0.0168(4) Uani 1 1 d . . . . .
H12D H -0.2949 0.4288 0.4828 0.020 Uiso 1 1 calc R U . . .
C12B C 0.6268(2) 0.8199(2) 0.05681(10) 0.0202(5) Uani 1 1 d . . . . .
H12B H 0.6580 0.8559 0.0277 0.024 Uiso 1 1 calc R U . . .
C12A C 1.1588(3) 0.9309(2) 0.01115(12) 0.0290(6) Uani 1 1 d . . . . .
H12A H 1.1939 0.9959 -0.0054 0.035 Uiso 1 1 calc R U . . .
C11D C -0.1421(2) 0.3855(2) 0.50086(10) 0.0175(4) Uani 1 1 d . . . . .
H11D H -0.1194 0.4408 0.5335 0.021 Uiso 1 1 calc R U . . .
C11B C 0.7026(2) 0.8257(2) 0.10155(11) 0.0197(5) Uani 1 1 d . . . . .
H11B H 0.7851 0.8659 0.1029 0.024 Uiso 1 1 calc R U . . .
C11A C 1.2273(2) 0.8999(2) 0.04999(12) 0.0268(6) Uani 1 1 d . . . . .
H11A H 1.3082 0.9437 0.0598 0.032 Uiso 1 1 calc R U . . .
C10D C -0.0700(2) 0.3114(2) 0.48369(9) 0.0153(4) Uani 1 1 d . . . . .
H10D H 0.0016 0.3154 0.5043 0.018 Uiso 1 1 calc R U . . .
C10B C 0.6584(2) 0.7731(2) 0.14438(10) 0.0147(4) Uani 1 1 d . . . . .
H10B H 0.7092 0.7781 0.1755 0.018 Uiso 1 1 calc R U . . .
C10A C 1.1766(2) 0.8047(2) 0.07418(10) 0.0170(4) Uani 1 1 d . . . . .
H10A H 1.2222 0.7821 0.1005 0.020 Uiso 1 1 calc R U . . .
C200 C 0.0500(2) 0.1619(2) 0.16234(10) 0.0188(5) Uani 1 1 d . . . . .
O201 O 0.04320(16) 0.22954(18) 0.26432(7) 0.0237(4) Uani 1 1 d . . . . .
F201 F -0.03124(17) 0.21350(16) 0.14717(8) 0.0355(4) Uani 1 1 d . . . . .
O202 O 0.1771(2) 0.36089(17) 0.21582(8) 0.0311(5) Uani 1 1 d . . . . .
F202 F 0.12320(17) 0.15724(19) 0.12340(7) 0.0372(4) Uani 1 1 d . . . . .
O300 O 0.33432(16) 0.38258(17) 0.33206(7) 0.0210(4) Uani 1 1 d . . . . .
S300 S 0.37723(5) 0.41302(5) 0.38873(2) 0.01308(10) Uani 1 1 d . . . . .
C300 C 0.5017(3) 0.5425(3) 0.39283(12) 0.0294(6) Uani 1 1 d . . . . .
F300 F 0.59215(16) 0.51687(19) 0.36675(9) 0.0439(5) Uani 1 1 d . . . . .
O301 O 0.43069(19) 0.32871(19) 0.40650(9) 0.0297(4) Uani 1 1 d . . . . .
F301 F 0.4710(2) 0.62513(17) 0.37098(12) 0.0599(7) Uani 1 1 d . . . . .
O302 O 0.29298(16) 0.45175(18) 0.42287(8) 0.0251(4) Uani 1 1 d . . . . .
F302 F 0.5412(2) 0.5860(3) 0.44356(9) 0.0722(9) Uani 1 1 d . . . . .
O400 O 0.08438(16) 0.53550(16) 0.33604(9) 0.0255(4) Uani 1 1 d . . . . .
F400 F -0.15623(15) 0.37295(14) 0.29468(8) 0.0307(4) Uani 1 1 d . . . . .
S400 S -0.02196(5) 0.57821(5) 0.34467(2) 0.01555(11) Uani 1 1 d . . . . .
