# 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_Complex1
_database_code_depnum_ccdc_archive 'CCDC 1836993'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        Complex1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H104 O20 P4 Sn6'
_chemical_formula_weight         1789.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Sn Sn -0.6537 1.4246 '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                   10.6070(13)
_cell_length_b                   16.984(2)
_cell_length_c                   19.941(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.564(3)
_cell_angle_gamma                90
_cell_volume                     3585.6(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9057
_cell_measurement_theta_min      2.9735
_cell_measurement_theta_max      25.4413

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_F_000             1776
_exptl_transmission_factor_min   0.0622
_exptl_transmission_factor_max   0.0917
_exptl_crystal_size_max          0.146
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    2.204
_shelx_estimated_absorpt_T_min   0.739
_shelx_estimated_absorpt_T_max   0.806
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.739
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_process_details   'SADABS-2014/2 (Bruker,2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20980
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.973
_diffrn_reflns_theta_max         24.257
_diffrn_reflns_theta_full        24.257
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             5753
_reflns_number_gt                4948
_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       'Apex2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0218P)²+22.9111P] 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         5753
_refine_ls_number_parameters     340
_refine_ls_number_restraints     296
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0522
_refine_ls_wR_factor_ref         0.1156
_refine_ls_wR_factor_gt          0.1079
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_restrained_S_all      1.181
_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
Sn1 Sn 0.34811(5) 0.42824(3) 0.59102(2) 0.05260(16) Uani 1 1 d . U . . .
Sn2 Sn 0.59372(5) 0.34873(3) 0.47948(3) 0.05547(16) Uani 1 1 d . U . . .
Sn3 Sn 0.28750(6) 0.36695(3) 0.43413(3) 0.06072(18) Uani 1 1 d . U . . .
P1 P 0.66084(19) 0.44463(12) 0.62494(10) 0.0537(5) Uani 1 1 d . U . . .
P2 P 0.3863(2) 0.24710(13) 0.55088(11) 0.0664(6) Uani 1 1 d . U . . .
O1 O 0.6848(5) 0.3885(3) 0.5681(3) 0.0642(13) Uani 1 1 d . U . . .
O2 O 0.5208(5) 0.4540(3) 0.6365(2) 0.0601(12) Uani 1 1 d . U . . .
O3 O 0.7229(5) 0.5240(3) 0.6150(3) 0.0670(14) Uani 1 1 d . U . . .
O4 O 0.5227(6) 0.2524(3) 0.5309(3) 0.0703(14) Uani 1 1 d . U . . .
O5 O 0.3607(6) 0.3055(3) 0.6066(3) 0.0680(14) Uani 1 1 d . U . . .
O6 O 0.2939(6) 0.2592(3) 0.4899(3) 0.0767(16) Uani 1 1 d . U . . .
O7 O 0.4298(4) 0.4058(3) 0.5019(2) 0.0485(10) Uani 1 1 d . U . . .
O8 O 0.6708(5) 0.4523(3) 0.4394(3) 0.0670(14) Uani 1 1 d . U . . .
O101 O 0.4605(6) 0.3341(3) 0.3944(3) 0.0666(13) Uani 1 1 d . U . . .
O102 O 0.1923(5) 0.4141(4) 0.5152(3) 0.0678(14) Uani 1 1 d . U . . .
C1 C 0.7350(8) 0.4013(5) 0.7007(4) 0.0631(19) Uani 1 1 d . U . . .
C2 C 0.8775(8) 0.3922(6) 0.6924(5) 0.087(3) Uani 1 1 d . U . . .
H2A H 0.9142 0.4431 0.6858 0.130 Uiso 1 1 calc R U . . .
H2B H 0.9169 0.3685 0.7321 0.130 Uiso 1 1 calc R U . . .
H2C H 0.8905 0.3594 0.6543 0.130 Uiso 1 1 calc R U . . .
C3 C 0.7141(11) 0.4562(7) 0.7602(4) 0.097(3) Uani 1 1 d . U . . .
H3A H 0.7526 0.5063 0.7526 0.145 Uiso 1 1 calc R U . . .
H3B H 0.6251 0.4633 0.7644 0.145 Uiso 1 1 calc R U . . .
H3C H 0.7514 0.4334 0.8008 0.145 Uiso 1 1 calc R U . . .
C4 C 0.6748(10) 0.3213(6) 0.7114(5) 0.087(3) Uani 1 1 d . U . . .
H4A H 0.6888 0.2878 0.6738 0.130 Uiso 1 1 calc R U . . .
H4B H 0.7120 0.2978 0.7517 0.130 Uiso 1 1 calc R U . . .
H4C H 0.5857 0.3277 0.7153 0.130 Uiso 1 1 calc R U . . .
C5 C 0.3652(11) 0.1489(5) 0.5851(5) 0.088(3) Uani 1 1 d . U . . .
C6 C 0.4594(14) 0.1384(7) 0.6451(6) 0.122(4) Uani 1 1 d . U . . .
H6A H 0.4432 0.1769 0.6788 0.183 Uiso 1 1 calc R U . . .
H6B H 0.4509 0.0866 0.6634 0.183 Uiso 1 1 calc R U . . .
H6C H 0.5436 0.1453 0.6310 0.183 Uiso 1 1 calc R U . . .
C7 C 0.3902(17) 0.0889(6) 0.5322(6) 0.144(5) Uani 1 1 d . U . . .
H7A H 0.4756 0.0941 0.5196 0.216 Uiso 1 1 calc R U . . .
H7B H 0.3777 0.0370 0.5498 0.216 Uiso 1 1 calc R U . . .
H7C H 0.3331 0.0972 0.4936 0.216 Uiso 1 1 calc R U . . .
C8 C 0.2303(13) 0.1419(8) 0.6060(8) 0.150(5) Uani 1 1 d . U . . .
H8A H 0.2158 0.1806 0.6397 0.226 Uiso 1 1 calc R U . . .
H8B H 0.1727 0.1504 0.5676 0.226 Uiso 1 1 calc R U . . .
H8C H 0.2172 0.0902 0.6238 0.226 Uiso 1 1 calc R U . . .
C9 C 0.1479(11) 0.3162(7) 0.3671(5) 0.101(3) Uani 1 1 d D U . . .
H9A H 0.1916 0.2789 0.3399 0.121 Uiso 1 1 calc R U . . .
H9B H 0.0938 0.2854 0.3945 0.121 Uiso 1 1 calc R U . . .
C10 C 0.0661(15) 0.3594(9) 0.3219(8) 0.171(7) Uani 1 1 d D U . . .
H10A H 0.1179 0.3919 0.2945 0.205 Uiso 1 1 calc R U . . .
H10B H 0.0167 0.3947 0.3481 0.205 Uiso 1 1 calc R U . . .
C11 C -0.0217(17) 0.3145(10) 0.2766(8) 0.170(7) Uani 1 1 d D U . . .
C12A C -0.061(3) 0.3526(13) 0.2141(11) 0.188(12) Uani 0.82(3) 1 d D U P A 1
H12A H -0.1175 0.3188 0.1882 0.282 Uiso 0.82(3) 1 calc R U P A 1
H12B H -0.1025 0.4012 0.2232 0.282 Uiso 0.82(3) 1 calc R U P A 1
H12C H 0.0122 0.3632 0.1893 0.282 Uiso 0.82(3) 1 calc R U P A 1
C12B C -0.140(4) 0.364(3) 0.266(4) 0.138(19) Uani 0.18(3) 1 d D U P A 2
H12D H -0.2003 0.3372 0.2364 0.207 Uiso 0.18(3) 1 calc R U P A 2
H12E H -0.1754 0.3734 0.3083 0.207 Uiso 0.18(3) 1 calc R U P A 2
H12F H -0.1187 0.4137 0.2462 0.207 Uiso 0.18(3) 1 calc R U P A 2
C13 C 0.2430(10) 0.4459(7) 0.6786(5) 0.091(3) Uani 1 1 d D U . . .
H13A H 0.2387 0.5022 0.6862 0.109 Uiso 1 1 calc R U . . .
H13B H 0.1573 0.4282 0.6675 0.109 Uiso 1 1 calc R U . . .
C14 C 0.2821(19) 0.4119(13) 0.7380(5) 0.207(8) Uani 1 1 d D U . . .
H14A H 0.3694 0.4275 0.7473 0.248 Uiso 1 1 calc R U . . .
H14B H 0.2825 0.3555 0.7303 0.248 Uiso 1 1 calc R U . . .
C15 C 0.222(2) 0.4240(18) 0.7962(7) 0.289(9) Uani 1 1 d D U . . .
H15A H 0.1640 0.4678 0.7890 0.346 Uiso 1 1 calc R U . . .
H15B H 0.1714 0.3777 0.8044 0.346 Uiso 1 1 calc R U . . .
C16 C 0.296(2) 0.4387(18) 0.8518(8) 0.289(9) Uani 1 1 d D U . . .
H16A H 0.2438 0.4461 0.8892 0.433 Uiso 1 1 calc R U . . .
H16B H 0.3516 0.3950 0.8608 0.433 Uiso 1 1 calc R U . . .
H16C H 0.3441 0.4854 0.8454 0.433 Uiso 1 1 calc R U . . .
C17 C 0.7472(10) 0.2807(6) 0.4452(6) 0.096(3) Uani 1 1 d D U . . .
H17A H 0.7305 0.2722 0.3973 0.115 Uiso 1 1 calc R U . . .
H17B H 0.8226 0.3130 0.4505 0.115 Uiso 1 1 calc R U . . .
C18 C 0.7764(15) 0.2066(8) 0.4747(11) 0.199(7) Uani 1 1 d D U . . .
H18A H 0.7028 0.1735 0.4656 0.238 Uiso 1 1 calc R U . . .
H18B H 0.7837 0.2150 0.5229 0.238 Uiso 1 1 calc R U . . .
C19 C 0.8825(18) 0.1612(11) 0.4589(14) 0.250(10) Uani 1 1 d D U . . .
H19A H 0.8795 0.1553 0.4105 0.300 Uiso 1 1 calc R U . . .
H19B H 0.9575 0.1918 0.4717 0.300 Uiso 1 1 calc R U . . .
C20 C 0.900(2) 0.0859(12) 0.4871(18) 0.357(18) Uani 1 1 d D U . . .
H20A H 0.9751 0.0628 0.4717 0.535 Uiso 1 1 calc R U . . .
H20B H 0.9068 0.0900 0.5352 0.535 Uiso 1 1 calc R U . . .
H20C H 0.8284 0.0533 0.4737 0.535 Uiso 1 1 calc R U . . .
C101 C 0.4844(14) 0.3215(12) 0.3285(6) 0.179(8) Uani 1 1 d . U . . .
H10C H 0.4309 0.3549 0.3002 0.268 Uiso 1 1 calc R U . . .
H10D H 0.4677 0.2674 0.3172 0.268 Uiso 1 1 calc R U . . .
H10E H 0.5713 0.3334 0.3220 0.268 Uiso 1 1 calc R U . . .
C102 C 0.0692(10) 0.3887(10) 0.5303(7) 0.146(6) Uani 1 1 d . U . . .
H10F H 0.0193 0.4335 0.5412 0.219 Uiso 1 1 calc R U . . .
H10G H 0.0756 0.3532 0.5678 0.219 Uiso 1 1 calc R U . . .
H10H H 0.0298 0.3623 0.4919 0.219 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
Sn1 O2 2.040(5) . ?
Sn1 O7 2.061(4) . ?
Sn1 O5 2.110(6) . ?
Sn1 O8 2.123(5) 3_666 ?
Sn1 C13 2.150(8) . ?
Sn1 O102 2.182(5) . ?
Sn2 O7 2.063(5) . ?
Sn2 O1 2.073(5) . ?
Sn2 O4 2.096(5) . ?
Sn2 O8 2.117(5) . ?
Sn2 C17 2.142(9) . ?
Sn2 O101 2.154(6) . ?
Sn3 O7 2.070(5) . ?
Sn3 O3 2.095(5) 3_666 ?
Sn3 C9 2.116(9) . ?
Sn3 O102 2.117(6) . ?
Sn3 O101 2.119(6) . ?
Sn3 O6 2.140(6) . ?
P1 O1 1.515(6) . ?
P1 O3 1.519(6) . ?
P1 O2 1.526(5) . ?
P1 C1 1.816(8) . ?
P2 O5 1.526(6) . ?
P2 O4 1.527(6) . ?
P2 O6 1.528(6) . ?
P2 C5 1.821(9) . ?
O3 Sn3 2.095(5) 3_666 ?
O8 Sn1 2.123(5) 3_666 ?
O101 C101 1.370(11) . ?
O102 C102 1.424(11) . ?
C1 C4 1.523(12) . ?
C1 C3 1.536(12) . ?
C1 C2 1.538(12) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C7 1.501(15) . ?
C5 C8 1.520(16) . ?
C5 C6 1.521(15) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.416(13) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.471(12) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12A 1.441(12) . ?
C11 C12B 1.52(2) . ?
C12A H12A 0.9600 . ?
C12A H12B 0.9600 . ?
C12A H12C 0.9600 . ?
C12B H12D 0.9600 . ?
C12B H12E 0.9600 . ?
C12B H12F 0.9600 . ?
C13 C14 1.359(13) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.375(16) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.341(18) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.416(13) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.416(15) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.405(17) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C101 H10C 0.9600 . ?
C101 H10D 0.9600 . ?
C101 H10E 0.9600 . ?
C102 H10F 0.9600 . ?
C102 H10G 0.9600 . ?
C102 H10H 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
O2 Sn1 O7 90.50(19) . . ?
O2 Sn1 O5 95.7(2) . . ?
O7 Sn1 O5 85.30(19) . . ?
O2 Sn1 O8 89.3(2) . 3_666 ?
O7 Sn1 O8 88.10(19) . 3_666 ?
O5 Sn1 O8 171.7(2) . 3_666 ?
O2 Sn1 C13 96.1(3) . . ?
O7 Sn1 C13 173.3(3) . . ?
O5 Sn1 C13 92.9(3) . . ?
O8 Sn1 C13 93.1(3) 3_666 . ?
O2 Sn1 O102 162.1(2) . . ?
O7 Sn1 O102 73.94(19) . . ?
O5 Sn1 O102 91.8(2) . . ?
O8 Sn1 O102 81.5(2) 3_666 . ?
C13 Sn1 O102 99.7(3) . . ?
O7 Sn2 O1 91.0(2) . . ?
O7 Sn2 O4 85.8(2) . . ?
O1 Sn2 O4 90.0(2) . . ?
O7 Sn2 O8 92.35(19) . . ?
O1 Sn2 O8 83.1(2) . . ?
O4 Sn2 O8 172.8(2) . . ?
O7 Sn2 C17 171.7(4) . . ?
O1 Sn2 C17 97.2(4) . . ?
O4 Sn2 C17 92.2(3) . . ?
O8 Sn2 C17 90.5(3) . . ?
O7 Sn2 O101 72.8(2) . . ?
O1 Sn2 O101 163.1(2) . . ?
O4 Sn2 O101 93.3(2) . . ?
O8 Sn2 O101 92.8(2) . . ?
C17 Sn2 O101 99.2(4) . . ?
O7 Sn3 O3 92.19(19) . 3_666 ?
O7 Sn3 C9 174.6(3) . . ?
O3 Sn3 C9 92.9(3) 3_666 . ?
O7 Sn3 O102 75.18(19) . . ?
O3 Sn3 O102 90.5(2) 3_666 . ?
C9 Sn3 O102 106.8(4) . . ?
O7 Sn3 O101 73.42(19) . . ?
O3 Sn3 O101 94.6(2) 3_666 . ?
C9 Sn3 O101 104.2(4) . . ?
O102 Sn3 O101 148.3(2) . . ?
O7 Sn3 O6 86.3(2) . . ?
O3 Sn3 O6 176.3(2) 3_666 . ?
C9 Sn3 O6 88.8(3) . . ?
O102 Sn3 O6 85.9(2) . . ?
O101 Sn3 O6 88.2(2) . . ?
O1 P1 O3 111.5(3) . . ?
O1 P1 O2 112.9(3) . . ?
O3 P1 O2 111.2(3) . . ?
O1 P1 C1 106.5(4) . . ?
O3 P1 C1 107.4(4) . . ?
O2 P1 C1 107.0(3) . . ?
O5 P2 O4 111.4(3) . . ?
O5 P2 O6 110.9(4) . . ?
O4 P2 O6 110.9(3) . . ?
O5 P2 C5 106.9(4) . . ?
O4 P2 C5 107.0(5) . . ?
O6 P2 C5 109.5(4) . . ?
P1 O1 Sn2 138.8(3) . . ?
P1 O2 Sn1 140.0(3) . . ?
P1 O3 Sn3 146.6(3) . 3_666 ?
P2 O4 Sn2 123.3(3) . . ?
P2 O5 Sn1 123.2(3) . . ?
P2 O6 Sn3 121.8(3) . . ?
Sn1 O7 Sn2 132.7(2) . . ?
Sn1 O7 Sn3 107.0(2) . . ?
Sn2 O7 Sn3 107.4(2) . . ?
Sn2 O8 Sn1 150.5(3) . 3_666 ?
C101 O101 Sn3 128.0(8) . . ?
C101 O101 Sn2 128.5(7) . . ?
Sn3 O101 Sn2 102.5(2) . . ?
C102 O102 Sn3 122.2(7) . . ?
C102 O102 Sn1 123.5(6) . . ?
Sn3 O102 Sn1 101.2(2) . . ?
C4 C1 C3 110.6(8) . . ?
C4 C1 C2 110.4(8) . . ?
C3 C1 C2 109.5(8) . . ?
C4 C1 P1 108.3(6) . . ?
C3 C1 P1 108.7(6) . . ?
C2 C1 P1 109.2(6) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C7 C5 C8 110.4(11) . . ?
C7 C5 C6 109.7(11) . . ?
C8 C5 C6 111.0(11) . . ?
C7 C5 P2 109.1(7) . . ?
C8 C5 P2 108.3(8) . . ?
C6 C5 P2 108.2(7) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Sn3 124.6(8) . . ?
C10 C9 H9A 106.2 . . ?
Sn3 C9 H9A 106.2 . . ?
C10 C9 H9B 106.2 . . ?
Sn3 C9 H9B 106.2 . . ?
H9A C9 H9B 106.4 . . ?
C9 C10 C11 117.5(13) . . ?
C9 C10 H10A 107.9 . . ?
C11 C10 H10A 107.9 . . ?
C9 C10 H10B 107.9 . . ?
C11 C10 H10B 107.9 . . ?
H10A C10 H10B 107.2 . . ?
C12A C11 C10 115.8(14) . . ?
C10 C11 C12B 107(3) . . ?
C11 C12A H12A 109.5 . . ?
C11 C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C11 C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C11 C12B H12D 109.5 . . ?
C11 C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11 C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C14 C13 Sn1 120.2(9) . . ?
C14 C13 H13A 107.3 . . ?
Sn1 C13 H13A 107.3 . . ?
C14 C13 H13B 107.3 . . ?
Sn1 C13 H13B 107.3 . . ?
H13A C13 H13B 106.9 . . ?
C13 C14 C15 122.7(19) . . ?
C13 C14 H14A 106.7 . . ?
C15 C14 H14A 106.7 . . ?
C13 C14 H14B 106.7 . . ?
C15 C14 H14B 106.7 . . ?
H14A C14 H14B 106.6 . . ?
C16 C15 C14 117(2) . . ?
C16 C15 H15A 108.1 . . ?
C14 C15 H15A 108.1 . . ?
C16 C15 H15B 108.1 . . ?
C14 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Sn2 119.8(9) . . ?
C18 C17 H17A 107.4 . . ?
Sn2 C17 H17A 107.4 . . ?
C18 C17 H17B 107.4 . . ?
Sn2 C17 H17B 107.4 . . ?
H17A C17 H17B 106.9 . . ?
C17 C18 C19 123.2(16) . . ?
C17 C18 H18A 106.5 . . ?
C19 C18 H18A 106.5 . . ?
C17 C18 H18B 106.5 . . ?
C19 C18 H18B 106.5 . . ?
H18A C18 H18B 106.5 . . ?
C20 C19 C18 119(2) . . ?
C20 C19 H19A 107.5 . . ?
C18 C19 H19A 107.5 . . ?
C20 C19 H19B 107.5 . . ?
C18 C19 H19B 107.5 . . ?
H19A C19 H19B 107.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O101 C101 H10C 109.5 . . ?
O101 C101 H10D 109.5 . . ?
H10C C101 H10D 109.5 . . ?
O101 C101 H10E 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
O102 C102 H10F 109.5 . . ?
O102 C102 H10G 109.5 . . ?
H10F C102 H10G 109.5 . . ?
O102 C102 H10H 109.5 . . ?
H10F C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?

_refine_diff_density_max         1.033
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.122

# start Validation Reply Form
_vrf_PLAT910_Complex1            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 11 Note  
RESPONSE:Theta min = 2.973 deg. The theta value of the missing reflections 
are less than 2.973 deg. and therefore reflections 
were excluded                                       
;
# 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_Complex2
_database_code_depnum_ccdc_archive 'CCDC 1836994'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        Compex2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H187 Ag12 Cl O34 P6 Sn6'
_chemical_formula_weight         3993.19

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'
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'
Cl Cl 0.1484 0.1585 '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'
Sn Sn -0.6537 1.4246 '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                   14.2975(11)
_cell_length_b                   15.2821(11)
_cell_length_c                   17.9075(13)
_cell_angle_alpha                70.495(2)
_cell_angle_beta                 80.824(2)
_cell_angle_gamma                65.193(2)
_cell_volume                     3347.0(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9930
_cell_measurement_theta_min      2.9018
_cell_measurement_theta_max      25.3434

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_F_000             1946
_exptl_transmission_factor_min   0.061
_exptl_transmission_factor_max   0.0916
_exptl_crystal_size_max          0.146
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    2.962
_shelx_estimated_absorpt_T_min   0.672
_shelx_estimated_absorpt_T_max   0.752
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_T_max  0.752
_exptl_absorpt_process_details   'SADABS-2014/2 (Bruker,2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20619
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.902
_diffrn_reflns_theta_max         24.256
_diffrn_reflns_theta_full        24.256
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             10751
_reflns_number_gt                9480
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0164P)²+13.5056P] 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         10751
_refine_ls_number_parameters     639
_refine_ls_number_restraints     270
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0340
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0746
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.113
_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
Sn1 Sn 0.23817(3) 0.89415(3) 0.19133(2) 0.03839(9) Uani 1 1 d . . . . .
Sn2 Sn 0.45206(3) 0.75835(2) 0.11253(2) 0.03080(9) Uani 1 1 d . . . . .
Sn3 Sn 0.25583(3) 0.69035(3) 0.15501(2) 0.03122(9) Uani 1 1 d . . . . .
Ag1 Ag 0.57876(4) 0.58390(3) 0.33196(3) 0.05113(12) Uani 1 1 d . . . . .
Ag2 Ag 0.68294(4) 0.58074(4) 0.46072(3) 0.06029(14) Uani 1 1 d . . . . .
Ag3A Ag 0.7073(13) 0.3789(13) 0.4238(6) 0.079(2) Uani 0.28(4) 1 d . . P A 1
Ag3B Ag 0.7183(2) 0.3901(3) 0.4240(2) 0.0501(8) Uani 0.72(4) 1 d . . P A 2
Ag4A Ag 0.5010(14) 0.3061(7) 0.4714(11) 0.079(3) Uani 0.175(15) 1 d . . P A 1
Ag4B Ag 0.51961(18) 0.3223(3) 0.4488(2) 0.0648(8) Uani 0.825(15) 1 d . . P A 2
Ag5 Ag 0.65107(4) 0.27181(4) 0.57625(3) 0.05293(12) Uani 1 1 d . . . . .
Ag6 Ag 0.64305(4) 0.49174(3) 0.62516(3) 0.06015(14) Uani 1 1 d . . . . .
Cl1 Cl 0.5000 0.5000 0.5000 0.0332(4) Uani 1 2 d S . P . .
P1 P 0.49000(10) 0.52172(9) 0.21093(7) 0.0286(3) Uani 1 1 d . . . . .
P2 P 0.46378(11) 0.82881(10) 0.26433(8) 0.0375(3) Uani 1 1 d . . . . .
P3 P 0.17155(10) 0.72332(10) 0.33024(8) 0.0344(3) Uani 1 1 d . . . . .
O1 O 0.5295(2) 0.6036(2) 0.16146(19) 0.0319(7) Uani 1 1 d . . . . .
O2 O 0.3767(3) 0.5502(2) 0.1948(2) 0.0341(8) Uani 1 1 d . . . . .
O3 O 0.5059(3) 0.4964(3) 0.29863(19) 0.0377(8) Uani 1 1 d . . . . .
O4 O 0.5147(3) 0.7888(3) 0.1935(2) 0.0398(8) Uani 1 1 d . . . . .
O5 O 0.3490(3) 0.8965(3) 0.2528(2) 0.0463(9) Uani 1 1 d . . . . .
O6 O 0.4811(3) 0.7427(3) 0.3405(2) 0.0544(11) Uani 1 1 d . . . . .
O7 O 0.1834(3) 0.6719(3) 0.2667(2) 0.0377(8) Uani 1 1 d . . . . .
O8 O 0.2526(3) 0.6575(3) 0.3924(2) 0.0458(9) Uani 1 1 d . . . . .
O9 O 0.1727(3) 0.8288(3) 0.2956(2) 0.0453(9) Uani 1 1 d . . . . .
O10 O 0.3376(2) 0.7479(2) 0.19623(18) 0.0293(7) Uani 1 1 d . . . . .
O11 O 0.3552(3) 0.7228(3) 0.05647(18) 0.0330(7) Uani 1 1 d . . . . .
O12 O 0.1610(3) 0.8481(3) 0.1281(2) 0.0442(9) Uani 1 1 d . . . . .
O101 O 0.3372(3) 0.9101(3) 0.0890(2) 0.0441(9) Uani 1 1 d . . . . .
C1 C 0.7503(5) 0.5188(5) 0.3657(4) 0.0590(17) Uani 1 1 d . U . . .
C2 C 0.7944(4) 0.5341(4) 0.3025(3) 0.0445(13) Uani 1 1 d . U . . .
C3 C 0.8522(4) 0.5561(5) 0.2272(3) 0.0470(13) Uani 1 1 d . U . . .
C4 C 0.7769(5) 0.6204(5) 0.1599(3) 0.0576(16) Uani 1 1 d . U . . .
H4A H 0.8151 0.6350 0.1100 0.086 Uiso 1 1 calc R U . . .
H4B H 0.7367 0.5837 0.1558 0.086 Uiso 1 1 calc R U . . .
H4C H 0.7303 0.6839 0.1704 0.086 Uiso 1 1 calc R U . . .
C5 C 0.9241(5) 0.4566(6) 0.2113(5) 0.075(2) Uani 1 1 d . U . . .
H5A H 0.9627 0.4705 0.1614 0.112 Uiso 1 1 calc R U . . .
H5B H 0.9724 0.4150 0.2548 0.112 Uiso 1 1 calc R U . . .
H5C H 0.8833 0.4204 0.2073 0.112 Uiso 1 1 calc R U . . .
C6 C 0.9151(6) 0.6121(6) 0.2359(5) 0.073(2) Uani 1 1 d . U . . .
H6A H 0.9540 0.6274 0.1865 0.110 Uiso 1 1 calc R U . . .
H6B H 0.8685 0.6751 0.2471 0.110 Uiso 1 1 calc R U . . .
H6C H 0.9630 0.5695 0.2795 0.110 Uiso 1 1 calc R U . . .
C7 C 0.6902(5) 0.2528(5) 0.4546(3) 0.0548(16) Uani 1 1 d . U . . .
C8 C 0.6930(5) 0.1764(4) 0.4471(3) 0.0483(14) Uani 1 1 d . U . . .
C9 C 0.7142(6) 0.0770(5) 0.4376(4) 0.0618(16) Uani 1 1 d . U . . .
C10 C 0.6134(7) 0.0620(7) 0.4419(6) 0.096(3) Uani 1 1 d . U . . .
H10A H 0.6290 -0.0040 0.4354 0.144 Uiso 1 1 calc R U . . .
H10B H 0.5789 0.0650 0.4934 0.144 Uiso 1 1 calc R U . . .
H10C H 0.5681 0.1154 0.3995 0.144 Uiso 1 1 calc R U . . .
C11 C 0.7684(8) 0.0728(6) 0.3576(5) 0.094(3) Uani 1 1 d . U . . .
H11A H 0.7830 0.0075 0.3504 0.141 Uiso 1 1 calc R U . . .
H11B H 0.7239 0.1272 0.3152 0.141 Uiso 1 1 calc R U . . .
H11C H 0.8332 0.0810 0.3558 0.141 Uiso 1 1 calc R U . . .
C12 C 0.7842(7) -0.0046(6) 0.5053(6) 0.095(3) Uani 1 1 d . U . . .
H12A H 0.7998 -0.0715 0.5007 0.143 Uiso 1 1 calc R U . . .
H12B H 0.8485 0.0049 0.5022 0.143 Uiso 1 1 calc R U . . .
H12C H 0.7491 0.0006 0.5563 0.143 Uiso 1 1 calc R U . . .
C13 C 0.6444(6) 0.6464(4) 0.5553(4) 0.0558(16) Uani 1 1 d . U . . .
C14 C 0.6930(4) 0.6592(4) 0.5958(3) 0.0382(11) Uani 1 1 d . U . . .
C15 C 0.7549(4) 0.6783(4) 0.6433(3) 0.0421(12) Uani 1 1 d . U . . .
C16 C 0.8522(5) 0.6819(6) 0.5936(4) 0.0643(18) Uani 1 1 d . U . . .
H16A H 0.8950 0.6944 0.6230 0.096 Uiso 1 1 calc R U . . .
H16B H 0.8912 0.6173 0.5824 0.096 Uiso 1 1 calc R U . . .
H16C H 0.8322 0.7363 0.5435 0.096 Uiso 1 1 calc R U . . .
C17 C 0.6913(6) 0.7791(5) 0.6595(4) 0.0617(17) Uani 1 1 d . U . . .
H17A H 0.7316 0.7923 0.6907 0.093 Uiso 1 1 calc R U . . .
H17B H 0.6734 0.8332 0.6091 0.093 Uiso 1 1 calc R U . . .
H17C H 0.6281 0.7768 0.6890 0.093 Uiso 1 1 calc R U . . .
C18 C 0.7848(5) 0.5921(5) 0.7208(3) 0.0495(14) Uani 1 1 d . U . . .
H18A H 0.8256 0.6046 0.7521 0.074 Uiso 1 1 calc R U . . .
H18B H 0.7224 0.5884 0.7509 0.074 Uiso 1 1 calc R U . . .
H18C H 0.8257 0.5282 0.7089 0.074 Uiso 1 1 calc R U . . .
C19 C 0.5665(4) 0.4088(4) 0.1806(3) 0.0332(11) Uani 1 1 d . U . . .
C20 C 0.5517(5) 0.4343(4) 0.0918(3) 0.0461(13) Uani 1 1 d . U . . .
H20A H 0.4787 0.4558 0.0820 0.069 Uiso 1 1 calc R U . . .
H20B H 0.5743 0.4890 0.0622 0.069 Uiso 1 1 calc R U . . .
H20C H 0.5926 0.3745 0.0743 0.069 Uiso 1 1 calc R U . . .
C21 C 0.6792(4) 0.3754(4) 0.1971(4) 0.0494(14) Uani 1 1 d . U . . .
H21A H 0.7028 0.4292 0.1667 0.074 Uiso 1 1 calc R U . . .
H21B H 0.6873 0.3611 0.2538 0.074 Uiso 1 1 calc R U . . .
H21C H 0.7203 0.3142 0.1813 0.074 Uiso 1 1 calc R U . . .
C22 C 0.5289(5) 0.3252(4) 0.2277(4) 0.0487(14) Uani 1 1 d . U . . .
H22A H 0.4561 0.3473 0.2168 0.073 Uiso 1 1 calc R U . . .
H22B H 0.5697 0.2640 0.2120 0.073 Uiso 1 1 calc R U . . .
H22C H 0.5367 0.3108 0.2845 0.073 Uiso 1 1 calc R U . . .
C23 C 0.5263(5) 0.9091(4) 0.2694(4) 0.0483(14) Uani 1 1 d . U . . .
C24 C 0.4776(7) 0.9497(7) 0.3399(6) 0.100(3) Uani 1 1 d . U . . .
H24A H 0.4882 0.8930 0.3886 0.150 Uiso 1 1 calc R U . . .
H24B H 0.5098 0.9929 0.3446 0.150 Uiso 1 1 calc R U . . .
H24C H 0.4035 0.9891 0.3317 0.150 Uiso 1 1 calc R U . . .
C25 C 0.6399(5) 0.8454(6) 0.2842(5) 0.073(2) Uani 1 1 d . U . . .
H25A H 0.6481 0.7905 0.3338 0.109 Uiso 1 1 calc R U . . .
H25B H 0.6713 0.8170 0.2403 0.109 Uiso 1 1 calc R U . . .
H25C H 0.6739 0.8876 0.2881 0.109 Uiso 1 1 calc R U . . .
C26 C 0.5116(7) 0.9934(6) 0.1941(5) 0.093(3) Uani 1 1 d . U . . .
H26A H 0.4378 1.0337 0.1854 0.139 Uiso 1 1 calc R U . . .
H26B H 0.5450 1.0363 0.1976 0.139 Uiso 1 1 calc R U . . .
H26C H 0.5424 0.9656 0.1498 0.139 Uiso 1 1 calc R U . . .
C27 C 0.0468(4) 0.7385(4) 0.3777(3) 0.0432(13) Uani 1 1 d . U . . .
C28 C -0.0370(5) 0.8043(5) 0.3172(5) 0.0674(18) Uani 1 1 d . U . . .
H28A H -0.0276 0.7720 0.2760 0.101 Uiso 1 1 calc R U . . .
H28B H -0.1045 0.8130 0.3434 0.101 Uiso 1 1 calc R U . . .
H28C H -0.0329 0.8704 0.2931 0.101 Uiso 1 1 calc R U . . .
C29 C 0.0332(6) 0.7879(5) 0.4425(4) 0.0655(18) Uani 1 1 d . U . . .
H29A H 0.0877 0.7448 0.4813 0.098 Uiso 1 1 calc R U . . .
H29B H 0.0374 0.8540 0.4187 0.098 Uiso 1 1 calc R U . . .
H29C H -0.0342 0.7966 0.4690 0.098 Uiso 1 1 calc R U . . .
C30 C 0.0423(5) 0.6339(5) 0.4149(4) 0.0599(17) Uani 1 1 d . U . . .
H30A H 0.0967 0.5917 0.4539 0.090 Uiso 1 1 calc R U . . .
H30B H -0.0250 0.6414 0.4411 0.090 Uiso 1 1 calc R U . . .
H30C H 0.0525 0.6019 0.3734 0.090 Uiso 1 1 calc R U . . .
C31 C 0.5523(4) 0.7812(4) 0.0135(3) 0.0417(12) Uani 1 1 d . U . . .
H31A H 0.5130 0.8421 -0.0287 0.050 Uiso 1 1 calc R U . . .
H31B H 0.6076 0.7938 0.0296 0.050 Uiso 1 1 calc R U . . .
C32 C 0.6015(5) 0.6916(4) -0.0200(3) 0.0451(13) Uani 1 1 d . U . . .
H32A H 0.6494 0.6337 0.0194 0.054 Uiso 1 1 calc R U . . .
H32B H 0.5467 0.6720 -0.0275 0.054 Uiso 1 1 calc R U . . .
C33 C 0.6600(5) 0.7114(5) -0.0981(3) 0.0568(16) Uani 1 1 d . U . . .
H33A H 0.6825 0.6523 -0.1179 0.068 Uiso 1 1 calc R U . . .
H33B H 0.6125 0.7703 -0.1372 0.068 Uiso 1 1 calc R U . . .
C34 C 0.7515(7) 0.7312(7) -0.0929(5) 0.088(3) Uani 1 1 d . U . . .
H34A H 0.7852 0.7433 -0.1453 0.131 Uiso 1 1 calc R U . . .
H34B H 0.7299 0.7908 -0.0747 0.131 Uiso 1 1 calc R U . . .
H34C H 0.8000 0.6726 -0.0554 0.131 Uiso 1 1 calc R U . . .
C35 C 0.1655(5) 0.6450(5) 0.1051(3) 0.0519(15) Uani 1 1 d D U . . .
H35A H 0.1508 0.5907 0.1472 0.062 Uiso 1 1 calc R U . . .
H35B H 0.0987 0.7030 0.0907 0.062 Uiso 1 1 calc R U . . .
C36 C 0.2049(8) 0.6099(10) 0.0374(6) 0.119(4) Uani 1 1 d D U . . .
H36A H 0.2741 0.5552 0.0499 0.142 Uiso 1 1 calc R U . . .
H36B H 0.2137 0.6659 -0.0067 0.142 Uiso 1 1 calc R U . . .
C37 C 0.1388(7) 0.5700(10) 0.0079(7) 0.125(4) Uani 1 1 d D U . . .
H37A H 0.1773 0.5409 -0.0351 0.150 Uiso 1 1 calc R U . . .
H37B H 0.1278 0.5151 0.0520 0.150 Uiso 1 1 calc R U . . .
C38 C 0.0424(9) 0.6452(11) -0.0203(7) 0.155(5) Uani 1 1 d D U . . .
H38A H 0.0043 0.6156 -0.0381 0.232 Uiso 1 1 calc R U . . .
H38B H 0.0031 0.6732 0.0223 0.232 Uiso 1 1 calc R U . . .
H38C H 0.0526 0.6991 -0.0648 0.232 Uiso 1 1 calc R U . . .
C39 C 0.1306(5) 1.0449(4) 0.1803(4) 0.0643(18) Uani 1 1 d . U . . .
H39A H 0.1607 1.0924 0.1452 0.077 Uiso 1 1 calc R U . . .
H39B H 0.0676 1.0569 0.1553 0.077 Uiso 1 1 calc R U . . .
C40 C 0.1005(6) 1.0666(5) 0.2624(5) 0.077(2) Uani 1 1 d . U . . .
H40A H 0.0767 1.0147 0.2988 0.093 Uiso 1 1 calc R U . . .
H40B H 0.1631 1.0593 0.2851 0.093 Uiso 1 1 calc R U . . .
C41 C 0.0205(7) 1.1663(6) 0.2598(5) 0.088(2) Uani 1 1 d . U . . .
H41A H -0.0409 1.1758 0.2341 0.105 Uiso 1 1 calc R U . . .
H41B H 0.0459 1.2186 0.2268 0.105 Uiso 1 1 calc R U . . .
C42 C -0.0109(8) 1.1813(7) 0.3407(5) 0.098(3) Uani 1 1 d . U . . .
H42A H -0.0645 1.2491 0.3351 0.147 Uiso 1 1 calc R U . . .
H42B H -0.0378 1.1308 0.3734 0.147 Uiso 1 1 calc R U . . .
H42C H 0.0490 1.1737 0.3660 0.147 Uiso 1 1 calc R U . . .
C101 C 0.3507(8) 0.9983(6) 0.0389(6) 0.101(3) 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
Sn1 O10 2.065(3) . ?
Sn1 O9 2.083(4) . ?
Sn1 O5 2.087(4) . ?
Sn1 C39 2.128(6) . ?
Sn1 O12 2.140(4) . ?
Sn1 O101 2.141(4) . ?
Sn1 Sn3 3.2904(5) . ?
Sn2 O10 2.056(3) . ?
Sn2 O1 2.077(3) . ?
Sn2 O4 2.082(3) . ?
Sn2 C31 2.125(5) . ?
Sn2 O101 2.151(3) . ?
Sn2 O11 2.158(3) . ?
Sn2 Sn3 3.2815(5) . ?
Sn3 O10 2.064(3) . ?
Sn3 O2 2.085(3) . ?
Sn3 O7 2.088(3) . ?
Sn3 C35 2.116(5) . ?
Sn3 O12 2.138(4) . ?
Sn3 O11 2.142(3) . ?
Ag1 O3 2.265(3) . ?
Ag1 O6 2.281(4) . ?
Ag1 C1 2.322(6) . ?
Ag1 Ag3B 2.881(3) . ?
Ag1 Ag2 2.9152(7) . ?
Ag1 Ag3A 2.930(10) . ?
Ag2 C1 2.123(7) . ?
Ag2 C13 2.133(6) . ?
Ag2 Ag4A 2.82(2) 2_666 ?
Ag2 Ag6 2.8787(7) . ?
Ag2 Ag3B 3.018(4) . ?
Ag2 Ag4B 3.116(3) 2_666 ?
Ag2 Ag3A 3.23(2) . ?
Ag3A C7 1.93(3) . ?
Ag3A C1 2.33(3) . ?
Ag3A Ag5 2.864(14) . ?
Ag3B C1 2.097(8) . ?
Ag3B C7 2.177(8) . ?
Ag3B Ag5 2.993(4) . ?
Ag3B Ag4B 3.332(6) . ?
Ag4A C13 1.974(16) 2_666 ?
Ag4A C7 2.47(2) . ?
Ag4A C8 2.70(2) . ?
Ag4A Ag2 2.82(2) 2_666 ?
Ag4A Ag5 2.843(11) . ?
Ag4A Ag6 3.001(10) 2_666 ?
Ag4B C13 2.196(8) 2_666 ?
Ag4B C7 2.218(7) . ?
Ag4B C8 2.550(6) . ?
Ag4B Ag6 2.857(3) 2_666 ?
Ag4B Ag5 2.8828(19) . ?
Ag4B Ag2 3.116(3) 2_666 ?
Ag5 C7 2.245(6) . ?
Ag5 O6 2.253(4) 2_666 ?
Ag5 O8 2.297(4) 2_666 ?
Ag6 O8 2.236(4) 2_666 ?
Ag6 C13 2.282(6) . ?
Ag6 O3 2.312(3) 2_666 ?
Ag6 Ag4B 2.857(3) 2_666 ?
Ag6 Ag4A 3.001(10) 2_666 ?
P1 O3 1.517(3) . ?
P1 O1 1.537(3) . ?
P1 O2 1.539(4) . ?
P1 C19 1.822(5) . ?
P2 O6 1.513(4) . ?
P2 O5 1.532(4) . ?
P2 O4 1.537(4) . ?
P2 C23 1.825(5) . ?
P3 O8 1.510(4) . ?
P3 O9 1.528(4) . ?
P3 O7 1.537(4) . ?
P3 C27 1.805(5) . ?
O3 Ag6 2.312(3) 2_666 ?
O6 Ag5 2.253(4) 2_666 ?
O8 Ag6 2.236(4) 2_666 ?
O8 Ag5 2.297(4) 2_666 ?
O101 C101 1.420(8) . ?
C1 C2 1.204(8) . ?
C2 C3 1.480(8) . ?
C3 C4 1.521(8) . ?
C3 C5 1.529(9) . ?
C3 C6 1.530(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.202(8) . ?
C8 C9 1.483(8) . ?
C9 C11 1.524(10) . ?
C9 C12 1.537(10) . ?
C9 C10 1.538(11) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.191(8) . ?
C13 Ag4A 1.974(16) 2_666 ?
C13 Ag4B 2.196(8) 2_666 ?
C14 C15 1.487(7) . ?
C15 C17 1.525(8) . ?
C15 C18 1.529(8) . ?
C15 C16 1.539(8) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.518(7) . ?
C19 C22 1.532(7) . ?
C19 C20 1.533(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.492(9) . ?
C23 C25 1.515(9) . ?
C23 C24 1.532(9) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.514(9) . ?
C27 C29 1.533(8) . ?
C27 C30 1.537(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.528(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.517(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.484(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.428(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.549(10) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.408(12) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.569(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.462(9) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.509(11) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 Sn1 O9 85.55(13) . . ?
O10 Sn1 O5 86.60(13) . . ?
O9 Sn1 O5 92.36(16) . . ?
O10 Sn1 C39 176.3(2) . . ?
O9 Sn1 C39 95.4(2) . . ?
O5 Sn1 C39 97.0(2) . . ?
O10 Sn1 O12 75.98(13) . . ?
O9 Sn1 O12 88.22(15) . . ?
O5 Sn1 O12 162.47(14) . . ?
C39 Sn1 O12 100.4(2) . . ?
O10 Sn1 O101 75.54(12) . . ?
O9 Sn1 O101 161.09(14) . . ?
O5 Sn1 O101 86.51(15) . . ?
C39 Sn1 O101 103.5(2) . . ?
O12 Sn1 O101 87.31(15) . . ?
O10 Sn1 Sn3 37.15(9) . . ?
O9 Sn1 Sn3 79.72(10) . . ?
O5 Sn1 Sn3 123.29(10) . . ?
C39 Sn1 Sn3 139.5(2) . . ?
O12 Sn1 Sn3 39.70(10) . . ?
O101 Sn1 Sn3 85.14(10) . . ?
O10 Sn2 O1 86.86(12) . . ?
O10 Sn2 O4 86.70(13) . . ?
O1 Sn2 O4 91.82(13) . . ?
O10 Sn2 C31 171.41(19) . . ?
O1 Sn2 C31 98.63(17) . . ?
O4 Sn2 C31 99.66(18) . . ?
O10 Sn2 O101 75.53(13) . . ?
O1 Sn2 O101 162.38(13) . . ?
O4 Sn2 O101 87.89(15) . . ?
C31 Sn2 O101 98.79(18) . . ?
O10 Sn2 O11 76.64(12) . . ?
O1 Sn2 O11 86.73(13) . . ?
O4 Sn2 O11 163.33(13) . . ?
C31 Sn2 O11 96.98(18) . . ?
O101 Sn2 O11 88.52(14) . . ?
O10 Sn2 Sn3 37.28(9) . . ?
O1 Sn2 Sn3 80.24(9) . . ?
O4 Sn2 Sn3 123.35(10) . . ?
C31 Sn2 Sn3 136.97(15) . . ?
O101 Sn2 Sn3 85.22(10) . . ?
O11 Sn2 Sn3 40.07(8) . . ?
O10 Sn3 O2 86.42(12) . . ?
O10 Sn3 O7 86.46(13) . . ?
O2 Sn3 O7 91.30(13) . . ?
O10 Sn3 C35 174.6(2) . . ?
O2 Sn3 C35 98.4(2) . . ?
O7 Sn3 C35 95.77(19) . . ?
O10 Sn3 O12 76.04(13) . . ?
O2 Sn3 O12 162.46(13) . . ?
O7 Sn3 O12 87.73(14) . . ?
C35 Sn3 O12 99.1(2) . . ?
O10 Sn3 O11 76.85(12) . . ?
O2 Sn3 O11 86.49(13) . . ?
O7 Sn3 O11 163.26(13) . . ?
C35 Sn3 O11 100.97(18) . . ?
O12 Sn3 O11 89.41(14) . . ?
O10 Sn3 Sn2 37.11(9) . . ?
O2 Sn3 Sn2 79.77(9) . . ?
O7 Sn3 Sn2 122.85(10) . . ?
C35 Sn3 Sn2 141.29(16) . . ?
O12 Sn3 Sn2 86.05(10) . . ?
O11 Sn3 Sn2 40.45(8) . . ?
O10 Sn3 Sn1 37.18(9) . . ?
O2 Sn3 Sn1 122.92(9) . . ?
O7 Sn3 Sn1 80.00(9) . . ?
C35 Sn3 Sn1 138.38(18) . . ?
O12 Sn3 Sn1 39.74(10) . . ?
O11 Sn3 Sn1 87.28(9) . . ?
Sn2 Sn3 Sn1 60.325(10) . . ?
O3 Ag1 O6 120.31(15) . . ?
O3 Ag1 C1 123.9(2) . . ?
O6 Ag1 C1 115.7(2) . . ?
O3 Ag1 Ag3B 85.92(12) . . ?
O6 Ag1 Ag3B 140.75(13) . . ?
C1 Ag1 Ag3B 46.01(19) . . ?
O3 Ag1 Ag2 142.27(9) . . ?
O6 Ag1 Ag2 80.54(12) . . ?
C1 Ag1 Ag2 46.12(17) . . ?
Ag3B Ag1 Ag2 62.76(8) . . ?
O3 Ag1 Ag3A 80.7(6) . . ?
O6 Ag1 Ag3A 143.3(3) . . ?
C1 Ag1 Ag3A 51.1(6) . . ?
Ag2 Ag1 Ag3A 67.2(5) . . ?
C1 Ag2 C13 168.2(3) . . ?
C1 Ag2 Ag4A 145.9(3) . 2_666 ?
C13 Ag2 Ag4A 44.3(3) . 2_666 ?
C1 Ag2 Ag6 132.74(18) . . ?
C13 Ag2 Ag6 51.58(16) . . ?
Ag4A Ag2 Ag6 63.6(3) 2_666 . ?
C1 Ag2 Ag1 52.05(17) . . ?
C13 Ag2 Ag1 137.95(18) . . ?
Ag4A Ag2 Ag1 94.0(2) 2_666 . ?
Ag6 Ag2 Ag1 122.94(2) . . ?
C1 Ag2 Ag3B 44.0(2) . . ?
C13 Ag2 Ag3B 142.39(17) . . ?
Ag6 Ag2 Ag3B 90.81(7) . . ?
Ag1 Ag2 Ag3B 58.06(5) . . ?
C1 Ag2 Ag4B 146.52(18) . 2_666 ?
C13 Ag2 Ag4B 44.76(19) . 2_666 ?
Ag6 Ag2 Ag4B 56.75(8) . 2_666 ?
Ag1 Ag2 Ag4B 94.86(4) . 2_666 ?
Ag3B Ag2 Ag4B 118.28(11) . 2_666 ?
C1 Ag2 Ag3A 46.1(3) . . ?
C13 Ag2 Ag3A 141.0(3) . . ?
Ag4A Ag2 Ag3A 120.9(4) 2_666 . ?
Ag6 Ag2 Ag3A 89.52(19) . . ?
Ag1 Ag2 Ag3A 56.6(2) . . ?
C7 Ag3A C1 168.1(6) . . ?
C7 Ag3A Ag5 51.5(4) . . ?
C1 Ag3A Ag5 139.2(9) . . ?
C7 Ag3A Ag1 132.1(11) . . ?
C1 Ag3A Ag1 50.8(3) . . ?
Ag5 Ag3A Ag1 124.6(4) . . ?
C7 Ag3A Ag2 150.7(5) . . ?
C1 Ag3A Ag2 41.0(4) . . ?
Ag5 Ag3A Ag2 99.6(4) . . ?
Ag1 Ag3A Ag2 56.2(3) . . ?
C1 Ag3B C7 165.5(3) . . ?
C1 Ag3B Ag1 52.81(19) . . ?
C7 Ag3B Ag1 123.2(2) . . ?
C1 Ag3B Ag5 146.0(2) . . ?
C7 Ag3B Ag5 48.38(17) . . ?
Ag1 Ag3B Ag5 121.74(12) . . ?
C1 Ag3B Ag2 44.7(2) . . ?
C7 Ag3B Ag2 148.7(2) . . ?
Ag1 Ag3B Ag2 59.18(7) . . ?
Ag5 Ag3B Ag2 101.79(10) . . ?
C1 Ag3B Ag4B 137.9(2) . . ?
C7 Ag3B Ag4B 41.16(19) . . ?
Ag1 Ag3B Ag4B 85.09(10) . . ?
Ag5 Ag3B Ag4B 53.91(10) . . ?
Ag2 Ag3B Ag4B 117.67(11) . . ?
C13 Ag4A C7 159.8(10) 2_666 . ?
C13 Ag4A C8 142.5(7) 2_666 . ?
C7 Ag4A C8 26.4(3) . . ?
C13 Ag4A Ag2 49.0(5) 2_666 2_666 ?
C7 Ag4A Ag2 147.5(5) . 2_666 ?
C8 Ag4A Ag2 164.7(6) . 2_666 ?
C13 Ag4A Ag5 150.3(10) 2_666 . ?
C7 Ag4A Ag5 49.4(3) . . ?
C8 Ag4A Ag5 65.1(3) . . ?
Ag2 Ag4A Ag5 101.8(6) 2_666 . ?
C13 Ag4A Ag6 49.5(3) 2_666 2_666 ?
C7 Ag4A Ag6 121.2(6) . 2_666 ?
C8 Ag4A Ag6 134.5(8) . 2_666 ?
Ag2 Ag4A Ag6 59.2(3) 2_666 2_666 ?
Ag5 Ag4A Ag6 126.1(3) . 2_666 ?
C13 Ag4B C7 165.9(3) 2_666 . ?
C13 Ag4B C8 137.9(3) 2_666 . ?
C7 Ag4B C8 28.1(2) . . ?
C13 Ag4B Ag6 51.70(16) 2_666 2_666 ?
C7 Ag4B Ag6 140.2(3) . 2_666 ?
C8 Ag4B Ag6 152.9(2) . 2_666 ?
C13 Ag4B Ag5 132.8(2) 2_666 . ?
C7 Ag4B Ag5 50.18(15) . . ?
C8 Ag4B Ag5 66.31(14) . . ?
Ag6 Ag4B Ag5 130.35(9) 2_666 . ?
C13 Ag4B Ag2 43.16(17) 2_666 2_666 ?
C7 Ag4B Ag2 144.16(17) . 2_666 ?
C8 Ag4B Ag2 149.5(2) . 2_666 ?
Ag6 Ag4B Ag2 57.43(4) 2_666 2_666 ?
Ag5 Ag4B Ag2 94.09(8) . 2_666 ?
C13 Ag4B Ag3B 153.5(2) 2_666 . ?
C7 Ag4B Ag3B 40.2(2) . . ?
C8 Ag4B Ag3B 67.18(18) . . ?
Ag6 Ag4B Ag3B 102.22(16) 2_666 . ?
Ag5 Ag4B Ag3B 57.03(8) . . ?
Ag2 Ag4B Ag3B 122.81(10) 2_666 . ?
C7 Ag5 O6 130.0(2) . 2_666 ?
C7 Ag5 O8 112.2(2) . 2_666 ?
O6 Ag5 O8 116.85(15) 2_666 2_666 ?
C7 Ag5 Ag4A 56.7(5) . . ?
O6 Ag5 Ag4A 77.5(5) 2_666 . ?
O8 Ag5 Ag4A 144.1(2) 2_666 . ?
C7 Ag5 Ag3A 42.3(5) . . ?
O6 Ag5 Ag3A 145.2(3) 2_666 . ?
O8 Ag5 Ag3A 77.3(6) 2_666 . ?
Ag4A Ag5 Ag3A 74.7(6) . . ?
C7 Ag5 Ag4B 49.35(18) . . ?
O6 Ag5 Ag4B 87.02(15) 2_666 . ?
O8 Ag5 Ag4B 136.30(15) 2_666 . ?
C7 Ag5 Ag3B 46.4(2) . . ?
O6 Ag5 Ag3B 146.97(12) 2_666 . ?
O8 Ag5 Ag3B 72.47(12) 2_666 . ?
Ag4B Ag5 Ag3B 69.06(13) . . ?
O8 Ag6 C13 127.4(2) 2_666 . ?
O8 Ag6 O3 118.87(14) 2_666 2_666 ?
C13 Ag6 O3 112.3(2) . 2_666 ?
O8 Ag6 Ag4B 141.75(10) 2_666 2_666 ?
C13 Ag6 Ag4B 49.0(2) . 2_666 ?
O3 Ag6 Ag4B 71.42(13) 2_666 2_666 ?
O8 Ag6 Ag2 86.87(10) 2_666 . ?
C13 Ag6 Ag2 47.10(16) . . ?
O3 Ag6 Ag2 133.63(9) 2_666 . ?
Ag4B Ag6 Ag2 65.82(9) 2_666 . ?
O8 Ag6 Ag4A 138.0(4) 2_666 2_666 ?
C13 Ag6 Ag4A 41.1(3) . 2_666 ?
O3 Ag6 Ag4A 80.8(4) 2_666 2_666 ?
Ag2 Ag6 Ag4A 57.3(4) . 2_666 ?
O3 P1 O1 111.09(19) . . ?
O3 P1 O2 111.0(2) . . ?
O1 P1 O2 112.56(19) . . ?
O3 P1 C19 108.1(2) . . ?
O1 P1 C19 106.9(2) . . ?
O2 P1 C19 106.9(2) . . ?
O6 P2 O5 111.2(2) . . ?
O6 P2 O4 110.8(2) . . ?
O5 P2 O4 112.9(2) . . ?
O6 P2 C23 109.4(3) . . ?
O5 P2 C23 106.2(2) . . ?
O4 P2 C23 106.1(2) . . ?
O8 P3 O9 110.8(2) . . ?
O8 P3 O7 110.8(2) . . ?
O9 P3 O7 113.0(2) . . ?
O8 P3 C27 108.1(3) . . ?
O9 P3 C27 106.9(2) . . ?
O7 P3 C27 107.0(2) . . ?
P1 O1 Sn2 131.2(2) . . ?
P1 O2 Sn3 131.35(19) . . ?
P1 O3 Ag1 116.28(19) . . ?
P1 O3 Ag6 113.27(19) . 2_666 ?
Ag1 O3 Ag6 107.87(13) . 2_666 ?
P2 O4 Sn2 130.2(2) . . ?
P2 O5 Sn1 130.8(2) . . ?
P2 O6 Ag5 121.3(2) . 2_666 ?
P2 O6 Ag1 117.0(2) . . ?
Ag5 O6 Ag1 105.25(15) 2_666 . ?
P3 O7 Sn3 130.5(2) . . ?
P3 O8 Ag6 114.5(2) . 2_666 ?
P3 O8 Ag5 118.2(2) . 2_666 ?
Ag6 O8 Ag5 109.38(16) 2_666 2_666 ?
P3 O9 Sn1 131.6(2) . . ?
Sn2 O10 Sn3 105.61(14) . . ?
Sn2 O10 Sn1 106.51(14) . . ?
Sn3 O10 Sn1 105.67(14) . . ?
Sn3 O11 Sn2 99.49(12) . . ?
Sn3 O12 Sn1 100.56(14) . . ?
C101 O101 Sn1 128.9(4) . . ?
C101 O101 Sn2 125.8(4) . . ?
Sn1 O101 Sn2 100.60(14) . . ?
C2 C1 Ag3B 125.9(6) . . ?
C2 C1 Ag2 142.8(6) . . ?
Ag3B C1 Ag2 91.3(3) . . ?
C2 C1 Ag1 103.4(4) . . ?
Ag3B C1 Ag1 81.2(2) . . ?
Ag2 C1 Ag1 81.8(2) . . ?
C2 C1 Ag3A 124.3(6) . . ?
Ag2 C1 Ag3A 92.9(4) . . ?
Ag1 C1 Ag3A 78.0(4) . . ?
C1 C2 C3 175.9(6) . . ?
C2 C3 C4 109.5(5) . . ?
C2 C3 C5 108.9(6) . . ?
C4 C3 C5 109.5(5) . . ?
C2 C3 C6 108.2(5) . . ?
C4 C3 C6 110.7(6) . . ?
C5 C3 C6 110.0(5) . . ?
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 Ag3A 156.9(6) . . ?
C8 C7 Ag3B 157.3(5) . . ?
C8 C7 Ag4B 91.5(5) . . ?
Ag3B C7 Ag4B 98.6(3) . . ?
C8 C7 Ag5 116.6(5) . . ?
Ag3A C7 Ag5 86.3(4) . . ?
Ag3B C7 Ag5 85.2(2) . . ?
Ag4B C7 Ag5 80.5(2) . . ?
C8 C7 Ag4A 87.2(5) . . ?
Ag3A C7 Ag4A 102.9(5) . . ?
Ag5 C7 Ag4A 73.9(4) . . ?
C7 C8 C9 171.1(7) . . ?
C7 C8 Ag4B 60.4(4) . . ?
C9 C8 Ag4B 128.5(5) . . ?
C7 C8 Ag4A 66.3(5) . . ?
C9 C8 Ag4A 122.6(5) . . ?
C8 C9 C11 108.5(6) . . ?
C8 C9 C12 107.4(6) . . ?
C11 C9 C12 110.5(7) . . ?
C8 C9 C10 110.7(6) . . ?
C11 C9 C10 110.0(7) . . ?
C12 C9 C10 109.7(7) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Ag4A 138.4(8) . 2_666 ?
C14 C13 Ag2 134.1(6) . . ?
Ag4A C13 Ag2 86.6(6) 2_666 . ?
C14 C13 Ag4B 133.8(6) . 2_666 ?
Ag2 C13 Ag4B 92.1(2) . 2_666 ?
C14 C13 Ag6 103.0(4) . . ?
Ag4A C13 Ag6 89.4(4) 2_666 . ?
Ag2 C13 Ag6 81.3(2) . . ?
Ag4B C13 Ag6 79.3(2) 2_666 . ?
C13 C14 C15 177.4(6) . . ?
C14 C15 C17 109.0(5) . . ?
C14 C15 C18 109.4(4) . . ?
C17 C15 C18 110.9(5) . . ?
C14 C15 C16 107.1(5) . . ?
C17 C15 C16 110.4(5) . . ?
C18 C15 C16 110.0(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C22 109.9(5) . . ?
C21 C19 C20 110.3(5) . . ?
C22 C19 C20 110.0(4) . . ?
C21 C19 P1 109.4(3) . . ?
C22 C19 P1 108.8(4) . . ?
C20 C19 P1 108.3(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C26 C23 C25 110.6(6) . . ?
C26 C23 C24 111.0(7) . . ?
C25 C23 C24 108.9(6) . . ?
C26 C23 P2 110.1(5) . . ?
C25 C23 P2 108.9(4) . . ?
C24 C23 P2 107.3(5) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 110.1(5) . . ?
C28 C27 C30 109.9(5) . . ?
C29 C27 C30 109.7(5) . . ?
C28 C27 P3 109.9(4) . . ?
C29 C27 P3 108.3(4) . . ?
C30 C27 P3 108.9(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Sn2 113.2(3) . . ?
C32 C31 H31A 108.9 . . ?
Sn2 C31 H31A 108.9 . . ?
C32 C31 H31B 108.9 . . ?
Sn2 C31 H31B 108.9 . . ?
H31A C31 H31B 107.8 . . ?
C33 C32 C31 114.5(5) . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C31 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 C32 114.1(6) . . ?
C34 C33 H33A 108.7 . . ?
C32 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
C32 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 Sn3 119.0(5) . . ?
C36 C35 H35A 107.6 . . ?
Sn3 C35 H35A 107.6 . . ?
C36 C35 H35B 107.6 . . ?
Sn3 C35 H35B 107.6 . . ?
H35A C35 H35B 107.0 . . ?
C35 C36 C37 116.4(7) . . ?
C35 C36 H36A 108.2 . . ?
C37 C36 H36A 108.2 . . ?
C35 C36 H36B 108.2 . . ?
C37 C36 H36B 108.2 . . ?
H36A C36 H36B 107.3 . . ?
C38 C37 C36 113.2(11) . . ?
C38 C37 H37A 108.9 . . ?
C36 C37 H37A 108.9 . . ?
C38 C37 H37B 108.9 . . ?
C36 C37 H37B 108.9 . . ?
H37A C37 H37B 107.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 Sn1 112.3(5) . . ?
C40 C39 H39A 109.1 . . ?
Sn1 C39 H39A 109.1 . . ?
C40 C39 H39B 109.1 . . ?
Sn1 C39 H39B 109.1 . . ?
H39A C39 H39B 107.9 . . ?
C41 C40 C39 115.1(7) . . ?
C41 C40 H40A 108.5 . . ?
C39 C40 H40A 108.5 . . ?
C41 C40 H40B 108.5 . . ?
C39 C40 H40B 108.5 . . ?
H40A C40 H40B 107.5 . . ?
C40 C41 C42 113.2(8) . . ?
C40 C41 H41A 108.9 . . ?
C42 C41 H41A 108.9 . . ?
C40 C41 H41B 108.9 . . ?
C42 C41 H41B 108.9 . . ?
H41A C41 H41B 107.7 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