C400 C -0.1292(2) 0.4861(2) 0.28977(10) 0.0185(5) Uani 1 1 d . . . . .
O401 O -0.00537(17) 0.69560(16) 0.33393(8) 0.0231(4) Uani 1 1 d . . . . .
F401 F -0.08519(18) 0.4946(2) 0.24248(7) 0.0404(5) Uani 1 1 d . . . . .
O402 O -0.0785(2) 0.5538(2) 0.39256(8) 0.0319(5) Uani 1 1 d . . . . .
F402 F -0.23075(15) 0.51829(16) 0.28877(8) 0.0328(4) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N3A 2.1617(19) . ?
Ag1 N2B 2.1950(18) . ?
Ag1 O100 2.5321(18) . ?
C1C N3C 1.351(3) . ?
C1C C2C 1.386(3) . ?
C1C H1C 0.9500 . ?
Ag2 N3B 2.2239(19) . ?
Ag2 N3C 2.2312(19) . ?
C2C N1C 1.366(3) . ?
C2C C3C 1.466(3) . ?
C3C C4C 1.401(3) . ?
C3C C8C 1.406(3) . ?
Ag3 N3D 2.1639(18) . ?
Ag3 N2C 2.1994(18) . ?
Ag3 O200 2.5336(19) . ?
C4C C5C 1.391(3) . ?
C4C H4C 0.9500 . ?
Ag4 O400 2.2165(18) . ?
Ag4 N2D 2.2175(19) . ?
Ag4 O201 2.5802(19) . ?
C9C C14C 1.388(3) . ?
C9C C10C 1.390(3) . ?
C9C N1C 1.438(3) . ?
C8C C7C 1.394(3) . ?
C8C H8C 0.9500 . ?
C7C C6C 1.386(4) . ?
C7C H7C 0.9500 . ?
C6C C5C 1.393(4) . ?
C6C H6C 0.9500 . ?
C5C H5C 0.9500 . ?
N1A N2A 1.352(2) . ?
N1A C2A 1.362(3) . ?
N1A C9A 1.436(3) . ?
C14C C13C 1.396(3) . ?
C14C H14C 0.9500 . ?
C13C C12C 1.388(4) . ?
C13C H13C 0.9500 . ?
C12C C11C 1.387(4) . ?
C12C H12C 0.9500 . ?
C11C C10C 1.390(3) . ?
C11C H11C 0.9500 . ?
C10C H10C 0.9500 . ?
C1A N3A 1.360(3) . ?
C1A C2A 1.382(3) . ?
C1A H1A 0.9500 . ?
N1B N2B 1.351(3) . ?
N1B C2B 1.366(3) . ?
N1B C9B 1.442(3) . ?
C1B N3B 1.355(3) . ?
C1B C2B 1.380(3) . ?
C1B H1B 0.9500 . ?
N1D N2D 1.349(2) . ?
N1D C2D 1.358(3) . ?
N1D C9D 1.449(3) . ?
C1D N3D 1.340(3) . ?
C1D C2D 1.388(3) . ?
C1D H1D 0.9500 . ?
N1C N2C 1.353(2) . ?
N2A N3A 1.311(3) . ?
C2A C3A 1.476(3) . ?
N2B N3B 1.323(3) . ?
C2B C3B 1.469(3) . ?
N2D N3D 1.325(2) . ?
C2D C3D 1.469(3) . ?
N2C N3C 1.316(3) . ?
C3A C4A 1.402(3) . ?
C3A C8A 1.403(3) . ?
C3B C4B 1.401(3) . ?
C3B C8B 1.403(3) . ?
C3D C8D 1.396(3) . ?
C3D C4D 1.405(3) . ?
O100 S100 1.4565(19) . ?
S100 O101 1.436(2) . ?
S100 O102 1.439(2) . ?
S100 C100 1.813(3) . ?
C9D C10D 1.385(3) . ?
C9D C14D 1.385(3) . ?
C9B C14B 1.386(3) . ?
C9B C10B 1.391(3) . ?
C9A C10A 1.385(3) . ?
C9A C14A 1.393(3) . ?
C8D C7D 1.394(3) . ?
C8D H8D 0.9500 . ?