_refine_diff_density_max         1.476
_refine_diff_density_min         -1.475
_refine_diff_density_rms         0.101


# start Validation Reply Form
_vrf_PLAT910_Complex2            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         18 Note  
RESPONSE:Theta min = 2.902 deg. The theta value of the missing reflections 
are less than 2.902 deg. and therefore reflections 
were excluded                                       
;
# 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_Complex3
_database_code_depnum_ccdc_archive 'CCDC 1836995'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        Compelx3
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69 H165 Ag8 Bi9 O50 P10'
_chemical_formula_weight         4848.48

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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                   13.247(2)
_cell_length_b                   19.839(3)
_cell_length_c                   27.503(4)
_cell_angle_alpha                99.106(4)
_cell_angle_beta                 102.670(4)
_cell_angle_gamma                103.873(4)
_cell_volume                     6674.8(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9887
_cell_measurement_theta_min      2.9985
_cell_measurement_theta_max      25.3623

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.412
_exptl_crystal_F_000             4504
_exptl_transmission_factor_min   0.0021
_exptl_transmission_factor_max   0.0142
_exptl_crystal_size_max          0.123
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.051
_exptl_absorpt_coefficient_mu    13.151
_shelx_estimated_absorpt_T_min   0.295
_shelx_estimated_absorpt_T_max   0.554
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.295
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_process_details   'SADABS-2014/2 (Bruker,2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21360
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.998
_diffrn_reflns_theta_max         19.782
_diffrn_reflns_theta_full        19.782
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measured_fraction_theta_full 0.943
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_Laue_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_point_group_measured_fraction_full 0.943
_reflns_number_total             11381
_reflns_number_gt                9594
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+290.3784P] 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         11381
_refine_ls_number_parameters     1193
_refine_ls_number_restraints     1207
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0616
_refine_ls_wR_factor_ref         0.1579
_refine_ls_wR_factor_gt          0.1437
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_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
Bi1 Bi 0.44135(9) 0.29114(6) 0.73611(4) 0.0661(3) Uani 1 1 d . U . . .
Bi2 Bi 0.47323(9) 0.41006(6) 0.88652(4) 0.0690(3) Uani 1 1 d . U . . .
Bi3 Bi 0.61999(8) 0.46704(6) 0.79296(4) 0.0601(3) Uani 1 1 d . U . . .
Bi4 Bi 0.32476(8) 0.43821(6) 0.76520(4) 0.0623(3) Uani 1 1 d . U . . .
Bi5 Bi 0.29736(8) 0.35299(6) 0.63003(4) 0.0583(3) Uani 1 1 d . U . . .
Bi6 Bi 0.58751(8) 0.38564(5) 0.65526(4) 0.0558(3) Uani 1 1 d . U . . .
Bi7 Bi 0.40485(8) 0.21889(6) 0.56755(4) 0.0591(3) Uani 1 1 d . U . . .
Bi8 Bi 0.45669(8) 0.50053(6) 0.58400(4) 0.0657(3) Uani 1 1 d . U . . .
Bi9 Bi 0.50198(9) 0.62038(6) 0.78205(5) 0.0722(3) Uani 1 1 d . U . . .
Ag1 Ag 0.2888(2) 0.05128(16) 0.83092(11) 0.1079(9) Uani 1 1 d . U . . .
Ag2 Ag 0.5131(2) 0.06764(16) 0.84876(12) 0.1090(9) Uani 1 1 d . U . . .
Ag3 Ag 0.5148(3) 0.0069(3) 0.73751(13) 0.1050(14) Uani 0.899(9) 1 d . U P A 1
Ag3A Ag 0.535(3) -0.036(2) 0.7273(14) 0.107(6) Uani 0.101(9) 1 d . U P A 2
Ag4 Ag 0.2922(3) -0.01198(15) 0.72166(11) 0.1061(9) Uani 1 1 d . U . . .
Ag5 Ag 0.4515(2) 0.19904(14) 0.85858(10) 0.0901(7) Uani 1 1 d . U . . .
Ag6 Ag 0.5942(2) 0.15431(14) 0.77547(10) 0.0897(7) Uani 1 1 d . U . . .
Ag7 Ag 0.3910(2) 0.08751(13) 0.66458(10) 0.0875(7) Uani 1 1 d . U . . .
Ag8 Ag 0.2424(2) 0.12182(13) 0.74902(9) 0.0836(7) Uani 1 1 d . U . . .
P1 P 0.6583(6) 0.5855(4) 0.9029(3) 0.0731(19) Uani 1 1 d . U . . .
P2 P 0.3484(7) 0.5693(5) 0.8614(3) 0.082(2) Uani 1 1 d . U . . .
P3 P 0.6603(6) 0.5788(4) 0.7013(3) 0.0615(17) Uani 1 1 d . U . . .
P4 P 0.3005(6) 0.5412(4) 0.6667(3) 0.0699(18) Uani 1 1 d . U . . .
P5 P 0.2673(6) 0.3291(4) 0.5038(3) 0.0672(18) Uani 1 1 d . U . . .
P6 P 0.5841(6) 0.3825(4) 0.5326(3) 0.0647(18) Uani 1 1 d . U . . .
P7 P 0.2105(6) 0.1660(4) 0.6252(3) 0.0624(17) Uani 1 1 d . U . . .
P8 P 0.5986(6) 0.2026(4) 0.6611(3) 0.0611(17) Uani 1 1 d . U . . .
P9 P 0.6545(6) 0.3295(4) 0.8586(3) 0.0686(18) Uani 1 1 d . U . . .
P10 P 0.2680(6) 0.2818(4) 0.8245(3) 0.0685(17) Uani 1 1 d . U . . .
O1 O 0.4519(13) 0.4278(9) 0.6328(6) 0.059(3) Uani 1 1 d . U . . .
O2 O 0.4792(13) 0.5104(9) 0.7691(6) 0.063(3) Uani 1 1 d . U . . .
O3 O 0.4245(13) 0.2934(8) 0.6373(6) 0.058(3) Uani 1 1 d . U . . .
O4 O 0.4729(13) 0.3960(9) 0.8069(6) 0.066(3) Uani 1 1 d . U . . .
O5 O 0.5654(13) 0.3759(9) 0.7296(6) 0.059(3) Uani 1 1 d . U . . .
O6 O 0.3410(12) 0.3548(9) 0.7105(6) 0.059(3) Uani 1 1 d . U . . .
O7 O 0.5146(13) 0.3776(12) 0.4794(7) 0.090(6) Uani 1 1 d . U . . .
O8 O 0.5384(14) 0.3231(10) 0.5557(7) 0.075(3) Uani 1 1 d . U . . .
O9 O 0.5964(14) 0.4522(10) 0.5670(7) 0.070(4) Uani 1 1 d . U . . .
O10 O 0.3210(15) 0.3156(12) 0.4618(7) 0.091(6) Uani 1 1 d . U . . .
O11 O 0.2843(13) 0.2798(9) 0.5418(6) 0.066(3) Uani 1 1 d . U . . .
O12 O 0.3028(14) 0.4058(10) 0.5320(7) 0.078(4) Uani 1 1 d . U . . .
O13 O 0.3302(13) 0.5346(10) 0.6161(7) 0.075(4) Uani 1 1 d . U . . .
O14 O 0.2780(13) 0.4701(9) 0.6830(6) 0.064(3) Uani 1 1 d . U . . .
O15 O 0.3804(15) 0.6026(10) 0.7089(7) 0.079(4) Uani 1 1 d . U . . .
O16 O 0.3382(16) 0.5812(11) 0.8077(8) 0.090(4) Uani 1 1 d . U . . .
O17 O 0.3767(14) 0.5008(10) 0.8646(7) 0.074(3) Uani 1 1 d . U . . .
O18 O 0.4301(18) 0.6334(12) 0.8993(10) 0.118(7) Uani 1 1 d . U . . .
O19 O 0.2634(13) 0.1497(9) 0.5823(6) 0.066(3) Uani 1 1 d . U . . .
O20 O 0.1872(13) 0.2360(9) 0.6306(6) 0.067(3) Uani 1 1 d . U . . .
O21 O 0.2810(14) 0.1600(10) 0.6746(7) 0.074(3) Uani 1 1 d . U . . .
O22 O 0.2766(15) 0.2361(10) 0.7783(7) 0.078(4) Uani 1 1 d . U . . .
O23 O 0.2642(14) 0.3547(10) 0.8173(7) 0.076(3) Uani 1 1 d . U . . .
O24 O 0.3686(14) 0.2911(11) 0.8690(7) 0.081(3) Uani 1 1 d . U . . .
O25 O 0.4992(14) 0.1598(10) 0.6180(7) 0.076(3) Uani 1 1 d . U . . .
O26 O 0.5693(13) 0.2052(10) 0.7113(7) 0.072(4) Uani 1 1 d . U . . .
O27 O 0.6354(14) 0.2741(9) 0.6505(7) 0.074(4) Uani 1 1 d . U . . .
O28 O 0.7007(13) 0.3863(10) 0.8306(6) 0.068(3) Uani 1 1 d . U . . .
O29 O 0.5737(15) 0.2615(11) 0.8228(7) 0.080(3) Uani 1 1 d . U . . .
O30 O 0.6029(14) 0.3557(10) 0.8989(7) 0.071(3) Uani 1 1 d . U . . .
O31 O 0.6002(17) 0.6129(12) 0.9397(8) 0.096(6) Uani 1 1 d . U . . .
O32 O 0.6503(16) 0.6185(10) 0.8567(7) 0.084(5) Uani 1 1 d . U . . .
O33 O 0.6215(13) 0.5043(10) 0.8858(6) 0.068(3) Uani 1 1 d . U . . .
O34 O 0.6326(14) 0.6232(9) 0.7438(7) 0.072(4) Uani 1 1 d . U . . .
O35 O 0.6543(13) 0.5046(9) 0.7111(6) 0.063(3) Uani 1 1 d . U . . .
O36 O 0.5900(13) 0.5759(10) 0.6487(7) 0.070(4) Uani 1 1 d . U . . .
C1 C 0.802(2) 0.6063(16) 0.9369(11) 0.080(6) Uani 1 1 d . U . . .
C2 C 0.811(3) 0.5736(18) 0.9811(12) 0.098(9) Uani 1 1 d . U . . .
H2A H 0.7707 0.5913 1.0034 0.147 Uiso 1 1 calc R U . . .
H2B H 0.7824 0.5218 0.9694 0.147 Uiso 1 1 calc R U . . .
H2C H 0.8876 0.5858 0.9999 0.147 Uiso 1 1 calc R U . . .
C3 C 0.847(2) 0.6871(15) 0.9578(13) 0.097(9) Uani 1 1 d . U . . .
H3A H 0.8420 0.7113 0.9292 0.146 Uiso 1 1 calc R U . . .
H3B H 0.8053 0.7032 0.9802 0.146 Uiso 1 1 calc R U . . .
H3C H 0.9228 0.6986 0.9772 0.146 Uiso 1 1 calc R U . . .
C4 C 0.862(2) 0.5814(17) 0.9015(12) 0.090(8) Uani 1 1 d . U . . .
H4A H 0.8533 0.6045 0.8725 0.135 Uiso 1 1 calc R U . . .
H4B H 0.9385 0.5937 0.9196 0.135 Uiso 1 1 calc R U . . .
H4C H 0.8333 0.5297 0.8890 0.135 Uiso 1 1 calc R U . . .
C5 C 0.771(2) 0.3063(17) 0.8966(11) 0.078(6) Uani 1 1 d . U . . .
C6 C 0.738(3) 0.2547(19) 0.9268(11) 0.096(9) Uani 1 1 d . U . . .
H6A H 0.7011 0.2746 0.9504 0.143 Uiso 1 1 calc R U . . .
H6B H 0.6881 0.2107 0.9038 0.143 Uiso 1 1 calc R U . . .
H6C H 0.8013 0.2444 0.9462 0.143 Uiso 1 1 calc R U . . .
C7 C 0.828(2) 0.2767(18) 0.8600(12) 0.089(8) Uani 1 1 d . U . . .
H7A H 0.8495 0.3117 0.8400 0.134 Uiso 1 1 calc R U . . .
H7B H 0.8915 0.2665 0.8792 0.134 Uiso 1 1 calc R U . . .
H7C H 0.7783 0.2328 0.8368 0.134 Uiso 1 1 calc R U . . .
C8 C 0.847(3) 0.3765(18) 0.9320(12) 0.102(9) Uani 1 1 d . U . . .
H8A H 0.8688 0.4105 0.9114 0.153 Uiso 1 1 calc R U . . .
H8B H 0.8094 0.3963 0.9551 0.153 Uiso 1 1 calc R U . . .
H8C H 0.9112 0.3673 0.9521 0.153 Uiso 1 1 calc R U . . .
C9 C 0.798(2) 0.6250(15) 0.7017(10) 0.069(5) Uani 1 1 d . U . . .
C10 C 0.805(2) 0.6940(15) 0.6880(12) 0.087(8) Uani 1 1 d . U . . .
H10A H 0.7849 0.7248 0.7133 0.130 Uiso 1 1 calc R U . . .
H10B H 0.8796 0.7162 0.6876 0.130 Uiso 1 1 calc R U . . .
H10C H 0.7565 0.6871 0.6541 0.130 Uiso 1 1 calc R U . . .
C11 C 0.875(2) 0.6335(16) 0.7553(11) 0.082(8) Uani 1 1 d . U . . .
H11A H 0.8687 0.5866 0.7635 0.123 Uiso 1 1 calc R U . . .
H11B H 0.9496 0.6553 0.7553 0.123 Uiso 1 1 calc R U . . .
H11C H 0.8549 0.6639 0.7810 0.123 Uiso 1 1 calc R U . . .
C12 C 0.830(2) 0.5738(14) 0.6632(11) 0.070(6) Uani 1 1 d . U . . .
H12A H 0.8242 0.5284 0.6737 0.104 Uiso 1 1 calc R U . . .
H12B H 0.7812 0.5657 0.6291 0.104 Uiso 1 1 calc R U . . .
H12C H 0.9044 0.5948 0.6625 0.104 Uiso 1 1 calc R U . . .
C13 C 0.713(2) 0.3752(14) 0.5265(10) 0.062(5) Uani 1 1 d . U . . .
C14 C 0.789(2) 0.3804(16) 0.5779(10) 0.077(7) Uani 1 1 d . U . . .
H14A H 0.7997 0.4264 0.6005 0.116 Uiso 1 1 calc R U . . .
H14B H 0.7580 0.3418 0.5932 0.116 Uiso 1 1 calc R U . . .
H14C H 0.8588 0.3763 0.5731 0.116 Uiso 1 1 calc R U . . .
C15 C 0.769(2) 0.4372(15) 0.5052(11) 0.076(7) Uani 1 1 d . U . . .
H15A H 0.7784 0.4826 0.5283 0.114 Uiso 1 1 calc R U . . .
H15B H 0.8399 0.4326 0.5026 0.114 Uiso 1 1 calc R U . . .
H15C H 0.7246 0.4356 0.4713 0.114 Uiso 1 1 calc R U . . .
C16 C 0.698(3) 0.3062(16) 0.4929(13) 0.097(9) Uani 1 1 d . U . . .
H16A H 0.6488 0.3025 0.4596 0.146 Uiso 1 1 calc R U . . .
H16B H 0.7676 0.3022 0.4883 0.146 Uiso 1 1 calc R U . . .
H16C H 0.6668 0.2677 0.5084 0.146 Uiso 1 1 calc R U . . .
C17 C 0.705(2) 0.1627(14) 0.6583(10) 0.063(5) Uani 1 1 d . U . . .
C18 C 0.669(2) 0.0794(14) 0.6566(12) 0.077(7) Uani 1 1 d . U . . .
H18A H 0.6057 0.0559 0.6273 0.115 Uiso 1 1 calc R U . . .
H18B H 0.7279 0.0591 0.6531 0.115 Uiso 1 1 calc R U . . .
H18C H 0.6495 0.0720 0.6882 0.115 Uiso 1 1 calc R U . . .
C19 C 0.801(2) 0.1944(16) 0.7036(11) 0.082(8) Uani 1 1 d . U . . .
H19A H 0.7782 0.1905 0.7349 0.123 Uiso 1 1 calc R U . . .
H19B H 0.8550 0.1689 0.7015 0.123 Uiso 1 1 calc R U . . .
H19C H 0.8317 0.2448 0.7042 0.123 Uiso 1 1 calc R U . . .
C20 C 0.736(3) 0.1675(17) 0.6080(11) 0.090(8) Uani 1 1 d . U . . .
H20A H 0.6717 0.1462 0.5792 0.135 Uiso 1 1 calc R U . . .
H20B H 0.7665 0.2175 0.6078 0.135 Uiso 1 1 calc R U . . .
H20C H 0.7898 0.1417 0.6050 0.135 Uiso 1 1 calc R U . . .
C21 C 0.221(3) 0.5647(19) 0.8752(13) 0.095(7) Uani 1 1 d . U . . .
C22 C 0.223(3) 0.5481(19) 0.9271(13) 0.109(9) Uani 1 1 d . U . . .
H22A H 0.2449 0.5045 0.9288 0.163 Uiso 1 1 calc R U . . .
H22B H 0.2744 0.5877 0.9537 0.163 Uiso 1 1 calc R U . . .
H22C H 0.1507 0.5412 0.9324 0.163 Uiso 1 1 calc R U . . .
C23 C 0.188(3) 0.630(2) 0.8724(15) 0.118(10) Uani 1 1 d . U . . .
H23A H 0.1868 0.6405 0.8387 0.178 Uiso 1 1 calc R U . . .
H23B H 0.1158 0.6231 0.8777 0.178 Uiso 1 1 calc R U . . .
H23C H 0.2394 0.6697 0.8989 0.178 Uiso 1 1 calc R U . . .
C24 C 0.134(3) 0.5021(19) 0.8370(13) 0.110(10) Uani 1 1 d . U . . .
H24A H 0.1553 0.4582 0.8385 0.165 Uiso 1 1 calc R U . . .
H24B H 0.0653 0.4973 0.8457 0.165 Uiso 1 1 calc R U . . .
H24C H 0.1265 0.5106 0.8025 0.165 Uiso 1 1 calc R U . . .
C25 C 0.150(2) 0.2449(15) 0.8447(10) 0.066(5) Uani 1 1 d . U . . .
C26 C 0.146(3) 0.2979(17) 0.8888(11) 0.091(9) Uani 1 1 d . U . . .
H26A H 0.1452 0.3429 0.8785 0.136 Uiso 1 1 calc R U . . .
H26B H 0.0810 0.2798 0.8996 0.136 Uiso 1 1 calc R U . . .
H26C H 0.2101 0.3058 0.9172 0.136 Uiso 1 1 calc R U . . .
C27 C 0.151(3) 0.1756(17) 0.8598(13) 0.097(9) Uani 1 1 d . U . . .
H27A H 0.1531 0.1411 0.8306 0.146 Uiso 1 1 calc R U . . .
H27B H 0.2149 0.1832 0.8882 0.146 Uiso 1 1 calc R U . . .
H27C H 0.0858 0.1572 0.8705 0.146 Uiso 1 1 calc R U . . .
C28 C 0.049(2) 0.229(2) 0.8009(11) 0.101(10) Uani 1 1 d . U . . .
H28A H 0.0530 0.1940 0.7723 0.151 Uiso 1 1 calc R U . . .
H28B H -0.0147 0.2095 0.8123 0.151 Uiso 1 1 calc R U . . .
H28C H 0.0444 0.2728 0.7898 0.151 Uiso 1 1 calc R U . . .
C29 C 0.081(2) 0.0981(15) 0.6078(10) 0.069(5) Uani 1 1 d . U . . .
C30 C 0.015(2) 0.1063(17) 0.5564(11) 0.090(9) Uani 1 1 d . U . . .
H30A H 0.0065 0.1545 0.5603 0.135 Uiso 1 1 calc R U . . .
H30B H 0.0525 0.0984 0.5300 0.135 Uiso 1 1 calc R U . . .
H30C H -0.0564 0.0714 0.5463 0.135 Uiso 1 1 calc R U . . .
C31 C 0.094(2) 0.0236(15) 0.6009(12) 0.081(7) Uani 1 1 d . U . . .
H31A H 0.1310 0.0159 0.5744 0.122 Uiso 1 1 calc R U . . .
H31B H 0.1354 0.0176 0.6332 0.122 Uiso 1 1 calc R U . . .
H31C H 0.0219 -0.0111 0.5906 0.122 Uiso 1 1 calc R U . . .
C32 C 0.022(2) 0.1092(18) 0.6495(11) 0.089(8) Uani 1 1 d . U . . .
H32A H 0.0142 0.1574 0.6543 0.133 Uiso 1 1 calc R U . . .
H32B H -0.0490 0.0743 0.6391 0.133 Uiso 1 1 calc R U . . .
H32C H 0.0644 0.1030 0.6817 0.133 Uiso 1 1 calc R U . . .
C33 C 0.176(2) 0.5648(17) 0.6552(12) 0.082(6) Uani 1 1 d . U . . .
C34 C 0.095(2) 0.5116(17) 0.6098(11) 0.084(8) Uani 1 1 d . U . . .
H34A H 0.0837 0.4638 0.6168 0.127 Uiso 1 1 calc R U . . .
H34B H 0.0268 0.5237 0.6035 0.127 Uiso 1 1 calc R U . . .
H34C H 0.1232 0.5126 0.5797 0.127 Uiso 1 1 calc R U . . .
C35 C 0.193(3) 0.6351(17) 0.6448(14) 0.112(10) Uani 1 1 d . U . . .
H35A H 0.2452 0.6699 0.6743 0.168 Uiso 1 1 calc R U . . .
H35B H 0.2206 0.6361 0.6146 0.168 Uiso 1 1 calc R U . . .
H35C H 0.1243 0.6472 0.6384 0.168 Uiso 1 1 calc R U . . .
C36 C 0.132(2) 0.563(2) 0.7026(13) 0.110(10) Uani 1 1 d . U . . .
H36A H 0.1205 0.5150 0.7095 0.165 Uiso 1 1 calc R U . . .
H36B H 0.1841 0.5975 0.7322 0.165 Uiso 1 1 calc R U . . .
H36C H 0.0633 0.5748 0.6963 0.165 Uiso 1 1 calc R U . . .
C37 C 0.387(3) -0.0253(18) 0.6676(14) 0.100(4) Uani 1 1 d . U . . .
C38 C 0.372(3) -0.0458(17) 0.6209(14) 0.092(6) Uani 1 1 d . U . . .
C39 C 0.353(3) -0.0759(19) 0.5659(14) 0.102(7) Uani 1 1 d . U . . .
C40 C 0.356(3) -0.015(2) 0.5379(12) 0.115(10) Uani 1 1 d . U . . .
H40A H 0.4266 0.0198 0.5507 0.173 Uiso 1 1 calc R U . . .
H40B H 0.3418 -0.0345 0.5012 0.173 Uiso 1 1 calc R U . . .
H40C H 0.2998 0.0071 0.5437 0.173 Uiso 1 1 calc R U . . .
C41 C 0.248(3) -0.1297(19) 0.5478(14) 0.110(10) Uani 1 1 d . U . . .
H41A H 0.2346 -0.1501 0.5113 0.165 Uiso 1 1 calc R U . . .
H41B H 0.2486 -0.1674 0.5669 0.165 Uiso 1 1 calc R U . . .
H41C H 0.1917 -0.1076 0.5531 0.165 Uiso 1 1 calc R U . . .
C42 C 0.441(3) -0.1137(18) 0.5609(14) 0.113(11) Uani 1 1 d . U . . .
H42A H 0.5118 -0.0786 0.5728 0.169 Uiso 1 1 calc R U . . .
H42B H 0.4374 -0.1495 0.5818 0.169 Uiso 1 1 calc R U . . .
H42C H 0.4280 -0.1369 0.5251 0.169 Uiso 1 1 calc R U . . .
C43 C 0.422(3) 0.1082(19) 0.8973(14) 0.104(4) Uani 1 1 d . U . . .
C44 C 0.443(4) 0.132(3) 0.9370(16) 0.149(10) Uani 1 1 d . U . . .
C45 C 0.456(5) 0.155(3) 0.992(2) 0.219(12) Uani 1 1 d D U . . .
C46 C 0.570(4) 0.186(3) 1.0224(18) 0.233(16) Uani 1 1 d D U . . .
H46A H 0.6080 0.2202 1.0058 0.349 Uiso 1 1 calc R U . . .
H46B H 0.5720 0.2103 1.0567 0.349 Uiso 1 1 calc R U . . .
H46C H 0.6048 0.1479 1.0251 0.349 Uiso 1 1 calc R U . . .
C47 C 0.401(4) 0.105(3) 1.0156(17) 0.219(12) Uani 1 1 d D U . . .
H47A H 0.4157 0.1266 1.0521 0.328 Uiso 1 1 calc R U . . .
H47B H 0.3228 0.0928 0.9997 0.328 Uiso 1 1 calc R U . . .
H47C H 0.4249 0.0624 1.0116 0.328 Uiso 1 1 calc R U . . .
C48 C 0.409(4) 0.219(3) 0.9975(17) 0.219(12) Uani 1 1 d D U . . .
H48A H 0.4441 0.2553 0.9815 0.328 Uiso 1 1 calc R U . . .
H48B H 0.3309 0.2028 0.9807 0.328 Uiso 1 1 calc R U . . .
H48C H 0.4205 0.2393 1.0338 0.328 Uiso 1 1 calc R U . . .
C49 C 0.122(2) 0.3014(15) 0.4749(11) 0.071(5) Uani 1 1 d . U . . .
C50 C 0.088(2) 0.2244(16) 0.4487(13) 0.098(9) Uani 1 1 d . U . . .
H50A H 0.1077 0.1963 0.4736 0.148 Uiso 1 1 calc R U . . .
H50B H 0.0101 0.2086 0.4335 0.148 Uiso 1 1 calc R U . . .
H50C H 0.1252 0.2179 0.4218 0.148 Uiso 1 1 calc R U . . .
C51 C 0.094(2) 0.3457(17) 0.4380(12) 0.107(11) Uani 1 1 d . U . . .
H51A H 0.1162 0.3958 0.4559 0.161 Uiso 1 1 calc R U . . .
H51B H 0.1304 0.3399 0.4110 0.161 Uiso 1 1 calc R U . . .
H51C H 0.0153 0.3305 0.4227 0.161 Uiso 1 1 calc R U . . .
C52 C 0.063(2) 0.3066(18) 0.5188(11) 0.091(9) Uani 1 1 d . U . . .
H52A H 0.0844 0.2767 0.5420 0.137 Uiso 1 1 calc R U . . .
H52B H 0.0840 0.3561 0.5378 0.137 Uiso 1 1 calc R U . . .
H52C H -0.0151 0.2901 0.5038 0.137 Uiso 1 1 calc R U . . .
C53 C 0.635(3) 0.072(2) 0.8071(13) 0.107(4) Uani 1 1 d . U . . .
C54 C 0.694(3) 0.058(2) 0.8416(15) 0.122(7) Uani 1 1 d . U . . .
C55 C 0.768(4) 0.035(3) 0.880(2) 0.159(11) Uani 1 1 d . U . . .
C56 C 0.882(4) 0.086(3) 0.8910(18) 0.21(2) Uani 1 1 d D U . . .
H56A H 0.9323 0.0716 0.9163 0.316 Uiso 1 1 calc R U . . .
H56B H 0.9054 0.0844 0.8594 0.316 Uiso 1 1 calc R U . . .
H56C H 0.8818 0.1347 0.9045 0.316 Uiso 1 1 calc R U . . .
C57 C 0.765(4) -0.041(2) 0.869(2) 0.21(2) Uani 1 1 d D U . . .
H57A H 0.8175 -0.0501 0.8965 0.320 Uiso 1 1 calc R U . . .
H57B H 0.6928 -0.0713 0.8659 0.320 Uiso 1 1 calc R U . . .
H57C H 0.7841 -0.0533 0.8364 0.320 Uiso 1 1 calc R U . . .
C58 C 0.737(4) 0.050(3) 0.9364(16) 0.203(18) Uani 1 1 d D U . . .
H58A H 0.7864 0.0347 0.9619 0.304 Uiso 1 1 calc R U . . .
H58B H 0.7456 0.1007 0.9478 0.304 Uiso 1 1 calc R U . . .
H58C H 0.6628 0.0225 0.9325 0.304 Uiso 1 1 calc R U . . .
C59 C 0.172(3) 0.0138(17) 0.7555(12) 0.096(4) Uani 1 1 d . U . . .
C60 C 0.077(3) -0.018(2) 0.7476(13) 0.113(8) Uani 1 1 d . U . . .
C61 C -0.047(3) -0.0566(18) 0.7334(13) 0.129(9) Uani 1 1 d D U . . .
C62 C -0.061(4) -0.109(2) 0.6831(14) 0.19(2) Uani 1 1 d D U . . .
H62A H -0.0555 -0.0828 0.6560 0.289 Uiso 1 1 calc R U . . .
H62B H -0.0052 -0.1336 0.6877 0.289 Uiso 1 1 calc R U . . .
H62C H -0.1326 -0.1440 0.6737 0.289 Uiso 1 1 calc R U . . .
C63 C -0.057(3) -0.100(2) 0.7746(14) 0.152(15) Uani 1 1 d D U . . .
H63A H -0.0484 -0.0681 0.8073 0.228 Uiso 1 1 calc R U . . .
H63B H -0.1283 -0.1352 0.7644 0.228 Uiso 1 1 calc R U . . .
H63C H -0.0009 -0.1248 0.7785 0.228 Uiso 1 1 calc R U . . .
C64 C -0.106(4) 0.001(3) 0.741(3) 0.23(2) Uani 1 1 d D U . . .
H64A H -0.0809 0.0269 0.7772 0.342 Uiso 1 1 calc R U . . .
H64B H -0.0891 0.0349 0.7195 0.342 Uiso 1 1 calc R U . . .
H64C H -0.1836 -0.0211 0.7320 0.342 Uiso 1 1 calc R U . . .
O101 O 0.3299(19) 0.1363(13) 0.4694(8) 0.118(7) Uani 1 1 d D U . . .
C101 C 0.238(3) 0.076(2) 0.4501(15) 0.149(16) Uani 1 1 d D U . . .
C102 C 0.402(2) -0.1215(11) 0.7997(9) 0.056(6) Uani 1 1 d D U . . .
O102 O 0.376(3) -0.0560(13) 0.8011(13) 0.065(11) Uani 0.48(2) 1 d D U P B 1
O12A O 0.428(6) -0.111(4) 0.8542(12) 0.089(14) Uani 0.26(2) 1 d D U P B 2
O12B O 0.472(5) -0.143(4) 0.771(2) 0.089(14) Uani 0.26(2) 1 d D U P B 3


_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
Bi1 O5 2.112(17) . ?
Bi1 O6 2.130(16) . ?
Bi1 O4 2.498(17) . ?
Bi1 O3 2.686(16) . ?
Bi1 Bi3 3.5935(16) . ?
Bi1 Bi5 3.6702(15) . ?
Bi1 Bi4 3.6747(16) . ?
Bi1 Bi6 3.6982(15) . ?
Bi2 O4 2.162(16) . ?
Bi2 O30 2.231(17) . ?
Bi2 O24 2.345(19) . ?
Bi2 O33 2.371(18) . ?
Bi2 O17 2.519(19) . ?
Bi2 P10 3.170(8) . ?
Bi2 Bi4 3.6810(16) . ?
Bi3 O5 2.157(16) . ?
Bi3 O2 2.250(16) . ?
Bi3 O4 2.261(17) . ?
Bi3 O28 2.376(17) . ?
Bi3 O33 2.538(17) . ?
Bi3 O35 2.579(17) . ?
Bi3 Bi4 3.6994(16) . ?
Bi4 O6 2.138(16) . ?
Bi4 O2 2.167(17) . ?
Bi4 O14 2.432(17) . ?
Bi4 O4 2.443(16) . ?
Bi4 O23 2.462(18) . ?
Bi4 O17 2.678(17) . ?
Bi5 O6 2.153(16) . ?
Bi5 O1 2.200(16) . ?
Bi5 O3 2.271(16) . ?
Bi5 O20 2.432(17) . ?
Bi5 O11 2.570(17) . ?
Bi5 O14 2.639(17) . ?
Bi5 Bi6 3.6290(15) . ?
Bi5 Bi7 3.6744(15) . ?
Bi6 O5 2.159(16) . ?
Bi6 O1 2.169(15) . ?
Bi6 O3 2.368(16) . ?
Bi6 O27 2.435(17) . ?
Bi6 O35 2.443(17) . ?
Bi6 O8 2.687(18) . ?
Bi7 O3 2.153(16) . ?
Bi7 O19 2.198(16) . ?
Bi7 O11 2.284(16) . ?
Bi7 O25 2.307(18) . ?
Bi7 O8 2.494(18) . ?
Bi7 O101 2.76(2) . ?
Bi8 O1 2.120(15) . ?
Bi8 O36 2.244(18) . ?
Bi8 O13 2.248(17) . ?
Bi8 O9 2.377(16) . ?
Bi8 O12 2.401(18) . ?
Bi9 O2 2.091(17) . ?
Bi9 O15 2.202(19) . ?
Bi9 O34 2.208(17) . ?
Bi9 O16 2.42(2) . ?
Bi9 O32 2.524(19) . ?
Ag1 C43 2.17(4) . ?
Ag1 C59 2.19(3) . ?
Ag1 Ag2 2.833(4) . ?
Ag1 Ag8 2.866(4) . ?
Ag1 Ag5 3.060(4) . ?
Ag1 Ag4 3.082(4) . ?
Ag2 C53 2.16(4) . ?
Ag2 C43 2.17(4) . ?
Ag2 C54 2.50(4) . ?
Ag2 Ag5 2.903(4) . ?
Ag2 Ag6 3.055(4) . ?
Ag2 Ag3 3.113(5) . ?
Ag3 C37 2.16(4) . ?
Ag3 C53 2.18(4) . ?
Ag3 Ag6 2.797(6) . ?
Ag3 Ag4 2.807(5) . ?
Ag3 Ag7 3.178(5) . ?
Ag3A C37 2.35(5) . ?
Ag3A C53 2.66(6) . ?
Ag3A Ag4 3.34(4) . ?
Ag4 C59 2.13(4) . ?
Ag4 C37 2.17(4) . ?
Ag4 Ag8 2.911(4) . ?
Ag4 Ag7 2.952(4) . ?
Ag5 C43 2.23(3) . ?
Ag5 O29 2.291(19) . ?
Ag5 O24 2.36(2) . ?
Ag6 C53 2.09(3) . ?
Ag6 O26 2.171(18) . ?
Ag6 O29 2.42(2) . ?
Ag7 C37 2.24(3) . ?
Ag7 O21 2.307(18) . ?
Ag7 O25 2.48(2) . ?
Ag7 C38 2.65(3) . ?
Ag8 C59 2.17(3) . ?
Ag8 O22 2.183(19) . ?
Ag8 O21 2.406(18) . ?
P1 O31 1.51(2) . ?
P1 O32 1.51(2) . ?
P1 O33 1.529(19) . ?
P1 C1 1.84(3) . ?
P2 O17 1.50(2) . ?
P2 O16 1.51(2) . ?
P2 O18 1.52(2) . ?
P2 C21 1.79(3) . ?
P3 O34 1.514(18) . ?
P3 O35 1.524(18) . ?
P3 O36 1.524(19) . ?
P3 C9 1.84(3) . ?
P4 O13 1.522(19) . ?
P4 O14 1.530(19) . ?
P4 O15 1.53(2) . ?
P4 C33 1.80(3) . ?
P5 O12 1.50(2) . ?
P5 O10 1.51(2) . ?
P5 O11 1.555(18) . ?
P5 C49 1.82(3) . ?
P6 O8 1.491(19) . ?
P6 O9 1.497(19) . ?
P6 O7 1.523(19) . ?
P6 C13 1.79(3) . ?
P7 O20 1.485(18) . ?
P7 O21 1.510(19) . ?
P7 O19 1.529(18) . ?
P7 C29 1.82(3) . ?
P8 O27 1.482(18) . ?
P8 O26 1.510(18) . ?
P8 O25 1.523(19) . ?
P8 C17 1.79(3) . ?
P9 O30 1.512(19) . ?
P9 O29 1.54(2) . ?
P9 O28 1.545(19) . ?
P9 C5 1.86(3) . ?
P10 O22 1.483(19) . ?
P10 O23 1.50(2) . ?
P10 O24 1.550(19) . ?
P10 C25 1.81(3) . ?
C1 C2 1.46(4) . ?
C1 C4 1.49(4) . ?
C1 C3 1.54(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.46(4) . ?
C5 C7 1.51(4) . ?
C5 C8 1.54(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.46(4) . ?
C9 C12 1.54(4) . ?
C9 C11 1.55(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C16 1.47(4) . ?
C13 C14 1.52(4) . ?
C13 C15 1.54(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.49(4) . ?
C17 C20 1.54(4) . ?
C17 C18 1.60(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.47(4) . ?
C21 C22 1.51(4) . ?
C21 C24 1.53(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.49(4) . ?
C25 C27 1.50(4) . ?
C25 C28 1.51(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.51(4) . ?
C29 C32 1.54(4) . ?
C29 C30 1.55(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C35 1.44(4) . ?
C33 C34 1.51(4) . ?
C33 C36 1.54(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.24(4) . ?
C38 C39 1.48(5) . ?
C39 C41 1.46(4) . ?
C39 C40 1.52(5) . ?
C39 C42 1.54(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.07(4) . ?
C44 C45 1.46(6) . ?
C45 C47 1.42(7) . ?
C45 C46 1.48(7) . ?
C45 C48 1.55(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.49(4) . ?
C49 C50 1.49(4) . ?
C49 C52 1.58(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.21(4) . ?
C54 C55 1.47(5) . ?
C55 C57 1.49(6) . ?
C55 C56 1.54(6) . ?
C55 C58 1.70(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.22(4) . ?
C60 C61 1.57(5) . ?
C61 C62 1.54(2) . ?
C61 C63 1.54(2) . ?
C61 C64 1.54(2) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
O101 C101 1.425(19) . ?
C102 O102 1.418(19) . ?
C102 O12A 1.43(2) . ?
C102 O12B 1.44(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
O5 Bi1 O6 83.2(6) . . ?
O5 Bi1 O4 71.2(6) . . ?
O6 Bi1 O4 71.2(6) . . ?
O5 Bi1 O3 69.7(5) . . ?
O6 Bi1 O3 68.8(5) . . ?
O4 Bi1 O3 126.2(5) . . ?
O5 Bi1 Bi3 33.1(4) . . ?
O6 Bi1 Bi3 79.0(4) . . ?
O4 Bi1 Bi3 38.5(4) . . ?
O3 Bi1 Bi3 98.8(3) . . ?
O5 Bi1 Bi5 78.6(4) . . ?
O6 Bi1 Bi5 31.2(4) . . ?
O4 Bi1 Bi5 99.0(4) . . ?
O3 Bi1 Bi5 38.0(3) . . ?
Bi3 Bi1 Bi5 91.81(4) . . ?
O5 Bi1 Bi4 80.9(4) . . ?
O6 Bi1 Bi4 30.6(4) . . ?
O4 Bi1 Bi4 41.4(4) . . ?
O3 Bi1 Bi4 96.7(3) . . ?
Bi3 Bi1 Bi4 61.18(3) . . ?
Bi5 Bi1 Bi4 61.09(3) . . ?
O5 Bi1 Bi6 30.4(4) . . ?
O6 Bi1 Bi6 77.7(4) . . ?
O4 Bi1 Bi6 97.7(4) . . ?
O3 Bi1 Bi6 39.7(3) . . ?
Bi3 Bi1 Bi6 62.10(3) . . ?
Bi5 Bi1 Bi6 59.01(3) . . ?
Bi4 Bi1 Bi6 91.11(3) . . ?
O4 Bi2 O30 88.5(6) . . ?
O4 Bi2 O24 88.7(6) . . ?
O30 Bi2 O24 79.6(7) . . ?
O4 Bi2 O33 76.0(6) . . ?
O30 Bi2 O33 80.8(6) . . ?
O24 Bi2 O33 155.4(6) . . ?
O4 Bi2 O17 82.3(6) . . ?
O30 Bi2 O17 160.3(6) . . ?
O24 Bi2 O17 117.4(6) . . ?
O33 Bi2 O17 80.1(6) . . ?
O4 Bi2 P10 73.0(5) . . ?
O30 Bi2 P10 102.0(5) . . ?
O24 Bi2 P10 27.8(5) . . ?
O33 Bi2 P10 148.8(4) . . ?
O17 Bi2 P10 92.0(4) . . ?
O4 Bi2 Bi4 39.7(4) . . ?
O30 Bi2 Bi4 127.9(4) . . ?
O24 Bi2 Bi4 92.2(4) . . ?
O33 Bi2 Bi4 88.1(4) . . ?
O17 Bi2 Bi4 46.7(4) . . ?
P10 Bi2 Bi4 65.38(14) . . ?
O5 Bi3 O2 95.8(6) . . ?
O5 Bi3 O4 75.3(6) . . ?
O2 Bi3 O4 71.4(6) . . ?
O5 Bi3 O28 79.5(6) . . ?
O2 Bi3 O28 152.0(6) . . ?
O4 Bi3 O28 80.7(6) . . ?
O5 Bi3 O33 142.1(6) . . ?
O2 Bi3 O33 89.7(6) . . ?
O4 Bi3 O33 71.0(6) . . ?
O28 Bi3 O33 78.3(6) . . ?
O5 Bi3 O35 69.4(6) . . ?
O2 Bi3 O35 79.7(6) . . ?
O4 Bi3 O35 131.3(6) . . ?
O28 Bi3 O35 122.9(5) . . ?
O33 Bi3 O35 148.1(6) . . ?
O5 Bi3 Bi1 32.3(4) . . ?
O2 Bi3 Bi1 88.3(4) . . ?
O4 Bi3 Bi1 43.5(4) . . ?
O28 Bi3 Bi1 72.9(4) . . ?
O33 Bi3 Bi1 110.9(4) . . ?
O35 Bi3 Bi1 98.9(4) . . ?
O5 Bi3 Bi4 79.8(4) . . ?
O2 Bi3 Bi4 32.4(4) . . ?
O4 Bi3 Bi4 39.9(4) . . ?
O28 Bi3 Bi4 120.4(4) . . ?
O33 Bi3 Bi4 85.4(4) . . ?
O35 Bi3 Bi4 100.2(4) . . ?
Bi1 Bi3 Bi4 60.49(3) . . ?
O6 Bi4 O2 93.9(6) . . ?
O6 Bi4 O14 74.3(6) . . ?
O2 Bi4 O14 81.0(6) . . ?
O6 Bi4 O4 72.2(6) . . ?
O2 Bi4 O4 69.3(6) . . ?
O14 Bi4 O4 132.9(5) . . ?
O6 Bi4 O23 91.9(6) . . ?
O2 Bi4 O23 133.8(6) . . ?
O14 Bi4 O23 144.1(6) . . ?
O4 Bi4 O23 69.1(6) . . ?
O6 Bi4 O17 145.2(6) . . ?
O2 Bi4 O17 82.6(6) . . ?
O14 Bi4 O17 138.2(6) . . ?
O4 Bi4 O17 74.2(5) . . ?
O23 Bi4 O17 67.5(6) . . ?
O6 Bi4 Bi1 30.5(4) . . ?
O2 Bi4 Bi1 87.5(4) . . ?
O14 Bi4 Bi1 102.7(4) . . ?
O4 Bi4 Bi1 42.5(4) . . ?
O23 Bi4 Bi1 75.1(4) . . ?
O17 Bi4 Bi1 114.7(4) . . ?
O6 Bi4 Bi2 102.0(4) . . ?
O2 Bi4 Bi2 83.6(4) . . ?
O14 Bi4 Bi2 163.8(4) . . ?
O4 Bi4 Bi2 34.4(4) . . ?
O23 Bi4 Bi2 50.4(4) . . ?
O17 Bi4 Bi2 43.2(4) . . ?
Bi1 Bi4 Bi2 71.62(3) . . ?
O6 Bi4 Bi3 76.4(4) . . ?
O2 Bi4 Bi3 33.8(4) . . ?
O14 Bi4 Bi3 103.7(4) . . ?
O4 Bi4 Bi3 36.4(4) . . ?
O23 Bi4 Bi3 105.0(4) . . ?
O17 Bi4 Bi3 82.1(4) . . ?
Bi1 Bi4 Bi3 58.33(3) . . ?
Bi2 Bi4 Bi3 60.30(3) . . ?
O6 Bi5 O1 94.1(6) . . ?
O6 Bi5 O3 77.1(6) . . ?
O1 Bi5 O3 72.1(6) . . ?
O6 Bi5 O20 79.4(6) . . ?
O1 Bi5 O20 152.2(6) . . ?
O3 Bi5 O20 80.1(6) . . ?
O6 Bi5 O11 142.8(6) . . ?
O1 Bi5 O11 92.4(6) . . ?
O3 Bi5 O11 70.3(5) . . ?
O20 Bi5 O11 77.9(5) . . ?
O6 Bi5 O14 69.8(6) . . ?
O1 Bi5 O14 80.4(6) . . ?
O3 Bi5 O14 134.8(5) . . ?
O20 Bi5 O14 121.2(5) . . ?
O11 Bi5 O14 147.4(5) . . ?
O6 Bi5 Bi6 79.1(4) . . ?
O1 Bi5 Bi6 33.6(4) . . ?
O3 Bi5 Bi6 39.5(4) . . ?
O20 Bi5 Bi6 119.0(4) . . ?
O11 Bi5 Bi6 86.6(4) . . ?
O14 Bi5 Bi6 103.1(4) . . ?
O6 Bi5 Bi1 30.9(4) . . ?
O1 Bi5 Bi1 88.4(4) . . ?
O3 Bi5 Bi1 46.8(4) . . ?
O20 Bi5 Bi1 72.1(4) . . ?
O11 Bi5 Bi1 113.0(4) . . ?
O14 Bi5 Bi1 98.7(4) . . ?
Bi6 Bi5 Bi1 60.88(3) . . ?
O6 Bi5 Bi7 106.5(4) . . ?
O1 Bi5 Bi7 84.2(4) . . ?
O3 Bi5 Bi7 32.8(4) . . ?
O20 Bi5 Bi7 72.1(4) . . ?
O11 Bi5 Bi7 38.0(4) . . ?
O14 Bi5 Bi7 163.8(4) . . ?
Bi6 Bi5 Bi7 60.88(3) . . ?
Bi1 Bi5 Bi7 75.81(3) . . ?
O5 Bi6 O1 95.4(6) . . ?
O5 Bi6 O3 75.7(6) . . ?
O1 Bi6 O3 70.7(6) . . ?
O5 Bi6 O27 87.1(6) . . ?
O1 Bi6 O27 141.8(6) . . ?
O3 Bi6 O27 73.1(6) . . ?
O5 Bi6 O35 72.2(6) . . ?
O1 Bi6 O35 78.8(6) . . ?
O3 Bi6 O35 132.7(6) . . ?
O27 Bi6 O35 137.0(6) . . ?
O5 Bi6 O8 146.8(6) . . ?
O1 Bi6 O8 85.2(6) . . ?
O3 Bi6 O8 73.2(5) . . ?
O27 Bi6 O8 73.0(6) . . ?
O35 Bi6 O8 139.7(6) . . ?
O5 Bi6 Bi5 79.1(4) . . ?
O1 Bi6 Bi5 34.1(4) . . ?
O3 Bi6 Bi5 37.6(4) . . ?
O27 Bi6 Bi5 110.7(4) . . ?
O35 Bi6 Bi5 101.9(4) . . ?
O8 Bi6 Bi5 83.3(4) . . ?
O5 Bi6 Bi1 29.7(4) . . ?
O1 Bi6 Bi1 88.2(4) . . ?
O3 Bi6 Bi1 46.4(4) . . ?
O27 Bi6 Bi1 75.4(4) . . ?
O35 Bi6 Bi1 98.8(4) . . ?
O8 Bi6 Bi1 117.5(4) . . ?
Bi5 Bi6 Bi1 60.11(3) . . ?
O3 Bi7 O19 88.8(6) . . ?
O3 Bi7 O11 78.1(6) . . ?
O19 Bi7 O11 82.2(6) . . ?
O3 Bi7 O25 86.4(6) . . ?
O19 Bi7 O25 83.8(6) . . ?
O11 Bi7 O25 159.2(6) . . ?
O3 Bi7 O8 80.8(6) . . ?
O19 Bi7 O8 163.8(6) . . ?
O11 Bi7 O8 83.6(6) . . ?
O25 Bi7 O8 107.7(6) . . ?
O3 Bi7 O101 164.0(7) . . ?
O19 Bi7 O101 85.8(7) . . ?
O11 Bi7 O101 86.3(7) . . ?
O25 Bi7 O101 107.9(7) . . ?
O8 Bi7 O101 100.9(7) . . ?
O3 Bi7 Bi5 34.9(4) . . ?
O19 Bi7 Bi5 79.5(4) . . ?
O11 Bi7 Bi5 43.8(4) . . ?
O25 Bi7 Bi5 118.3(5) . . ?
O8 Bi7 Bi5 85.0(4) . . ?
O101 Bi7 Bi5 129.1(5) . . ?
O1 Bi8 O36 85.8(6) . . ?
O1 Bi8 O13 86.2(6) . . ?
O36 Bi8 O13 91.7(7) . . ?
O1 Bi8 O9 80.8(6) . . ?
O36 Bi8 O9 83.7(6) . . ?
O13 Bi8 O9 166.5(6) . . ?
O1 Bi8 O12 80.5(6) . . ?
O36 Bi8 O12 165.3(6) . . ?
O13 Bi8 O12 82.1(7) . . ?
O9 Bi8 O12 99.3(7) . . ?
O2 Bi9 O15 88.4(7) . . ?
O2 Bi9 O34 85.7(6) . . ?
O15 Bi9 O34 92.0(7) . . ?
O2 Bi9 O16 78.7(7) . . ?
O15 Bi9 O16 79.7(7) . . ?
O34 Bi9 O16 162.5(7) . . ?
O2 Bi9 O32 81.5(6) . . ?
O15 Bi9 O32 168.0(7) . . ?
O34 Bi9 O32 80.9(7) . . ?
O16 Bi9 O32 104.3(7) . . ?
C43 Ag1 C59 166.3(13) . . ?
C43 Ag1 Ag2 49.4(10) . . ?
C59 Ag1 Ag2 124.6(10) . . ?
C43 Ag1 Ag8 118.1(9) . . ?
C59 Ag1 Ag8 48.7(9) . . ?
Ag2 Ag1 Ag8 103.42(12) . . ?
C43 Ag1 Ag5 46.9(9) . . ?
C59 Ag1 Ag5 119.7(9) . . ?
Ag2 Ag1 Ag5 58.88(10) . . ?
Ag8 Ag1 Ag5 71.26(9) . . ?
C43 Ag1 Ag4 129.7(10) . . ?
C59 Ag1 Ag4 43.8(10) . . ?
Ag2 Ag1 Ag4 81.10(12) . . ?
Ag8 Ag1 Ag4 58.46(9) . . ?
Ag5 Ag1 Ag4 104.06(11) . . ?
C53 Ag2 C43 157.1(14) . . ?
C53 Ag2 C54 29.0(11) . . ?
C43 Ag2 C54 146.5(14) . . ?
C53 Ag2 Ag1 139.9(10) . . ?
C43 Ag2 Ag1 49.1(10) . . ?
C54 Ag2 Ag1 164.2(10) . . ?
C53 Ag2 Ag5 110.5(9) . . ?
C43 Ag2 Ag5 49.7(9) . . ?
C54 Ag2 Ag5 124.9(10) . . ?
Ag1 Ag2 Ag5 64.48(10) . . ?
C53 Ag2 Ag6 43.0(9) . . ?
C43 Ag2 Ag6 119.5(9) . . ?
C54 Ag2 Ag6 68.5(9) . . ?
Ag1 Ag2 Ag6 107.64(12) . . ?
Ag5 Ag2 Ag6 69.82(10) . . ?
C53 Ag2 Ag3 44.5(10) . . ?
C43 Ag2 Ag3 145.9(10) . . ?
C54 Ag2 Ag3 66.8(9) . . ?
Ag1 Ag2 Ag3 98.31(13) . . ?
Ag5 Ag2 Ag3 112.58(14) . . ?
Ag6 Ag2 Ag3 53.92(11) . . ?
C37 Ag3 C53 161.6(13) . . ?
C37 Ag3 Ag6 114.3(9) . . ?
C53 Ag3 Ag6 47.6(9) . . ?
C37 Ag3 Ag4 49.7(10) . . ?
C53 Ag3 Ag4 123.2(10) . . ?
Ag6 Ag3 Ag4 100.67(19) . . ?
C37 Ag3 Ag2 130.2(10) . . ?
C53 Ag3 Ag2 44.1(10) . . ?
Ag6 Ag3 Ag2 61.99(12) . . ?
Ag4 Ag3 Ag2 80.97(14) . . ?
C37 Ag3 Ag7 44.8(9) . . ?
C53 Ag3 Ag7 117.0(9) . . ?
Ag6 Ag3 Ag7 69.56(13) . . ?
Ag4 Ag3 Ag7 58.73(11) . . ?
Ag2 Ag3 Ag7 107.62(17) . . ?
C37 Ag3A C53 118(2) . . ?
C37 Ag3A Ag4 40.3(11) . . ?
C53 Ag3A Ag4 93.7(17) . . ?
C59 Ag4 C37 161.3(13) . . ?
C59 Ag4 Ag3 144.2(9) . . ?
C37 Ag4 Ag3 49.3(10) . . ?
C59 Ag4 Ag8 48.1(9) . . ?
C37 Ag4 Ag8 121.0(9) . . ?
Ag3 Ag4 Ag8 112.22(16) . . ?
C59 Ag4 Ag7 117.6(9) . . ?
C37 Ag4 Ag7 49.0(9) . . ?
Ag3 Ag4 Ag7 66.92(12) . . ?
Ag8 Ag4 Ag7 72.00(9) . . ?
C59 Ag4 Ag1 45.3(9) . . ?
C37 Ag4 Ag1 147.8(10) . . ?
Ag3 Ag4 Ag1 99.58(13) . . ?
Ag8 Ag4 Ag1 57.05(9) . . ?
Ag7 Ag4 Ag1 117.33(12) . . ?
C59 Ag4 Ag3A 153.0(11) . . ?
C37 Ag4 Ag3A 44.4(11) . . ?
Ag8 Ag4 Ag3A 127.5(7) . . ?
Ag7 Ag4 Ag3A 75.1(5) . . ?
Ag1 Ag4 Ag3A 108.0(7) . . ?
C43 Ag5 O29 142.4(11) . . ?
C43 Ag5 O24 122.1(11) . . ?
O29 Ag5 O24 93.1(7) . . ?
C43 Ag5 Ag2 47.9(10) . . ?
O29 Ag5 Ag2 98.2(5) . . ?
O24 Ag5 Ag2 168.2(5) . . ?
C43 Ag5 Ag1 45.0(10) . . ?
O29 Ag5 Ag1 136.6(5) . . ?
O24 Ag5 Ag1 112.2(5) . . ?
Ag2 Ag5 Ag1 56.65(10) . . ?
C53 Ag6 O26 150.4(11) . . ?
C53 Ag6 O29 125.2(11) . . ?
O26 Ag6 O29 84.0(7) . . ?
C53 Ag6 Ag3 50.6(11) . . ?
O26 Ag6 Ag3 107.9(5) . . ?
O29 Ag6 Ag3 148.3(5) . . ?
C53 Ag6 Ag2 45.1(10) . . ?
O26 Ag6 Ag2 152.6(5) . . ?
O29 Ag6 Ag2 91.6(5) . . ?
Ag3 Ag6 Ag2 64.09(11) . . ?
C37 Ag7 O21 136.8(11) . . ?
C37 Ag7 O25 124.1(10) . . ?
O21 Ag7 O25 96.4(6) . . ?
C37 Ag7 C38 27.7(10) . . ?
O21 Ag7 C38 138.5(9) . . ?
O25 Ag7 C38 103.8(9) . . ?
C37 Ag7 Ag4 46.9(10) . . ?
O21 Ag7 Ag4 93.6(5) . . ?
O25 Ag7 Ag4 169.7(4) . . ?
C38 Ag7 Ag4 69.6(8) . . ?
C37 Ag7 Ag3 42.7(9) . . ?
O21 Ag7 Ag3 134.1(4) . . ?
O25 Ag7 Ag3 116.1(4) . . ?
C38 Ag7 Ag3 66.0(8) . . ?
Ag4 Ag7 Ag3 54.35(10) . . ?
C59 Ag8 O22 148.4(10) . . ?
C59 Ag8 O21 127.5(10) . . ?
O22 Ag8 O21 82.5(7) . . ?
C59 Ag8 Ag1 49.2(9) . . ?
O22 Ag8 Ag1 110.8(5) . . ?
O21 Ag8 Ag1 150.4(4) . . ?
C59 Ag8 Ag4 46.9(10) . . ?
O22 Ag8 Ag4 156.6(5) . . ?
O21 Ag8 Ag4 92.6(4) . . ?
Ag1 Ag8 Ag4 64.49(10) . . ?
O31 P1 O32 113.2(13) . . ?
O31 P1 O33 112.5(12) . . ?
O32 P1 O33 110.0(11) . . ?
O31 P1 C1 108.4(13) . . ?
O32 P1 C1 108.2(14) . . ?
O33 P1 C1 104.1(12) . . ?
O17 P2 O16 109.6(11) . . ?
O17 P2 O18 113.1(12) . . ?
O16 P2 O18 109.5(15) . . ?
O17 P2 C21 110.2(15) . . ?
O16 P2 C21 107.9(15) . . ?
O18 P2 C21 106.5(15) . . ?
O34 P3 O35 110.0(11) . . ?
O34 P3 O36 112.3(11) . . ?
O35 P3 O36 111.9(10) . . ?
O34 P3 C9 106.7(12) . . ?
O35 P3 C9 110.3(12) . . ?
O36 P3 C9 105.5(11) . . ?
O13 P4 O14 111.8(11) . . ?
O13 P4 O15 113.3(12) . . ?
O14 P4 O15 113.3(11) . . ?
O13 P4 C33 105.8(13) . . ?
O14 P4 C33 106.8(13) . . ?
O15 P4 C33 105.0(13) . . ?
O12 P5 O10 113.0(12) . . ?
O12 P5 O11 110.6(10) . . ?
O10 P5 O11 111.2(11) . . ?
O12 P5 C49 109.7(12) . . ?
O10 P5 C49 107.6(12) . . ?
O11 P5 C49 104.3(11) . . ?
O8 P6 O9 109.4(11) . . ?
O8 P6 O7 112.3(11) . . ?
O9 P6 O7 110.1(12) . . ?
O8 P6 C13 107.1(12) . . ?
O9 P6 C13 110.3(12) . . ?
O7 P6 C13 107.6(12) . . ?
O20 P7 O21 111.0(11) . . ?
O20 P7 O19 114.3(10) . . ?
O21 P7 O19 108.6(10) . . ?
O20 P7 C29 106.9(12) . . ?
O21 P7 C29 110.2(12) . . ?
O19 P7 C29 105.7(11) . . ?
O27 P8 O26 112.9(11) . . ?
O27 P8 O25 107.7(11) . . ?
O26 P8 O25 108.7(11) . . ?
O27 P8 C17 105.8(12) . . ?
O26 P8 C17 112.8(11) . . ?
O25 P8 C17 108.7(11) . . ?
O30 P9 O29 108.1(11) . . ?
O30 P9 O28 114.7(11) . . ?
O29 P9 O28 114.0(11) . . ?
O30 P9 C5 102.9(12) . . ?
O29 P9 C5 109.4(13) . . ?
O28 P9 C5 107.1(12) . . ?
O22 P10 O23 112.8(11) . . ?
O22 P10 O24 108.5(12) . . ?
O23 P10 O24 107.6(12) . . ?
O22 P10 C25 113.2(12) . . ?
O23 P10 C25 106.5(12) . . ?
O24 P10 C25 108.0(12) . . ?
O22 P10 Bi2 117.5(8) . . ?
O23 P10 Bi2 63.6(8) . . ?
O24 P10 Bi2 45.0(8) . . ?
C25 P10 Bi2 128.0(9) . . ?
Bi8 O1 Bi6 120.4(7) . . ?
Bi8 O1 Bi5 120.1(7) . . ?
Bi6 O1 Bi5 112.3(7) . . ?
Bi9 O2 Bi4 120.8(7) . . ?
Bi9 O2 Bi3 120.1(8) . . ?
Bi4 O2 Bi3 113.8(7) . . ?
Bi7 O3 Bi5 112.3(7) . . ?
Bi7 O3 Bi6 109.8(7) . . ?
Bi5 O3 Bi6 102.9(6) . . ?
Bi7 O3 Bi1 137.4(7) . . ?
Bi5 O3 Bi1 95.2(6) . . ?
Bi6 O3 Bi1 93.9(5) . . ?
Bi2 O4 Bi3 113.9(7) . . ?
Bi2 O4 Bi4 106.0(7) . . ?
Bi3 O4 Bi4 103.6(6) . . ?
Bi2 O4 Bi1 134.8(8) . . ?
Bi3 O4 Bi1 97.9(6) . . ?
Bi4 O4 Bi1 96.1(6) . . ?
Bi1 O5 Bi3 114.6(7) . . ?
Bi1 O5 Bi6 120.0(7) . . ?
Bi3 O5 Bi6 121.3(8) . . ?
Bi1 O6 Bi4 118.8(7) . . ?
Bi1 O6 Bi5 117.9(7) . . ?
Bi4 O6 Bi5 120.9(7) . . ?
P6 O8 Bi7 159.0(11) . . ?
P6 O8 Bi6 103.0(9) . . ?
Bi7 O8 Bi6 91.1(5) . . ?
P6 O9 Bi8 127.4(10) . . ?
P5 O11 Bi7 137.7(10) . . ?
P5 O11 Bi5 105.9(9) . . ?
Bi7 O11 Bi5 98.2(6) . . ?
P5 O12 Bi8 143.5(11) . . ?
P4 O13 Bi8 137.3(10) . . ?
P4 O14 Bi4 132.7(10) . . ?
P4 O14 Bi5 122.8(9) . . ?
Bi4 O14 Bi5 94.7(6) . . ?
P4 O15 Bi9 139.9(11) . . ?
P2 O16 Bi9 118.1(12) . . ?
P2 O17 Bi2 163.7(11) . . ?
P2 O17 Bi4 100.6(9) . . ?
Bi2 O17 Bi4 90.1(6) . . ?
P7 O19 Bi7 127.5(10) . . ?
P7 O20 Bi5 130.7(10) . . ?
P7 O21 Ag7 114.6(10) . . ?
P7 O21 Ag8 133.1(10) . . ?
Ag7 O21 Ag8 94.0(7) . . ?
P10 O22 Ag8 135.7(12) . . ?
P10 O23 Bi4 138.8(11) . . ?
P10 O24 Bi2 107.2(10) . . ?
P10 O24 Ag5 113.6(11) . . ?
Bi2 O24 Ag5 119.5(8) . . ?
P8 O25 Bi7 119.2(10) . . ?
P8 O25 Ag7 101.4(10) . . ?
Bi7 O25 Ag7 114.0(7) . . ?
P8 O26 Ag6 137.5(11) . . ?
P8 O27 Bi6 140.1(10) . . ?
P9 O28 Bi3 129.6(9) . . ?
P9 O29 Ag5 115.0(10) . . ?
P9 O29 Ag6 133.3(11) . . ?
Ag5 O29 Ag6 92.9(7) . . ?
P9 O30 Bi2 125.4(10) . . ?
P1 O32 Bi9 136.6(11) . . ?
P1 O33 Bi2 136.9(10) . . ?
P1 O33 Bi3 110.0(9) . . ?
Bi2 O33 Bi3 98.0(6) . . ?
P3 O34 Bi9 140.2(11) . . ?
P3 O35 Bi6 133.1(10) . . ?
P3 O35 Bi3 123.8(9) . . ?
Bi6 O35 Bi3 97.0(6) . . ?
P3 O36 Bi8 141.2(11) . . ?
C2 C1 C4 112(3) . . ?
C2 C1 C3 107(3) . . ?
C4 C1 C3 110(3) . . ?
C2 C1 P1 109(2) . . ?
C4 C1 P1 110(2) . . ?
C3 C1 P1 109(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C7 110(3) . . ?
C6 C5 C8 110(3) . . ?
C7 C5 C8 110(3) . . ?
C6 C5 P9 112(2) . . ?
C7 C5 P9 108(2) . . ?
C8 C5 P9 106(2) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C12 112(2) . . ?
C10 C9 C11 111(3) . . ?
C12 C9 C11 107(2) . . ?
C10 C9 P3 112(2) . . ?
C12 C9 P3 105.5(19) . . ?
C11 C9 P3 108.7(18) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C16 C13 C14 109(2) . . ?
C16 C13 C15 111(2) . . ?
C14 C13 C15 106(2) . . ?
C16 C13 P6 109(2) . . ?
C14 C13 P6 111.7(18) . . ?
C15 C13 P6 110.6(18) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C20 112(2) . . ?
C19 C17 C18 106(2) . . ?
C20 C17 C18 105(2) . . ?
C19 C17 P8 112.5(19) . . ?
C20 C17 P8 109.5(19) . . ?
C18 C17 P8 112.0(18) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C22 110(3) . . ?
C23 C21 C24 109(3) . . ?
C22 C21 C24 105(3) . . ?
C23 C21 P2 113(3) . . ?
C22 C21 P2 111(2) . . ?
C24 C21 P2 109(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C27 110(2) . . ?
C26 C25 C28 111(3) . . ?
C27 C25 C28 106(3) . . ?
C26 C25 P10 108(2) . . ?
C27 C25 P10 112(2) . . ?
C28 C25 P10 110(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C32 109(2) . . ?
C31 C29 C30 109(2) . . ?
C32 C29 C30 110(2) . . ?
C31 C29 P7 112.5(19) . . ?
C32 C29 P7 110(2) . . ?
C30 C29 P7 107.2(18) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 C34 109(3) . . ?
C35 C33 C36 110(3) . . ?
C34 C33 C36 109(3) . . ?
C35 C33 P4 110(2) . . ?
C34 C33 P4 109(2) . . ?
C36 C33 P4 109(2) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Ag3 140(3) . . ?
C38 C37 Ag4 139(3) . . ?
Ag3 C37 Ag4 80.9(13) . . ?
C38 C37 Ag7 95(2) . . ?
Ag3 C37 Ag7 92.6(13) . . ?
Ag4 C37 Ag7 84.1(12) . . ?
C38 C37 Ag3A 122(3) . . ?
Ag4 C37 Ag3A 95.3(17) . . ?
Ag7 C37 Ag3A 113.9(18) . . ?
C37 C38 C39 176(4) . . ?
C37 C38 Ag7 57(2) . . ?
C39 C38 Ag7 127(2) . . ?
C41 C39 C38 109(3) . . ?
C41 C39 C40 111(3) . . ?
C38 C39 C40 108(3) . . ?
C41 C39 C42 108(3) . . ?
C38 C39 C42 107(3) . . ?
C40 C39 C42 114(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 Ag1 145(4) . . ?
C44 C43 Ag2 132(4) . . ?
Ag1 C43 Ag2 81.5(13) . . ?
C44 C43 Ag5 105(4) . . ?
Ag1 C43 Ag5 88.1(13) . . ?
Ag2 C43 Ag5 82.3(13) . . ?
C43 C44 C45 170(6) . . ?
C47 C45 C44 117(5) . . ?
C47 C45 C46 110(3) . . ?
C44 C45 C46 114(5) . . ?
C47 C45 C48 106(4) . . ?
C44 C45 C48 105(4) . . ?
C46 C45 C48 103(4) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C49 C50 111(3) . . ?
C51 C49 C52 112(3) . . ?
C50 C49 C52 106(2) . . ?
C51 C49 P5 110.1(19) . . ?
C50 C49 P5 109(2) . . ?
C52 C49 P5 108.6(18) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 Ag6 146(4) . . ?
C54 C53 Ag2 91(3) . . ?
Ag6 C53 Ag2 91.9(14) . . ?
C54 C53 Ag3 132(3) . . ?
Ag6 C53 Ag3 81.8(12) . . ?
Ag2 C53 Ag3 91.4(15) . . ?
C54 C53 Ag3A 114(3) . . ?
Ag6 C53 Ag3A 99.2(15) . . ?
Ag2 C53 Ag3A 101.3(17) . . ?
C53 C54 C55 175(5) . . ?
C53 C54 Ag2 60(3) . . ?
C55 C54 Ag2 124(3) . . ?
C54 C55 C57 117(5) . . ?
C54 C55 C56 109(4) . . ?
C57 C55 C56 113(4) . . ?
C54 C55 C58 109(4) . . ?
C57 C55 C58 105(3) . . ?
C56 C55 C58 103(3) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 Ag4 131(3) . . ?
C60 C59 Ag8 128(3) . . ?
Ag4 C59 Ag8 85.0(13) . . ?
C60 C59 Ag1 125(3) . . ?
Ag4 C59 Ag1 90.9(14) . . ?
Ag8 C59 Ag1 82.1(12) . . ?
C59 C60 C61 176(4) . . ?
C62 C61 C63 108(3) . . ?
C62 C61 C64 127(4) . . ?
C63 C61 C64 108(4) . . ?
C62 C61 C60 101(3) . . ?
C63 C61 C60 103(3) . . ?
C64 C61 C60 107(3) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C101 O101 Bi7 127(2) . . ?