C8B C7B 1.394(3) . ?
C8B H8B 0.9500 . ?
C8A C7A 1.393(3) . ?
C8A H8A 0.9500 . ?
C7D C6D 1.394(3) . ?
C7D H7D 0.9500 . ?
C7B C6B 1.395(3) . ?
C7B H7B 0.9500 . ?
C7A C6A 1.396(4) . ?
C7A H7A 0.9500 . ?
C6D C5D 1.386(4) . ?
C6D H6D 0.9500 . ?
C6B C5B 1.393(4) . ?
C6B H6B 0.9500 . ?
C6A C5A 1.389(4) . ?
C6A H6A 0.9500 . ?
C5D C4D 1.385(3) . ?
C5D H5D 0.9500 . ?
C5B C4B 1.392(3) . ?
C5B H5B 0.9500 . ?
C5A C4A 1.397(3) . ?
C5A H5A 0.9500 . ?
C4D H4D 0.9500 . ?
C4B H4B 0.9500 . ?
C4A H4A 0.9500 . ?
C100 F102 1.298(4) . ?
C100 F101 1.326(3) . ?
C100 F100 1.346(4) . ?
O200 S200 1.4495(18) . ?
F200 C200 1.330(3) . ?
S200 O202 1.434(2) . ?
S200 O201 1.4440(19) . ?
S200 C200 1.831(2) . ?
C14D C13D 1.391(3) . ?
C14D H14D 0.9500 . ?
C14B C13B 1.391(3) . ?
C14B H14B 0.9500 . ?
C14A C13A 1.387(4) . ?
C14A H14A 0.9500 . ?
C13D C12D 1.386(3) . ?
C13D H13D 0.9500 . ?
C13B C12B 1.386(4) . ?
C13B H13B 0.9500 . ?
C13A C12A 1.382(4) . ?
C13A H13A 0.9500 . ?
C12D C11D 1.382(4) . ?
C12D H12D 0.9500 . ?
C12B C11B 1.388(4) . ?
C12B H12B 0.9500 . ?
C12A C11A 1.396(4) . ?
C12A H12A 0.9500 . ?
C11D C10D 1.401(3) . ?
C11D H11D 0.9500 . ?
C11B C10B 1.390(3) . ?
C11B H11B 0.9500 . ?
C11A C10A 1.389(4) . ?
C11A H11A 0.9500 . ?
C10D H10D 0.9500 . ?
C10B H10B 0.9500 . ?
C10A H10A 0.9500 . ?
C200 F202 1.328(3) . ?
C200 F201 1.330(3) . ?
O300 S300 1.4542(18) . ?
S300 O301 1.435(2) . ?
S300 O302 1.4432(17) . ?
S300 C300 1.810(3) . ?
C300 F302 1.319(4) . ?
C300 F301 1.326(4) . ?
C300 F300 1.335(3) . ?
O400 S400 1.4638(19) . ?
F400 C400 1.337(3) . ?
S400 O402 1.436(2) . ?
S400 O401 1.4410(19) . ?
S400 C400 1.829(3) . ?
C400 F401 1.327(3) . ?
C400 F402 1.332(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3A Ag1 N2B 157.94(7) . . ?
N3A Ag1 O100 107.31(7) . . ?
N2B Ag1 O100 94.75(7) . . ?
N3C C1C C2C 108.94(18) . . ?
N3C C1C H1C 125.5 . . ?
C2C C1C H1C 125.5 . . ?
N3B Ag2 N3C 157.32(7) . . ?
N1C C2C C1C 103.88(17) . . ?
N1C C2C C3C 126.52(19) . . ?
C1C C2C C3C 129.56(19) . . ?
C4C C3C C8C 119.75(19) . . ?
C4C C3C C2C 122.67(19) . . ?
C8C C3C C2C 117.56(19) . . ?
N3D Ag3 N2C 154.45(7) . . ?
N3D Ag3 O200 112.57(7) . . ?
N2C Ag3 O200 90.37(6) . . ?
C5C C4C C3C 120.1(2) . . ?
C5C C4C H4C 120.0 . . ?
C3C C4C H4C 120.0 . . ?
O400 Ag4 N2D 162.84(7) . . ?
O400 Ag4 O201 101.06(7) . . ?
N2D Ag4 O201 82.37(7) . . ?
C14C C9C C10C 121.8(2) . . ?
C14C C9C N1C 118.80(19) . . ?
C10C C9C N1C 119.39(19) . . ?
C7C C8C C3C 119.3(2) . . ?
C7C C8C H8C 120.4 . . ?
C3C C8C H8C 120.4 . . ?
C6C C7C C8C 120.8(2) . . ?
C6C C7C H7C 119.6 . . ?
C8C C7C H7C 119.6 . . ?
C7C C6C C5C 120.0(2) . . ?
C7C C6C H6C 120.0 . . ?
C5C C6C H6C 120.0 . . ?
C4C C5C C6C 120.1(2) . . ?
C4C C5C H5C 119.9 . . ?
C6C C5C H5C 119.9 . . ?
N2A N1A C2A 111.89(18) . . ?
N2A N1A C9A 116.96(18) . . ?
C2A N1A C9A 131.15(18) . . ?
C9C C14C C13C 119.0(2) . . ?
C9C C14C H14C 120.5 . . ?
C13C C14C H14C 120.5 . . ?
C12C C13C C14C 119.6(2) . . ?
C12C C13C H13C 120.2 . . ?
C14C C13C H13C 120.2 . . ?
C11C C12C C13C 120.6(2) . . ?
C11C C12C H12C 119.7 . . ?
C13C C12C H12C 119.7 . . ?
C12C C11C C10C 120.4(2) . . ?
C12C C11C H11C 119.8 . . ?
C10C C11C H11C 119.8 . . ?
C11C C10C C9C 118.5(2) . . ?
C11C C10C H10C 120.8 . . ?
C9C C10C H10C 120.8 . . ?
N3A C1A C2A 108.1(2) . . ?
N3A C1A H1A 126.0 . . ?
C2A C1A H1A 126.0 . . ?
N2B N1B C2B 110.36(17) . . ?
N2B N1B C9B 119.30(17) . . ?
C2B N1B C9B 129.89(18) . . ?
N3B C1B C2B 108.81(19) . . ?
N3B C1B H1B 125.6 . . ?
C2B C1B H1B 125.6 . . ?
N2D N1D C2D 111.01(17) . . ?
N2D N1D C9D 116.98(18) . . ?
C2D N1D C9D 131.76(18) . . ?
N3D C1D C2D 109.02(19) . . ?
N3D C1D H1D 125.5 . . ?
C2D C1D H1D 125.5 . . ?
N2C N1C C2C 110.49(17) . . ?
N2C N1C C9C 119.18(16) . . ?
C2C N1C C9C 130.31(18) . . ?
N3A N2A N1A 105.91(18) . . ?
N1A C2A C1A 103.69(19) . . ?
N1A C2A C3A 126.9(2) . . ?
C1A C2A C3A 129.4(2) . . ?
N3B N2B N1B 107.50(17) . . ?
N3B N2B Ag1 128.33(14) . . ?
N1B N2B Ag1 123.85(14) . . ?
N1B C2B C1B 104.36(18) . . ?
N1B C2B C3B 126.36(19) . . ?
C1B C2B C3B 129.27(19) . . ?
N3D N2D N1D 106.91(17) . . ?
N3D N2D Ag4 124.66(14) . . ?
N1D N2D Ag4 127.71(14) . . ?
N1D C2D C1D 103.78(18) . . ?
N1D C2D C3D 128.37(19) . . ?
C1D C2D C3D 127.8(2) . . ?
N3C N2C N1C 107.53(16) . . ?
N3C N2C Ag3 123.03(14) . . ?
N1C N2C Ag3 128.21(14) . . ?
N2A N3A C1A 110.45(19) . . ?
N2A N3A Ag1 116.88(14) . . ?
C1A N3A Ag1 132.16(16) . . ?
C4A C3A C8A 119.6(2) . . ?
C4A C3A C2A 117.7(2) . . ?
C8A C3A C2A 122.7(2) . . ?
N2B N3B C1B 108.97(18) . . ?