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
O9 P6 O8 Bi7 109(3) . . . . ?
O7 P6 O8 Bi7 -13(4) . . . . ?
C13 P6 O8 Bi7 -131(3) . . . . ?
O9 P6 O8 Bi6 -21.8(11) . . . . ?
O7 P6 O8 Bi6 -144.4(10) . . . . ?
C13 P6 O8 Bi6 97.7(11) . . . . ?
O8 P6 O9 Bi8 -69.5(14) . . . . ?
O7 P6 O9 Bi8 54.3(15) . . . . ?
C13 P6 O9 Bi8 172.9(12) . . . . ?
O12 P5 O11 Bi7 -102.3(16) . . . . ?
O10 P5 O11 Bi7 24.1(19) . . . . ?
C49 P5 O11 Bi7 139.8(16) . . . . ?
O12 P5 O11 Bi5 19.9(12) . . . . ?
O10 P5 O11 Bi5 146.4(9) . . . . ?
C49 P5 O11 Bi5 -98.0(12) . . . . ?
O10 P5 O12 Bi8 -62(2) . . . . ?
O11 P5 O12 Bi8 64(2) . . . . ?
C49 P5 O12 Bi8 178.3(17) . . . . ?
O14 P4 O13 Bi8 -58(2) . . . . ?
O15 P4 O13 Bi8 71.3(19) . . . . ?
C33 P4 O13 Bi8 -174.1(17) . . . . ?
O13 P4 O14 Bi4 139.0(12) . . . . ?
O15 P4 O14 Bi4 9.5(17) . . . . ?
C33 P4 O14 Bi4 -105.7(15) . . . . ?
O13 P4 O14 Bi5 2.3(14) . . . . ?
O15 P4 O14 Bi5 -127.2(11) . . . . ?
C33 P4 O14 Bi5 117.6(13) . . . . ?
O13 P4 O15 Bi9 -112.1(18) . . . . ?
O14 P4 O15 Bi9 17(2) . . . . ?
C33 P4 O15 Bi9 132.9(18) . . . . ?
O17 P2 O16 Bi9 -75.5(14) . . . . ?
O18 P2 O16 Bi9 49.1(16) . . . . ?
C21 P2 O16 Bi9 164.6(14) . . . . ?
O16 P2 O17 Bi2 113(4) . . . . ?
O18 P2 O17 Bi2 -9(5) . . . . ?
C21 P2 O17 Bi2 -128(4) . . . . ?
O16 P2 O17 Bi4 -16.9(12) . . . . ?
O18 P2 O17 Bi4 -139.3(13) . . . . ?
C21 P2 O17 Bi4 101.7(14) . . . . ?
O20 P7 O19 Bi7 49.6(16) . . . . ?
O21 P7 O19 Bi7 -74.9(14) . . . . ?
C29 P7 O19 Bi7 166.9(13) . . . . ?
O21 P7 O20 Bi5 78.6(15) . . . . ?
O19 P7 O20 Bi5 -44.7(16) . . . . ?
C29 P7 O20 Bi5 -161.2(13) . . . . ?
O20 P7 O21 Ag7 -150.8(10) . . . . ?
O19 P7 O21 Ag7 -24.4(13) . . . . ?
C29 P7 O21 Ag7 90.9(13) . . . . ?
O20 P7 O21 Ag8 87.0(16) . . . . ?
O19 P7 O21 Ag8 -146.5(13) . . . . ?
C29 P7 O21 Ag8 -31.2(19) . . . . ?
O23 P10 O22 Ag8 -159.2(14) . . . . ?
O24 P10 O22 Ag8 81.7(17) . . . . ?
C25 P10 O22 Ag8 -38(2) . . . . ?
Bi2 P10 O22 Ag8 129.8(13) . . . . ?
O22 P10 O23 Bi4 -26(2) . . . . ?
O24 P10 O23 Bi4 93.5(17) . . . . ?
C25 P10 O23 Bi4 -151.0(16) . . . . ?
Bi2 P10 O23 Bi4 84.3(15) . . . . ?
O22 P10 O24 Bi2 110.7(11) . . . . ?
O23 P10 O24 Bi2 -11.6(13) . . . . ?
C25 P10 O24 Bi2 -126.2(11) . . . . ?
O22 P10 O24 Ag5 -23.6(14) . . . . ?
O23 P10 O24 Ag5 -145.9(10) . . . . ?
C25 P10 O24 Ag5 99.5(13) . . . . ?
Bi2 P10 O24 Ag5 -134.3(14) . . . . ?
O27 P8 O25 Bi7 -18.9(14) . . . . ?
O26 P8 O25 Bi7 103.7(12) . . . . ?
C17 P8 O25 Bi7 -133.1(12) . . . . ?
O27 P8 O25 Ag7 -144.9(9) . . . . ?
O26 P8 O25 Ag7 -22.3(11) . . . . ?
C17 P8 O25 Ag7 100.9(11) . . . . ?
O27 P8 O26 Ag6 -137.1(15) . . . . ?
O25 P8 O26 Ag6 103.5(16) . . . . ?
C17 P8 O26 Ag6 -17(2) . . . . ?
O26 P8 O27 Bi6 -44(2) . . . . ?
O25 P8 O27 Bi6 76.2(19) . . . . ?
C17 P8 O27 Bi6 -167.7(17) . . . . ?
O30 P9 O28 Bi3 -48.1(16) . . . . ?
O29 P9 O28 Bi3 77.2(15) . . . . ?
C5 P9 O28 Bi3 -161.6(13) . . . . ?
O30 P9 O29 Ag5 -25.9(14) . . . . ?
O28 P9 O29 Ag5 -154.7(9) . . . . ?
C5 P9 O29 Ag5 85.4(14) . . . . ?
O30 P9 O29 Ag6 -147.0(13) . . . . ?
O28 P9 O29 Ag6 84.3(16) . . . . ?
C5 P9 O29 Ag6 -35.6(18) . . . . ?
O29 P9 O30 Bi2 -74.7(15) . . . . ?
O28 P9 O30 Bi2 53.7(15) . . . . ?
C5 P9 O30 Bi2 169.7(14) . . . . ?
O31 P1 O32 Bi9 -63.6(19) . . . . ?
O33 P1 O32 Bi9 63.2(19) . . . . ?
C1 P1 O32 Bi9 176.3(15) . . . . ?
O31 P1 O33 Bi2 16.6(19) . . . . ?
O32 P1 O33 Bi2 -110.6(15) . . . . ?
C1 P1 O33 Bi2 133.7(15) . . . . ?
O31 P1 O33 Bi3 143.9(10) . . . . ?
O32 P1 O33 Bi3 16.8(13) . . . . ?
C1 P1 O33 Bi3 -98.9(12) . . . . ?
O35 P3 O34 Bi9 -55.7(19) . . . . ?
O36 P3 O34 Bi9 69.6(19) . . . . ?
C9 P3 O34 Bi9 -175.4(16) . . . . ?
O34 P3 O35 Bi6 140.3(12) . . . . ?
O36 P3 O35 Bi6 14.8(16) . . . . ?
C9 P3 O35 Bi6 -102.3(15) . . . . ?
O34 P3 O35 Bi3 -5.5(14) . . . . ?
O36 P3 O35 Bi3 -131.0(10) . . . . ?
C9 P3 O35 Bi3 111.9(13) . . . . ?
O34 P3 O36 Bi8 -109.9(17) . . . . ?
O35 P3 O36 Bi8 14(2) . . . . ?
C9 P3 O36 Bi8 134.3(17) . . . . ?
O31 P1 C1 C2 58(3) . . . . ?
O32 P1 C1 C2 -179(2) . . . . ?
O33 P1 C1 C2 -62(2) . . . . ?
O31 P1 C1 C4 -179(2) . . . . ?
O32 P1 C1 C4 -56(3) . . . . ?
O33 P1 C1 C4 61(3) . . . . ?
O31 P1 C1 C3 -58(3) . . . . ?
O32 P1 C1 C3 65(2) . . . . ?
O33 P1 C1 C3 -178(2) . . . . ?
O30 P9 C5 C6 56(3) . . . . ?
O29 P9 C5 C6 -58(3) . . . . ?
O28 P9 C5 C6 178(2) . . . . ?
O30 P9 C5 C7 178(2) . . . . ?
O29 P9 C5 C7 63(2) . . . . ?
O28 P9 C5 C7 -61(2) . . . . ?
O30 P9 C5 C8 -64(2) . . . . ?
O29 P9 C5 C8 -179(2) . . . . ?
O28 P9 C5 C8 57(2) . . . . ?
O34 P3 C9 C10 -65(2) . . . . ?
O35 P3 C9 C10 175(2) . . . . ?
O36 P3 C9 C10 54(2) . . . . ?
O34 P3 C9 C12 172.5(16) . . . . ?
O35 P3 C9 C12 53.0(19) . . . . ?
O36 P3 C9 C12 -68.0(19) . . . . ?
O34 P3 C9 C11 58(2) . . . . ?
O35 P3 C9 C11 -62(2) . . . . ?
O36 P3 C9 C11 177.3(19) . . . . ?
O8 P6 C13 C16 61(2) . . . . ?
O9 P6 C13 C16 179.6(19) . . . . ?
O7 P6 C13 C16 -60(2) . . . . ?
O8 P6 C13 C14 -60(2) . . . . ?
O9 P6 C13 C14 59(2) . . . . ?
O7 P6 C13 C14 179(2) . . . . ?
O8 P6 C13 C15 -177.2(18) . . . . ?
O9 P6 C13 C15 -58(2) . . . . ?
O7 P6 C13 C15 62(2) . . . . ?
O27 P8 C17 C19 73(2) . . . . ?
O26 P8 C17 C19 -51(2) . . . . ?
O25 P8 C17 C19 -171(2) . . . . ?
O27 P8 C17 C20 -52(2) . . . . ?
O26 P8 C17 C20 -175.6(19) . . . . ?
O25 P8 C17 C20 64(2) . . . . ?
O27 P8 C17 C18 -167.3(18) . . . . ?
O26 P8 C17 C18 69(2) . . . . ?
O25 P8 C17 C18 -52(2) . . . . ?
O17 P2 C21 C23 -180(2) . . . . ?
O16 P2 C21 C23 -60(3) . . . . ?
O18 P2 C21 C23 57(3) . . . . ?
O17 P2 C21 C22 57(3) . . . . ?
O16 P2 C21 C22 176(2) . . . . ?
O18 P2 C21 C22 -66(3) . . . . ?
O17 P2 C21 C24 -59(3) . . . . ?
O16 P2 C21 C24 61(3) . . . . ?
O18 P2 C21 C24 178(2) . . . . ?
O22 P10 C25 C26 -176.0(19) . . . . ?
O23 P10 C25 C26 -51(2) . . . . ?
O24 P10 C25 C26 64(2) . . . . ?
Bi2 P10 C25 C26 18(2) . . . . ?
O22 P10 C25 C27 63(2) . . . . ?
O23 P10 C25 C27 -173(2) . . . . ?
O24 P10 C25 C27 -57(2) . . . . ?
Bi2 P10 C25 C27 -104(2) . . . . ?
O22 P10 C25 C28 -55(3) . . . . ?
O23 P10 C25 C28 69(2) . . . . ?
O24 P10 C25 C28 -175(2) . . . . ?
Bi2 P10 C25 C28 138.5(19) . . . . ?
O20 P7 C29 C31 180.0(19) . . . . ?
O21 P7 C29 C31 -59(2) . . . . ?
O19 P7 C29 C31 58(2) . . . . ?
O20 P7 C29 C32 -59(2) . . . . ?
O21 P7 C29 C32 62(2) . . . . ?
O19 P7 C29 C32 179.0(19) . . . . ?
O20 P7 C29 C30 61(2) . . . . ?
O21 P7 C29 C30 -178.6(19) . . . . ?
O19 P7 C29 C30 -62(2) . . . . ?
O13 P4 C33 C35 -67(3) . . . . ?
O14 P4 C33 C35 174(2) . . . . ?
O15 P4 C33 C35 53(3) . . . . ?
O13 P4 C33 C34 53(2) . . . . ?
O14 P4 C33 C34 -66(2) . . . . ?
O15 P4 C33 C34 173(2) . . . . ?
O13 P4 C33 C36 173(2) . . . . ?
O14 P4 C33 C36 53(3) . . . . ?
O15 P4 C33 C36 -67(3) . . . . ?
Ag3 C37 C38 Ag7 -100(4) . . . . ?
Ag4 C37 C38 Ag7 87(4) . . . . ?
Ag3A C37 C38 Ag7 -122(3) . . . . ?
Ag7 C38 C39 C41 -116(3) . . . . ?
Ag7 C38 C39 C40 5(4) . . . . ?
Ag7 C38 C39 C42 128(3) . . . . ?
Ag1 C43 C44 C45 37(39) . . . . ?
Ag2 C43 C44 C45 -121(33) . . . . ?
Ag5 C43 C44 C45 146(33) . . . . ?
C43 C44 C45 C47 12(37) . . . . ?
C43 C44 C45 C46 143(34) . . . . ?
C43 C44 C45 C48 -105(34) . . . . ?
O12 P5 C49 C51 60(3) . . . . ?
O10 P5 C49 C51 -63(3) . . . . ?
O11 P5 C49 C51 179(2) . . . . ?
O12 P5 C49 C50 -178(2) . . . . ?
O10 P5 C49 C50 59(2) . . . . ?
O11 P5 C49 C50 -60(2) . . . . ?
O12 P5 C49 C52 -63(2) . . . . ?
O10 P5 C49 C52 174(2) . . . . ?
O11 P5 C49 C52 55(2) . . . . ?
Ag6 C53 C54 Ag2 95(6) . . . . ?
Ag3 C53 C54 Ag2 -93(4) . . . . ?
Ag3A C53 C54 Ag2 -103(3) . . . . ?
Ag2 C54 C55 C57 97(5) . . . . ?
Ag2 C54 C55 C56 -134(4) . . . . ?
Ag2 C54 C55 C58 -23(5) . . . . ?