N2B N3B Ag2 124.78(14) . . ?
C1B N3B Ag2 122.71(15) . . ?
C4B C3B C8B 120.1(2) . . ?
C4B C3B C2B 117.34(19) . . ?
C8B C3B C2B 122.48(19) . . ?
N2C N3C C1C 109.16(18) . . ?
N2C N3C Ag2 120.78(13) . . ?
C1C N3C Ag2 130.05(15) . . ?
N2D N3D C1D 109.28(17) . . ?
N2D N3D Ag3 119.21(14) . . ?
C1D N3D Ag3 131.10(15) . . ?
C8D C3D C4D 119.5(2) . . ?
C8D C3D C2D 123.6(2) . . ?
C4D C3D C2D 116.87(19) . . ?
S100 O100 Ag1 100.84(9) . . ?
O101 S100 O102 115.29(15) . . ?
O101 S100 O100 113.42(13) . . ?
O102 S100 O100 113.92(12) . . ?
O101 S100 C100 104.12(16) . . ?
O102 S100 C100 105.14(14) . . ?
O100 S100 C100 103.23(13) . . ?
C10D C9D C14D 122.1(2) . . ?
C10D C9D N1D 119.87(19) . . ?
C14D C9D N1D 117.99(18) . . ?
C14B C9B C10B 122.4(2) . . ?
C14B C9B N1B 117.91(18) . . ?
C10B C9B N1B 119.7(2) . . ?
C10A C9A C14A 122.3(2) . . ?
C10A C9A N1A 119.5(2) . . ?
C14A C9A N1A 118.20(19) . . ?
C7D C8D C3D 119.6(2) . . ?
C7D C8D H8D 120.2 . . ?
C3D C8D H8D 120.2 . . ?
C7B C8B C3B 119.8(2) . . ?
C7B C8B H8B 120.1 . . ?
C3B C8B H8B 120.1 . . ?
C7A C8A C3A 119.8(2) . . ?
C7A C8A H8A 120.1 . . ?
C3A C8A H8A 120.1 . . ?
C6D C7D C8D 120.8(2) . . ?
C6D C7D H7D 119.6 . . ?
C8D C7D H7D 119.6 . . ?
C8B C7B C6B 119.9(2) . . ?
C8B C7B H7B 120.1 . . ?
C6B C7B H7B 120.1 . . ?
C8A C7A C6A 120.3(2) . . ?
C8A C7A H7A 119.9 . . ?
C6A C7A H7A 119.9 . . ?
C5D C6D C7D 119.5(2) . . ?
C5D C6D H6D 120.3 . . ?
C7D C6D H6D 120.3 . . ?
C5B C6B C7B 120.3(2) . . ?
C5B C6B H6B 119.8 . . ?
C7B C6B H6B 119.8 . . ?
C5A C6A C7A 120.2(2) . . ?
C5A C6A H6A 119.9 . . ?
C7A C6A H6A 119.9 . . ?
C4D C5D C6D 120.5(2) . . ?
C4D C5D H5D 119.7 . . ?
C6D C5D H5D 119.7 . . ?
C4B C5B C6B 120.3(2) . . ?
C4B C5B H5B 119.9 . . ?
C6B C5B H5B 119.9 . . ?
C6A C5A C4A 119.9(2) . . ?
C6A C5A H5A 120.1 . . ?
C4A C5A H5A 120.1 . . ?
C5D C4D C3D 120.2(2) . . ?
C5D C4D H4D 119.9 . . ?
C3D C4D H4D 119.9 . . ?
C5B C4B C3B 119.6(2) . . ?
C5B C4B H4B 120.2 . . ?
C3B C4B H4B 120.2 . . ?
C5A C4A C3A 120.2(2) . . ?
C5A C4A H4A 119.9 . . ?
C3A C4A H4A 119.9 . . ?
F102 C100 F101 107.4(3) . . ?
F102 C100 F100 108.7(3) . . ?
F101 C100 F100 107.3(3) . . ?
F102 C100 S100 112.0(2) . . ?
F101 C100 S100 111.5(2) . . ?
F100 C100 S100 109.7(2) . . ?