_refine_diff_density_max         1.794
_refine_diff_density_min         -1.332
_refine_diff_density_rms         0.215


# start Validation Reply Form
_vrf_THETM01_Complex3            
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
Calculated sin(theta_max)/wavelength = 0.4762
RESPONSE: The intensity of the diffraction spots at the high-angle position is 
very weak.
;
_vrf_PLAT029_Complex3            
; 
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.943
RESPONSE:Due to broad reflections, some of them had to be removed 
because of inacceptable disagreements
;
_vrf_PLAT342_Complex3            
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.051 Ang.
RESPONSE:The intensity of the diffraction spots at the high-angle position is 
very weak.
;
_vrf_PLAT910_Complex3            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 11 Note  
RESPONSE:Theta min = 2.998 deg. The theta value of the missing reflections 
are less than 2.998 deg. and therefore reflections 
were excluded.                                       
;
# 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_Complex4
_database_code_depnum_ccdc_archive 'CCDC 1836996'
_audit_update_record             
;
2018-08-16 deposited with the CCDC.
2018-08-22 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            'C159 H227 Ag30 Bi6 Cl2 F48 O51.50 P6'
_chemical_formula_weight         8621.09

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   26.438(2)
_cell_length_b                   19.3816(15)
_cell_length_c                   47.701(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.212(2)
_cell_angle_gamma                90
_cell_volume                     24342(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9688
_cell_measurement_theta_min      2.9472
_cell_measurement_theta_max      28.0627