S200 O200 Ag3 117.22(10) . . ?
O202 S200 O201 115.20(13) . . ?
O202 S200 O200 114.82(13) . . ?
O201 S200 O200 114.21(12) . . ?
O202 S200 C200 103.58(12) . . ?
O201 S200 C200 103.52(12) . . ?
O200 S200 C200 103.32(11) . . ?
C9D C14D C13D 119.0(2) . . ?
C9D C14D H14D 120.5 . . ?
C13D C14D H14D 120.5 . . ?
C9B C14B C13B 118.7(2) . . ?
C9B C14B H14B 120.6 . . ?
C13B C14B H14B 120.6 . . ?
C13A C14A C9A 118.5(2) . . ?
C13A C14A H14A 120.7 . . ?
C9A C14A H14A 120.7 . . ?
C12D C13D C14D 119.9(2) . . ?
C12D C13D H13D 120.1 . . ?
C14D C13D H13D 120.1 . . ?
C12B C13B C14B 119.7(2) . . ?
C12B C13B H13B 120.1 . . ?
C14B C13B H13B 120.1 . . ?
C12A C13A C14A 119.9(3) . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C11D C12D C13D 120.5(2) . . ?
C11D C12D H12D 119.7 . . ?
C13D C12D H12D 119.7 . . ?
C13B C12B C11B 120.8(2) . . ?
C13B C12B H12B 119.6 . . ?
C11B C12B H12B 119.6 . . ?
C13A C12A C11A 121.0(3) . . ?
C13A C12A H12A 119.5 . . ?
C11A C12A H12A 119.5 . . ?
C12D C11D C10D 120.4(2) . . ?
C12D C11D H11D 119.8 . . ?
C10D C11D H11D 119.8 . . ?
C12B C11B C10B 120.3(2) . . ?
C12B C11B H11B 119.8 . . ?
C10B C11B H11B 119.8 . . ?
C10A C11A C12A 119.7(2) . . ?
C10A C11A H11A 120.1 . . ?
C12A C11A H11A 120.1 . . ?
C9D C10D C11D 118.1(2) . . ?
C9D C10D H10D 121.0 . . ?
C11D C10D H10D 121.0 . . ?
C11B C10B C9B 118.0(2) . . ?
C11B C10B H10B 121.0 . . ?
C9B C10B H10B 121.0 . . ?
C9A C10A C11A 118.5(2) . . ?
C9A C10A H10A 120.7 . . ?
C11A C10A H10A 120.7 . . ?
F202 C200 F201 107.6(2) . . ?
F202 C200 F200 107.8(2) . . ?
F201 C200 F200 107.8(2) . . ?
F202 C200 S200 110.93(17) . . ?
F201 C200 S200 110.84(17) . . ?
F200 C200 S200 111.68(18) . . ?
S200 O201 Ag4 116.98(10) . . ?
O301 S300 O302 116.09(13) . . ?
O301 S300 O300 113.36(12) . . ?
O302 S300 O300 113.20(11) . . ?
O301 S300 C300 103.77(15) . . ?
O302 S300 C300 104.57(13) . . ?
O300 S300 C300 104.13(13) . . ?
F302 C300 F301 108.7(3) . . ?
F302 C300 F300 108.1(3) . . ?
F301 C300 F300 107.0(3) . . ?
F302 C300 S300 109.9(2) . . ?
F301 C300 S300 111.8(2) . . ?
F300 C300 S300 111.1(2) . . ?
S400 O400 Ag4 121.86(12) . . ?
O402 S400 O401 116.48(13) . . ?
O402 S400 O400 115.02(13) . . ?
O401 S400 O400 112.41(11) . . ?
O402 S400 C400 104.30(12) . . ?
O401 S400 C400 103.89(12) . . ?
O400 S400 C400 102.61(12) . . ?
F401 C400 F402 107.4(2) . . ?
F401 C400 F400 107.9(2) . . ?
F402 C400 F400 107.9(2) . . ?
F401 C400 S400 110.95(18) . . ?
F402 C400 S400 111.32(17) . . ?
F400 C400 S400 111.23(18) . . ?

_refine_diff_density_max         2.166
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.133