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.352
_exptl_crystal_F_000             16228
_exptl_transmission_factor_min   0.0069
_exptl_transmission_factor_max   0.0265
_exptl_crystal_size_max          0.086
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.043
_exptl_absorpt_coefficient_mu    6.828
_shelx_estimated_absorpt_T_min   0.591
_shelx_estimated_absorpt_T_max   0.758
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_process_details   'SADABS-2014/2 (Bruker,2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60251
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         2.947
_diffrn_reflns_theta_max         23.013
_diffrn_reflns_theta_full        23.013
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             16825
_reflns_number_gt                13286
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+3055.1331P] 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         16825
_refine_ls_number_parameters     1161
_refine_ls_number_restraints     1292
_refine_ls_R_factor_all          0.1206
_refine_ls_R_factor_gt           0.0995
_refine_ls_wR_factor_ref         0.2231
_refine_ls_wR_factor_gt          0.2105
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.086
_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
Bi1 Bi 0.67174(4) 0.20663(5) 0.03031(2) 0.0555(3) Uani 1 1 d . U . . .
Bi2 Bi 0.80124(4) 0.26532(5) 0.05401(2) 0.0559(3) Uani 1 1 d . U . . .
Bi3 Bi 0.78102(4) 0.11476(5) 0.00606(2) 0.0596(3) Uani 1 1 d . U . . .
Ag1 Ag 0.77469(9) 0.13793(12) 0.16744(5) 0.0770(6) Uani 1 1 d . U . . .
Ag2 Ag 0.75653(8) 0.06770(11) 0.10074(5) 0.0705(6) Uani 1 1 d . U . . .
Ag3 Ag 0.83157(9) 0.19990(13) 0.12389(5) 0.0767(6) Uani 1 1 d . U . . .
Ag4 Ag 0.84541(9) -0.06811(12) 0.10940(5) 0.0782(6) Uani 1 1 d . U . . .
Ag5 Ag 0.87015(9) 0.04835(12) 0.15157(6) 0.0823(7) Uani 1 1 d . U . . .
Ag6 Ag 0.66158(10) 0.08196(13) 0.15520(5) 0.0847(7) Uani 1 1 d . U . . .
Ag7 Ag 0.75224(11) -0.10993(13) 0.20848(5) 0.0888(7) Uani 1 1 d . U . . .
Ag8 Ag 0.73958(10) -0.11008(13) 0.09273(5) 0.0857(7) Uani 1 1 d . U . . .
Ag9 Ag 0.84190(10) -0.09576(13) 0.16993(5) 0.0867(7) Uani 1 1 d . U . . .
Ag10 Ag 0.6184(13) 0.1105(12) 0.0844(4) 0.091(4) Uani 0.32(3) 1 d . U P A 1
Ag1A Ag 0.6394(5) 0.0986(3) 0.0905(2) 0.0785(16) Uani 0.68(3) 1 d . U P A 2
Ag11 Ag 0.77057(11) 0.03736(15) 0.21511(6) 0.1017(8) Uani 1 1 d . U . . .
Ag12 Ag 0.80675(13) -0.04122(13) 0.04162(7) 0.1061(9) Uani 1 1 d . U . . .
Ag13 Ag 0.71928(12) -0.15160(14) 0.14961(6) 0.0991(8) Uani 1 1 d . U . . .
Ag14 Ag 0.6688(3) 0.0052(6) 0.2006(3) 0.099(2) Uani 0.444(19) 1 d . U P A 1
Ag4A Ag 0.6663(3) 0.0294(5) 0.2150(3) 0.097(2) Uani 0.556(19) 1 d . U P A 2
Ag15 Ag 0.64587(11) -0.04172(13) 0.11976(6) 0.0981(8) Uani 1 1 d . U . . .
Cl1 Cl 0.7589(3) -0.0060(4) 0.14821(15) 0.0723(16) Uani 1 1 d . U . . .
P1 P 0.6874(3) 0.0247(4) 0.04165(16) 0.0712(17) Uani 1 1 d . U . . .
P2 P 0.7111(3) 0.2261(3) 0.10311(15) 0.0593(15) Uani 1 1 d . U . . .
P3 P 0.8595(3) 0.1017(4) 0.07091(16) 0.0653(16) Uani 1 1 d . U . . .
F1 F 0.8862(10) -0.1598(13) 0.2238(5) 0.181(10) Uani 1 1 d D U . . .
F2 F 0.9337(8) -0.1315(10) 0.2611(4) 0.133(7) Uani 1 1 d D U . . .
F3 F 0.9501(10) -0.0913(17) 0.2206(5) 0.212(12) Uani 1 1 d D U . . .
F4 F 0.8190(11) 0.1117(17) 0.3079(6) 0.213(12) Uani 1 1 d D U . . .
F5 F 0.8986(10) 0.095(2) 0.3081(8) 0.273(17) Uani 1 1 d D U . . .
F6 F 0.8513(15) 0.0154(18) 0.3223(6) 0.254(14) Uani 1 1 d D U . . .
F7 F 0.9501(11) 0.336(2) 0.1281(8) 0.304(18) Uani 1 1 d D U . . .
F8 F 0.9141(15) 0.4291(16) 0.1465(7) 0.305(19) Uani 1 1 d D U . . .
F9 F 0.8862(16) 0.3229(18) 0.1563(6) 0.271(17) Uani 1 1 d D U . . .
F10 F 0.7521(15) 0.530(2) 0.1001(7) 0.298(18) Uani 1 1 d D U . . .
F11 F 0.8231(14) 0.5657(13) 0.0785(9) 0.285(17) Uani 1 1 d D U . . .
F12 F 0.7539(14) 0.517(2) 0.0514(7) 0.293(17) Uani 1 1 d D U . . .
F13 F 0.9112(15) -0.0871(16) -0.0307(9) 0.294(17) Uani 1 1 d D U . . .
F14 F 0.9517(15) 0.015(2) -0.0203(10) 0.320(19) Uani 1 1 d D U . . .
F15 F 0.9055(18) 0.001(2) -0.0628(7) 0.34(2) Uani 1 1 d D U . . .
O1 O 0.7626(6) 0.2496(8) 0.0936(3) 0.062(3) Uani 1 1 d . U . . .
O2 O 0.6711(6) 0.2121(9) 0.0781(4) 0.065(3) Uani 1 1 d . U . . .
O3 O 0.7181(7) 0.1620(9) 0.1222(4) 0.067(3) Uani 1 1 d . U . . .
O4 O 0.6586(7) 0.0940(9) 0.0418(4) 0.070(3) Uani 1 1 d . U . . .
O5 O 0.7350(8) 0.0301(8) 0.0249(4) 0.071(3) Uani 1 1 d . U . . .
O6 O 0.7015(7) -0.0008(9) 0.0715(4) 0.074(3) Uani 1 1 d . U . . .
O7 O 0.8304(13) -0.0272(13) -0.0059(5) 0.135(7) Uani 1 1 d . U . . .
O8 O 0.8635(10) 0.0737(13) -0.0187(5) 0.124(7) Uani 1 1 d . U . . .
O10 O 0.8490(6) 0.1793(9) 0.0757(4) 0.068(3) Uani 1 1 d . U . . .
O11 O 0.8427(7) 0.0592(9) 0.0951(4) 0.074(3) Uani 1 1 d . U . . .
O12 O 0.8345(7) 0.0768(9) 0.0427(4) 0.072(3) Uani 1 1 d . U . . .
O13 O 0.8329(5) 0.2108(8) 0.0131(3) 0.049(2) Uani 1 1 d . U . . .
O14 O 0.7503(6) 0.1808(7) 0.0371(3) 0.050(3) Uani 1 1 d . U . . .
O15 O 0.8027(5) 0.3476(7) 0.0096(3) 0.050(3) Uani 1 1 d . U . . .
O16 O 0.7806(5) 0.1915(7) -0.0383(3) 0.046(3) Uani 1 1 d . U . . .
O17 O 0.8215(11) 0.0783(14) 0.2539(6) 0.135(7) Uani 1 1 d . U . . .
O18 O 0.8513(9) -0.0287(12) 0.2159(5) 0.102(3) Uani 1 1 d . U . . .
O19 O 0.8587(10) 0.3098(11) 0.0998(5) 0.115(6) Uani 1 1 d D U . . .
O20 O 0.7908(12) 0.4015(10) 0.0677(5) 0.131(6) Uani 1 1 d D U . . .
C1 C 0.6426(12) -0.0376(15) 0.0225(6) 0.078(5) Uani 1 1 d . U . . .
C2 C 0.6309(15) -0.0111(17) -0.0068(7) 0.111(11) Uani 1 1 d . U . . .
H2A H 0.6617 -0.0083 -0.0160 0.167 Uiso 1 1 calc R U . . .
H2B H 0.6076 -0.0419 -0.0171 0.167 Uiso 1 1 calc R U . . .
H2C H 0.6159 0.0339 -0.0062 0.167 Uiso 1 1 calc R U . . .
C3 C 0.5998(14) -0.043(2) 0.0373(8) 0.119(11) Uani 1 1 d . U . . .
H3A H 0.6096 -0.0604 0.0559 0.179 Uiso 1 1 calc R U . . .
H3B H 0.5843 0.0013 0.0386 0.179 Uiso 1 1 calc R U . . .
H3C H 0.5760 -0.0745 0.0277 0.179 Uiso 1 1 calc R U . . .
C4 C 0.6711(14) -0.1062(14) 0.0210(7) 0.098(9) Uani 1 1 d . U . . .
H4A H 0.7002 -0.0997 0.0106 0.147 Uiso 1 1 calc R U . . .
H4B H 0.6819 -0.1217 0.0397 0.147 Uiso 1 1 calc R U . . .
H4C H 0.6490 -0.1400 0.0117 0.147 Uiso 1 1 calc R U . . .
C5 C 0.6891(10) 0.3007(14) 0.1230(6) 0.066(5) Uani 1 1 d . U . . .
C6 C 0.6735(11) 0.3581(13) 0.1038(6) 0.074(7) Uani 1 1 d . U . . .
H6A H 0.6471 0.3426 0.0900 0.111 Uiso 1 1 calc R U . . .
H6B H 0.6610 0.3956 0.1143 0.111 Uiso 1 1 calc R U . . .
H6C H 0.7021 0.3735 0.0944 0.111 Uiso 1 1 calc R U . . .
C7 C 0.6405(11) 0.2725(16) 0.1375(6) 0.082(8) Uani 1 1 d . U . . .
H7A H 0.6506 0.2352 0.1499 0.123 Uiso 1 1 calc R U . . .
H7B H 0.6265 0.3091 0.1479 0.123 Uiso 1 1 calc R U . . .
H7C H 0.6154 0.2565 0.1231 0.123 Uiso 1 1 calc R U . . .
C8 C 0.7300(11) 0.3198(15) 0.1451(6) 0.083(8) Uani 1 1 d . U . . .
H8A H 0.7384 0.2805 0.1569 0.124 Uiso 1 1 calc R U . . .
H8B H 0.7595 0.3345 0.1364 0.124 Uiso 1 1 calc R U . . .
H8C H 0.7184 0.3566 0.1564 0.124 Uiso 1 1 calc R U . . .
C9 C 0.9290(11) 0.0930(16) 0.0697(6) 0.078(5) Uani 1 1 d . U . . .
C10 C 0.9392(10) 0.0189(14) 0.0640(6) 0.075(7) Uani 1 1 d . U . . .
H10A H 0.9222 0.0060 0.0462 0.112 Uiso 1 1 calc R U . . .
H10B H 0.9751 0.0119 0.0637 0.112 Uiso 1 1 calc R U . . .
H10C H 0.9268 -0.0090 0.0786 0.112 Uiso 1 1 calc R U . . .
C11 C 0.9547(11) 0.1151(19) 0.0973(7) 0.099(9) Uani 1 1 d . U . . .
H11A H 0.9475 0.1629 0.1004 0.149 Uiso 1 1 calc R U . . .
H11B H 0.9424 0.0879 0.1121 0.149 Uiso 1 1 calc R U . . .
H11C H 0.9907 0.1088 0.0972 0.149 Uiso 1 1 calc R U . . .
C12 C 0.9451(11) 0.1389(16) 0.0467(7) 0.087(8) Uani 1 1 d . U . . .
H12A H 0.9284 0.1244 0.0289 0.130 Uiso 1 1 calc R U . . .
H12B H 0.9359 0.1858 0.0503 0.130 Uiso 1 1 calc R U . . .
H12C H 0.9812 0.1358 0.0461 0.130 Uiso 1 1 calc R U . . .
C13 C 0.8086(13) -0.1248(15) 0.0749(7) 0.085(3) Uani 1 1 d . U . . .
C14 C 0.8259(12) -0.1567(14) 0.0569(7) 0.082(5) Uani 1 1 d . U . . .
C15 C 0.850(2) -0.208(2) 0.0364(9) 0.135(10) Uani 1 1 d . U . . .
C16 C 0.824(2) -0.206(2) 0.0084(9) 0.170(17) Uani 1 1 d . U . . .
H16A H 0.8243 -0.1602 0.0013 0.255 Uiso 1 1 calc R U . . .
H16B H 0.8418 -0.2362 -0.0036 0.255 Uiso 1 1 calc R U . . .
H16C H 0.7899 -0.2221 0.0089 0.255 Uiso 1 1 calc R U . . .
C17 C 0.902(2) -0.178(3) 0.0302(13) 0.23(2) Uani 1 1 d . U . . .
H17A H 0.9238 -0.1755 0.0473 0.338 Uiso 1 1 calc R U . . .
H17B H 0.9169 -0.2071 0.0170 0.338 Uiso 1 1 calc R U . . .
H17C H 0.8972 -0.1324 0.0224 0.338 Uiso 1 1 calc R U . . .
C18 C 0.851(3) -0.277(2) 0.0489(10) 0.208(19) Uani 1 1 d . U . . .
H18A H 0.8685 -0.2753 0.0675 0.313 Uiso 1 1 calc R U . . .
H18B H 0.8172 -0.2938 0.0500 0.313 Uiso 1 1 calc R U . . .
H18C H 0.8691 -0.3080 0.0375 0.313 Uiso 1 1 calc R U . . .
C19 C 0.9019(11) -0.0530(16) 0.1453(7) 0.084(3) Uani 1 1 d . U . . .
C20 C 0.9435(12) -0.0786(18) 0.1451(7) 0.090(7) Uani 1 1 d . U . . .
C21 C 0.9957(14) -0.1032(18) 0.1432(7) 0.143(10) Uani 1 1 d D U . . .
C22 C 1.0345(14) -0.045(2) 0.1444(10) 0.185(11) Uani 1 1 d D U . . .
H22A H 1.0678 -0.0636 0.1431 0.277 Uiso 1 1 calc R U . . .
H22B H 1.0263 -0.0136 0.1291 0.277 Uiso 1 1 calc R U . . .
H22C H 1.0339 -0.0204 0.1619 0.277 Uiso 1 1 calc R U . . .
C23 C 0.9974(17) -0.142(3) 0.1155(8) 0.23(2) Uani 1 1 d D U . . .
H23A H 1.0313 -0.1584 0.1139 0.351 Uiso 1 1 calc R U . . .
H23B H 0.9745 -0.1804 0.1151 0.351 Uiso 1 1 calc R U . . .
H23C H 0.9875 -0.1115 0.1001 0.351 Uiso 1 1 calc R U . . .
C24 C 1.0088(14) -0.153(2) 0.1677(9) 0.185(11) Uani 1 1 d D U . . .
H24A H 1.0428 -0.1695 0.1669 0.277 Uiso 1 1 calc R U . . .
H24B H 1.0063 -0.1288 0.1851 0.277 Uiso 1 1 calc R U . . .
H24C H 0.9855 -0.1907 0.1663 0.277 Uiso 1 1 calc R U . . .
C25 C 0.7875(13) -0.1734(16) 0.1815(7) 0.094(3) Uani 1 1 d D U . . .
C26 C 0.8045(15) -0.2204(15) 0.1691(7) 0.100(4) Uani 1 1 d D U . . .
C27 C 0.8284(16) -0.2833(18) 0.1560(7) 0.103(7) Uani 1 1 d . U . . .
C28 C 0.8432(18) -0.266(2) 0.1265(8) 0.136(13) Uani 1 1 d . U . . .
H28A H 0.8664 -0.2275 0.1276 0.204 Uiso 1 1 calc R U . . .
H28B H 0.8591 -0.3050 0.1187 0.204 Uiso 1 1 calc R U . . .
H28C H 0.8132 -0.2535 0.1146 0.204 Uiso 1 1 calc R U . . .
C29 C 0.8779(16) -0.300(2) 0.1750(9) 0.145(13) Uani 1 1 d . U . . .
H29A H 0.9013 -0.2623 0.1744 0.217 Uiso 1 1 calc R U . . .
H29B H 0.8699 -0.3073 0.1940 0.217 Uiso 1 1 calc R U . . .
H29C H 0.8931 -0.3412 0.1682 0.217 Uiso 1 1 calc R U . . .
C30 C 0.7921(17) -0.342(2) 0.1569(8) 0.135(12) Uani 1 1 d . U . . .
H30A H 0.8063 -0.3825 0.1488 0.202 Uiso 1 1 calc R U . . .
H30B H 0.7862 -0.3518 0.1761 0.202 Uiso 1 1 calc R U . . .
H30C H 0.7606 -0.3307 0.1464 0.202 Uiso 1 1 calc R U . . .
C31 C 0.7196(14) -0.0508(18) 0.2381(7) 0.104(4) Uani 1 1 d D U . . .
C32 C 0.6978(15) -0.0385(18) 0.2585(7) 0.109(8) Uani 1 1 d D U . . .
C33 C 0.6689(17) -0.038(2) 0.2836(9) 0.135(10) Uani 1 1 d D U . . .
C34 C 0.639(3) -0.100(3) 0.2874(12) 0.23(2) Uani 1 1 d . U . . .
H34A H 0.6215 -0.0953 0.3042 0.351 Uiso 1 1 calc R U . . .
H34B H 0.6144 -0.1059 0.2714 0.351 Uiso 1 1 calc R U . . .
H34C H 0.6608 -0.1395 0.2892 0.351 Uiso 1 1 calc R U . . .
C35 C 0.6385(18) 0.029(2) 0.2834(10) 0.159(16) Uani 1 1 d . U . . .
H35A H 0.6605 0.0672 0.2808 0.238 Uiso 1 1 calc R U . . .
H35B H 0.6119 0.0277 0.2683 0.238 Uiso 1 1 calc R U . . .
H35C H 0.6238 0.0338 0.3010 0.238 Uiso 1 1 calc R U . . .
C36 C 0.711(2) -0.030(3) 0.3074(9) 0.213(19) Uani 1 1 d D U . . .
H36A H 0.7301 0.0109 0.3044 0.319 Uiso 1 1 calc R U . . .
H36B H 0.6962 -0.0264 0.3250 0.319 Uiso 1 1 calc R U . . .
H36C H 0.7330 -0.0695 0.3078 0.319 Uiso 1 1 calc R U . . .
C37 C 0.7040(12) 0.1188(16) 0.1914(7) 0.083(3) Uani 1 1 d . U . . .
C38 C 0.7205(14) 0.1623(17) 0.2069(7) 0.092(4) Uani 1 1 d . U . . .
C39 C 0.7271(16) 0.2238(19) 0.2287(7) 0.104(8) Uani 1 1 d . U . . .
C40 C 0.692(2) 0.282(2) 0.2214(9) 0.153(15) Uani 1 1 d . U . . .
H40A H 0.6576 0.2656 0.2191 0.230 Uiso 1 1 calc R U . . .
H40B H 0.6951 0.3158 0.2363 0.230 Uiso 1 1 calc R U . . .
H40C H 0.7003 0.3033 0.2042 0.230 Uiso 1 1 calc R U . . .
C41 C 0.7130(17) 0.189(2) 0.2572(7) 0.126(12) Uani 1 1 d . U . . .
H41A H 0.7357 0.1511 0.2619 0.189 Uiso 1 1 calc R U . . .
H41B H 0.7162 0.2223 0.2721 0.189 Uiso 1 1 calc R U . . .
H41C H 0.6787 0.1721 0.2548 0.189 Uiso 1 1 calc R U . . .
C42 C 0.7833(16) 0.244(2) 0.2330(7) 0.138(13) Uani 1 1 d . U . . .
H42A H 0.8033 0.2033 0.2375 0.207 Uiso 1 1 calc R U . . .
H42B H 0.7934 0.2640 0.2160 0.207 Uiso 1 1 calc R U . . .
H42C H 0.7883 0.2765 0.2481 0.207 Uiso 1 1 calc R U . . .
C43 C 0.8542(9) 0.1561(16) 0.1645(6) 0.078(3) Uani 1 1 d D U . . .
C44 C 0.8944(9) 0.1535(17) 0.1784(6) 0.085(6) Uani 1 1 d D U . . .
C45 C 0.9462(10) 0.1631(16) 0.1960(6) 0.121(9) Uani 1 1 d D U . . .
C46 C 0.9410(16) 0.2259(19) 0.2150(8) 0.175(17) Uani 1 1 d D U . . .
H46A H 0.9346 0.2663 0.2035 0.263 Uiso 1 1 calc R U . . .
H46B H 0.9134 0.2188 0.2264 0.263 Uiso 1 1 calc R U . . .
H46C H 0.9719 0.2321 0.2269 0.263 Uiso 1 1 calc R U . . .
C47 C 0.9892(13) 0.175(2) 0.1770(8) 0.176(16) Uani 1 1 d D U . . .
H47A H 0.9823 0.2165 0.1661 0.264 Uiso 1 1 calc R U . . .
H47B H 1.0208 0.1803 0.1884 0.264 Uiso 1 1 calc R U . . .
H47C H 0.9913 0.1367 0.1645 0.264 Uiso 1 1 calc R U . . .
C48 C 0.9564(17) 0.0979(18) 0.2134(8) 0.184(18) Uani 1 1 d D U . . .
H48A H 0.9595 0.0593 0.2011 0.276 Uiso 1 1 calc R U . . .
H48B H 0.9874 0.1033 0.2254 0.276 Uiso 1 1 calc R U . . .
H48C H 0.9289 0.0900 0.2248 0.276 Uiso 1 1 calc R U . . .
C49 C 0.6030(12) 0.0504(16) 0.1246(7) 0.084(3) Uani 1 1 d . U . . .
C50 C 0.5629(11) 0.0710(19) 0.1142(8) 0.098(6) Uani 1 1 d D U . . .
C51 C 0.5065(11) 0.085(2) 0.1060(7) 0.165(10) Uani 1 1 d D U . . .
C52 C 0.4773(14) 0.077(2) 0.1322(8) 0.165(10) Uani 1 1 d D U . . .
H52A H 0.4419 0.0854 0.1273 0.248 Uiso 1 1 calc R U . . .
H52B H 0.4818 0.0311 0.1396 0.248 Uiso 1 1 calc R U . . .
H52C H 0.4901 0.1097 0.1462 0.248 Uiso 1 1 calc R U . . .
C53 C 0.4826(18) 0.039(3) 0.0819(9) 0.25(2) Uani 1 1 d D U . . .
H53A H 0.4474 0.0510 0.0781 0.370 Uiso 1 1 calc R U . . .
H53B H 0.4999 0.0471 0.0654 0.370 Uiso 1 1 calc R U . . .
H53C H 0.4857 -0.0083 0.0873 0.370 Uiso 1 1 calc R U . . .
C54 C 0.508(2) 0.160(2) 0.0967(11) 0.26(2) Uani 1 1 d D U . . .
H54A H 0.4742 0.1759 0.0909 0.388 Uiso 1 1 calc R U . . .
H54B H 0.5221 0.1882 0.1122 0.388 Uiso 1 1 calc R U . . .
H54C H 0.5287 0.1647 0.0813 0.388 Uiso 1 1 calc R U . . .
C55 C 0.6686(13) -0.1412(14) 0.1116(7) 0.091(3) Uani 1 1 d D U . . .
C56 C 0.6488(15) -0.1943(16) 0.1039(8) 0.115(8) Uani 1 1 d D U . . .
C57 C 0.6044(14) -0.2439(19) 0.0961(8) 0.187(14) Uani 1 1 d D U . . .
C58 C 0.598(2) -0.257(2) 0.0643(8) 0.23(2) Uani 1 1 d D U . . .
H58A H 0.5874 -0.2152 0.0547 0.351 Uiso 1 1 calc R U . . .
H58B H 0.6297 -0.2720 0.0581 0.351 Uiso 1 1 calc R U . . .
H58C H 0.5727 -0.2920 0.0601 0.351 Uiso 1 1 calc R U . . .
C59 C 0.6212(19) -0.309(2) 0.1127(10) 0.24(2) Uani 1 1 d D U . . .
H59A H 0.6248 -0.2987 0.1325 0.358 Uiso 1 1 calc R U . . .
H59B H 0.5962 -0.3446 0.1090 0.358 Uiso 1 1 calc R U . . .
H59C H 0.6532 -0.3246 0.1070 0.358 Uiso 1 1 calc R U . . .
C60 C 0.5545(19) -0.215(3) 0.1063(13) 0.28(2) Uani 1 1 d D U . . .
H60A H 0.5592 -0.2066 0.1262 0.422 Uiso 1 1 calc R U . . .
H60B H 0.5461 -0.1718 0.0968 0.422 Uiso 1 1 calc R U . . .
H60C H 0.5274 -0.2470 0.1022 0.422 Uiso 1 1 calc R U . . .
C61 C 0.9054(13) 0.3635(14) 0.1359(7) 0.203(13) Uani 1 1 d D U . . .
C62 C 0.8669(15) 0.3665(13) 0.1104(8) 0.163(10) Uani 1 1 d D U . . .
C63 C 0.8445(19) 0.4387(18) 0.1069(10) 0.189(12) Uani 1 1 d D U . . .
H63 H 0.8545 0.4739 0.1195 0.227 Uiso 1 1 calc R U . . .
C64 C 0.8050(15) 0.4514(15) 0.0822(7) 0.177(10) Uani 1 1 d D U . . .
C65 C 0.7815(13) 0.5228(17) 0.0776(6) 0.206(12) Uani 1 1 d D U . . .
C66 C 0.9108(10) -0.1045(15) 0.2367(5) 0.132(8) Uani 1 1 d D U . . .
C67 C 0.8750(14) -0.0432(18) 0.2385(7) 0.111(7) Uani 1 1 d D U . . .
C68 C 0.8793(15) -0.015(2) 0.2684(7) 0.132(10) Uani 1 1 d D U . . .
H68 H 0.9002 -0.0326 0.2833 0.159 Uiso 1 1 calc R U . . .
C69 C 0.8439(16) 0.047(2) 0.2702(7) 0.136(9) Uani 1 1 d D U . . .
C70 C 0.8537(11) 0.0631(17) 0.3013(7) 0.170(11) Uani 1 1 d D U . . .
C71 C 0.9123(14) -0.0185(17) -0.0354(7) 0.202(13) Uani 1 1 d D U . . .
C72 C 0.8655(17) 0.008(2) -0.0221(10) 0.151(9) Uani 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Bi1 O14 2.134(15) . ?
Bi1 O4 2.285(17) . ?
Bi1 O2 2.285(17) . ?
Bi1 O15 2.328(15) 7_655 ?
Bi1 O16 2.355(15) 7_655 ?
Bi1 O13 2.613(14) 7_655 ?
Bi1 Bi3 3.6691(14) . ?
Bi1 Bi2 3.6865(14) . ?
Bi2 O14 2.225(15) . ?
Bi2 O1 2.248(16) . ?
Bi2 O10 2.282(17) . ?
Bi2 O16 2.377(13) 7_655 ?
Bi2 O13 2.433(15) . ?
Bi2 O15 2.654(15) . ?
Bi2 O19 2.69(2) . ?
Bi2 O20 2.74(2) . ?
Bi3 O14 2.168(14) . ?
Bi3 O12 2.268(17) . ?
Bi3 O5 2.278(18) . ?
Bi3 O13 2.318(15) . ?
Bi3 O15 2.385(13) 7_655 ?
Bi3 O16 2.586(14) . ?
Bi3 O8 2.69(2) . ?
Bi3 Ag12 3.503(3) . ?
Ag1 C43 2.15(3) . ?
Ag1 C37 2.31(3) . ?
Ag1 C38 2.51(3) . ?
Ag1 O3 2.557(18) . ?
Ag1 Ag3 2.930(3) . ?
Ag1 Ag11 3.004(4) . ?
Ag1 Ag6 3.185(3) . ?
Ag1 Ag5 3.210(3) . ?
Ag2 O11 2.324(18) . ?
Ag2 O6 2.335(18) . ?
Ag2 O3 2.368(16) . ?
Ag2 Cl1 2.673(8) . ?
Ag2 Ag1A 3.148(14) . ?
Ag2 Ag3 3.365(3) . ?
Ag3 C43 2.15(3) . ?
Ag3 O10 2.417(18) . ?
Ag3 O1 2.420(17) . ?
Ag3 O19 2.55(2) . ?
Ag3 Ag5 3.342(3) . ?
Ag4 C13 2.14(3) . ?
Ag4 C19 2.18(3) . ?
Ag4 O11 2.560(17) . ?
Ag4 Ag9 2.947(3) . ?
Ag4 Ag8 2.953(4) . ?
Ag4 Ag5 3.055(3) . ?
Ag4 Ag12 3.342(4) . ?
Ag5 C19 2.17(3) . ?
Ag5 C43 2.23(3) . ?
Ag5 C44 2.46(3) . ?
Ag5 Ag9 3.041(4) . ?
Ag6 C37 2.10(3) . ?
Ag6 C49 2.12(3) . ?
Ag6 Ag14 2.622(11) . ?
Ag6 Ag15 2.941(4) . ?
Ag6 Ag4A 3.022(10) . ?
Ag6 Ag1A 3.107(11) . ?
Ag7 C25 2.06(3) . ?
Ag7 C31 2.07(3) . ?
Ag7 Ag11 2.908(4) . ?
Ag7 Ag13 2.976(4) . ?
Ag7 Ag14 3.136(11) . ?
Ag7 Ag9 3.141(4) . ?
Ag8 C13 2.10(3) . ?
Ag8 C55 2.24(3) . ?
Ag8 O6 2.517(18) . ?
Ag8 Ag13 2.926(4) . ?
Ag8 Ag15 3.184(4) . ?
Ag9 C25 2.19(3) . ?
Ag9 C19 2.22(3) . ?
Ag9 O18 2.54(2) . ?
Ag9 C26 2.61(3) . ?
Ag9 Cl1 2.915(7) . ?
Ag10 C50 2.26(3) . ?
Ag10 C49 2.31(4) . ?
Ag10 O4 2.40(2) . ?
Ag10 O2 2.45(2) . ?
Ag1A C49 2.18(3) . ?
Ag1A O4 2.42(2) . ?
Ag1A O2 2.445(18) . ?
Ag1A C50 2.46(3) . ?
Ag1A Ag15 3.055(9) . ?
Ag11 O17 2.33(3) . ?
Ag11 O18 2.49(2) . ?
Ag11 C31 2.49(3) . ?
Ag11 C37 2.55(3) . ?
Ag11 Ag4A 2.761(8) . ?
Ag11 Ag14 2.788(10) . ?
Ag12 C13 2.26(3) . ?
Ag12 C14 2.39(3) . ?
Ag12 O12 2.402(18) . ?
Ag12 O7 2.42(3) . ?
Ag12 O5 2.423(18) . ?
Ag13 C55 2.16(3) . ?
Ag13 C25 2.29(4) . ?
Ag13 C26 2.71(4) . ?
Ag13 Ag15 3.135(4) . ?
Ag14 C31 2.39(4) . ?
Ag14 C37 2.45(3) . ?
Ag4A C31 2.31(3) . ?
Ag4A C37 2.34(3) . ?
Ag4A C32 2.53(4) . ?
Ag15 C55 2.07(3) . ?
Ag15 C49 2.14(3) . ?
P1 O6 1.522(19) . ?
P1 O4 1.545(18) . ?
P1 O5 1.55(2) . ?
P1 C1 1.87(3) . ?
P2 O3 1.540(18) . ?
P2 O1 1.543(18) . ?
P2 O2 1.545(19) . ?
P2 C5 1.85(3) . ?
P3 O11 1.516(19) . ?
P3 O12 1.52(2) . ?
P3 O10 1.551(19) . ?
P3 C9 1.85(3) . ?
F1 C66 1.370(19) . ?
F2 C66 1.366(18) . ?
F3 C66 1.370(19) . ?
F4 C70 1.370(19) . ?
F5 C70 1.351(19) . ?
F6 C70 1.368(19) . ?
F7 C61 1.38(2) . ?
F8 C61 1.379(19) . ?
F9 C61 1.38(2) . ?
F10 C65 1.39(2) . ?
F11 C65 1.38(2) . ?
F12 C65 1.39(2) . ?
F13 C71 1.35(2) . ?
F14 C71 1.38(2) . ?
F15 C71 1.36(2) . ?
O7 C72 1.43(5) . ?
O8 C72 1.29(5) . ?
O13 Bi1 2.613(14) 7_655 ?
O15 Bi1 2.328(15) 7_655 ?
O15 Bi3 2.385(13) 7_655 ?
O16 Bi1 2.355(15) 7_655 ?
O16 Bi2 2.377(13) 7_655 ?
O17 C69 1.11(4) . ?
O18 C67 1.23(3) . ?
O19 C62 1.220(18) . ?
O20 C64 1.225(18) . ?
C1 C3 1.39(4) . ?
C1 C2 1.50(4) . ?
C1 C4 1.53(4) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.48(4) . ?
C5 C8 1.49(4) . ?
C5 C7 1.61(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C11 1.49(4) . ?
C9 C10 1.49(4) . ?
C9 C12 1.50(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.18(4) . ?
C14 C15 1.56(5) . ?
C15 C16 1.44(5) . ?
C15 C18 1.47(5) . ?
C15 C17 1.55(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.21(4) . ?
C20 C21 1.47(4) . ?
C21 C24 1.52(2) . ?
C21 C23 1.53(2) . ?
C21 C22 1.53(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.196(10) . ?
C26 C27 1.53(4) . ?
C27 C30 1.50(5) . ?
C27 C28 1.53(4) . ?
C27 C29 1.56(5) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.196(10) . ?
C32 C33 1.48(5) . ?
C33 C34 1.46(6) . ?
C33 C36 1.52(2) . ?
C33 C35 1.53(5) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.18(4) . ?
C38 C39 1.58(5) . ?
C39 C40 1.49(5) . ?
C39 C42 1.53(5) . ?
C39 C41 1.59(4) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.203(10) . ?
C44 C45 1.551(19) . ?
C45 C48 1.523(19) . ?
C45 C46 1.530(19) . ?
C45 C47 1.538(19) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.20(4) . ?
C50 C51 1.531(19) . ?
C51 C53 1.53(2) . ?
C51 C52 1.54(2) . ?
C51 C54 1.54(2) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.195(10) . ?
C56 C57 1.538(19) . ?
C57 C58 1.53(2) . ?
C57 C59 1.54(2) . ?
C57 C60 1.55(2) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.52(2) . ?
C62 C63 1.52(2) . ?
C63 C64 1.52(2) . ?
C63 H63 0.9300 . ?
C64 C65 1.53(2) . ?
C66 C67 1.526(19) . ?
C67 C68 1.523(19) . ?
C68 C69 1.533(19) . ?
C68 H68 0.9300 . ?
C69 C70 1.514(19) . ?
C71 C72 1.53(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
O14 Bi1 O4 84.6(6) . . ?
O14 Bi1 O2 87.5(6) . . ?
O4 Bi1 O2 77.8(6) . . ?
O14 Bi1 O15 70.5(5) . 7_655 ?
O4 Bi1 O15 80.1(6) . 7_655 ?
O2 Bi1 O15 150.0(5) . 7_655 ?
O14 Bi1 O16 70.9(5) . 7_655 ?
O4 Bi1 O16 148.5(6) . 7_655 ?
O2 Bi1 O16 81.5(5) . 7_655 ?
O15 Bi1 O16 108.7(5) 7_655 7_655 ?
O14 Bi1 O13 103.8(5) . 7_655 ?
O4 Bi1 O13 141.1(6) . 7_655 ?
O2 Bi1 O13 139.4(5) . 7_655 ?
O15 Bi1 O13 67.9(5) 7_655 7_655 ?
O16 Bi1 O13 66.5(5) 7_655 7_655 ?
O14 Bi1 Bi3 31.7(4) . . ?
O4 Bi1 Bi3 75.7(4) . . ?
O2 Bi1 Bi3 114.5(4) . . ?
O15 Bi1 Bi3 39.4(3) 7_655 . ?
O16 Bi1 Bi3 91.9(3) 7_655 . ?
O13 Bi1 Bi3 91.7(3) 7_655 . ?
O14 Bi1 Bi2 33.0(4) . . ?
O4 Bi1 Bi2 112.2(4) . . ?
O2 Bi1 Bi2 76.8(4) . . ?
O15 Bi1 Bi2 93.4(3) 7_655 . ?
O16 Bi1 Bi2 39.0(3) 7_655 . ?
O13 Bi1 Bi2 91.7(3) 7_655 . ?
Bi3 Bi1 Bi2 60.69(3) . . ?
O14 Bi2 O1 84.2(6) . . ?
O14 Bi2 O10 85.3(6) . . ?
O1 Bi2 O10 78.1(6) . . ?
O14 Bi2 O16 69.0(5) . 7_655 ?
O1 Bi2 O16 80.9(5) . 7_655 ?
O10 Bi2 O16 148.3(6) . 7_655 ?
O14 Bi2 O13 68.3(5) . . ?
O1 Bi2 O13 146.1(5) . . ?
O10 Bi2 O13 80.2(5) . . ?
O16 Bi2 O13 105.7(5) 7_655 . ?
O14 Bi2 O15 101.8(5) . . ?
O1 Bi2 O15 142.4(5) . . ?
O10 Bi2 O15 138.9(5) . . ?
O16 Bi2 O15 67.4(5) 7_655 . ?
O13 Bi2 O15 65.8(4) . . ?
O14 Bi2 O19 144.1(6) . . ?
O1 Bi2 O19 68.1(7) . . ?
O10 Bi2 O19 67.5(7) . . ?
O16 Bi2 O19 125.0(7) 7_655 . ?
O13 Bi2 O19 125.5(7) . . ?
O15 Bi2 O19 114.1(6) . . ?
O14 Bi2 O20 136.5(7) . . ?
O1 Bi2 O20 82.4(7) . . ?
O10 Bi2 O20 131.2(8) . . ?
O16 Bi2 O20 68.1(7) 7_655 . ?
O13 Bi2 O20 131.2(7) . . ?
O15 Bi2 O20 67.7(6) . . ?
O19 Bi2 O20 63.8(8) . . ?
O14 Bi2 Bi1 31.5(4) . . ?
O1 Bi2 Bi1 74.7(4) . . ?
O10 Bi2 Bi1 112.0(5) . . ?
O16 Bi2 Bi1 38.6(3) 7_655 . ?
O13 Bi2 Bi1 89.9(3) . . ?
O15 Bi2 Bi1 91.2(3) . . ?
O19 Bi2 Bi1 142.1(5) . . ?
O20 Bi2 Bi1 105.1(6) . . ?
O14 Bi3 O12 84.9(6) . . ?
O14 Bi3 O5 84.8(6) . . ?
O12 Bi3 O5 77.3(7) . . ?
O14 Bi3 O13 71.4(5) . . ?
O12 Bi3 O13 80.1(6) . . ?
O5 Bi3 O13 148.4(6) . . ?
O14 Bi3 O15 68.9(5) . 7_655 ?
O12 Bi3 O15 146.8(6) . 7_655 ?
O5 Bi3 O15 80.2(6) . 7_655 ?
O13 Bi3 O15 108.7(5) . 7_655 ?
O14 Bi3 O16 104.2(5) . . ?
O12 Bi3 O16 140.6(6) . . ?
O5 Bi3 O16 140.8(6) . . ?
O13 Bi3 O16 67.4(5) . . ?
O15 Bi3 O16 68.4(5) 7_655 . ?
O14 Bi3 O8 147.3(8) . . ?
O12 Bi3 O8 76.6(7) . . ?
O5 Bi3 O8 116.3(7) . . ?
O13 Bi3 O8 79.0(7) . . ?
O15 Bi3 O8 135.9(7) 7_655 . ?
O16 Bi3 O8 75.8(6) . . ?
O14 Bi3 Ag12 104.3(4) . . ?
O12 Bi3 Ag12 42.9(5) . . ?
O5 Bi3 Ag12 43.4(5) . . ?
O13 Bi3 Ag12 122.4(3) . . ?
O15 Bi3 Ag12 123.4(4) 7_655 . ?
O16 Bi3 Ag12 151.5(3) . . ?
O8 Bi3 Ag12 80.1(5) . . ?
O14 Bi3 Bi1 31.2(4) . . ?
O12 Bi3 Bi1 111.6(5) . . ?
O5 Bi3 Bi1 76.1(5) . . ?
O13 Bi3 Bi1 92.1(4) . . ?
O15 Bi3 Bi1 38.3(4) 7_655 . ?
O16 Bi3 Bi1 91.9(3) . . ?
O8 Bi3 Bi1 166.9(5) . . ?
Ag12 Bi3 Bi1 112.96(6) . . ?
C43 Ag1 C37 154.2(11) . . ?
C43 Ag1 C38 130.3(11) . . ?
C37 Ag1 C38 27.9(10) . . ?
C43 Ag1 O3 114.5(8) . . ?
C37 Ag1 O3 90.5(9) . . ?
C38 Ag1 O3 105.6(9) . . ?
C43 Ag1 Ag3 47.0(7) . . ?
C37 Ag1 Ag3 155.2(8) . . ?
C38 Ag1 Ag3 145.0(8) . . ?
O3 Ag1 Ag3 68.0(4) . . ?
C43 Ag1 Ag11 105.0(8) . . ?
C37 Ag1 Ag11 55.6(8) . . ?
C38 Ag1 Ag11 59.5(8) . . ?
O3 Ag1 Ag11 134.3(4) . . ?
Ag3 Ag1 Ag11 149.17(11) . . ?
C43 Ag1 Ag6 162.1(8) . . ?
C37 Ag1 Ag6 41.1(8) . . ?
C38 Ag1 Ag6 67.1(8) . . ?
O3 Ag1 Ag6 55.9(4) . . ?
Ag3 Ag1 Ag6 122.92(10) . . ?
Ag11 Ag1 Ag6 79.62(9) . . ?
C43 Ag1 Ag5 43.8(8) . . ?
C37 Ag1 Ag5 136.0(8) . . ?
C38 Ag1 Ag5 142.4(8) . . ?
O3 Ag1 Ag5 108.2(4) . . ?
Ag3 Ag1 Ag5 65.75(8) . . ?
Ag11 Ag1 Ag5 84.90(9) . . ?
Ag6 Ag1 Ag5 121.18(10) . . ?
O11 Ag2 O6 117.0(7) . . ?
O11 Ag2 O3 124.7(6) . . ?
O6 Ag2 O3 115.3(6) . . ?
O11 Ag2 Cl1 96.4(5) . . ?
O6 Ag2 Cl1 99.7(5) . . ?
O3 Ag2 Cl1 91.4(5) . . ?
O11 Ag2 Ag1A 163.0(5) . . ?
O6 Ag2 Ag1A 57.6(5) . . ?
O3 Ag2 Ag1A 57.7(5) . . ?
Cl1 Ag2 Ag1A 100.4(2) . . ?
O11 Ag2 Ag3 62.4(5) . . ?
O6 Ag2 Ag3 161.0(5) . . ?
O3 Ag2 Ag3 62.2(4) . . ?
Cl1 Ag2 Ag3 99.25(18) . . ?
Ag1A Ag2 Ag3 116.66(14) . . ?
C43 Ag3 O10 136.9(9) . . ?
C43 Ag3 O1 145.9(8) . . ?
O10 Ag3 O1 72.3(5) . . ?
C43 Ag3 O19 132.0(9) . . ?
O10 Ag3 O19 67.9(7) . . ?
O1 Ag3 O19 68.0(7) . . ?
C43 Ag3 Ag1 47.0(7) . . ?
O10 Ag3 Ag1 139.5(4) . . ?
O1 Ag3 Ag1 100.3(4) . . ?
O19 Ag3 Ag1 147.6(6) . . ?
C43 Ag3 Ag5 41.1(8) . . ?
O10 Ag3 Ag5 98.8(4) . . ?
O1 Ag3 Ag5 140.5(4) . . ?
O19 Ag3 Ag5 145.4(6) . . ?
Ag1 Ag3 Ag5 61.15(8) . . ?
C43 Ag3 Ag2 95.9(8) . . ?
O10 Ag3 Ag2 73.7(4) . . ?
O1 Ag3 Ag2 73.6(4) . . ?
O19 Ag3 Ag2 132.0(5) . . ?
Ag1 Ag3 Ag2 66.13(8) . . ?
Ag5 Ag3 Ag2 67.05(7) . . ?
C13 Ag4 C19 154.4(11) . . ?
C13 Ag4 O11 106.9(9) . . ?
C19 Ag4 O11 94.6(9) . . ?
C13 Ag4 Ag9 127.5(9) . . ?
C19 Ag4 Ag9 48.5(8) . . ?
O11 Ag4 Ag9 115.7(4) . . ?
C13 Ag4 Ag8 45.4(9) . . ?
C19 Ag4 Ag8 144.2(8) . . ?
O11 Ag4 Ag8 101.0(4) . . ?
Ag9 Ag4 Ag8 95.76(10) . . ?
C13 Ag4 Ag5 160.4(8) . . ?
C19 Ag4 Ag5 45.2(8) . . ?
O11 Ag4 Ag5 57.5(4) . . ?
Ag9 Ag4 Ag5 60.86(8) . . ?
Ag8 Ag4 Ag5 121.46(10) . . ?
C13 Ag4 Ag12 42.0(8) . . ?
C19 Ag4 Ag12 149.7(8) . . ?
O11 Ag4 Ag12 66.0(4) . . ?
Ag9 Ag4 Ag12 160.44(12) . . ?
Ag8 Ag4 Ag12 65.38(9) . . ?
Ag5 Ag4 Ag12 123.38(10) . . ?
C19 Ag5 C43 166.7(10) . . ?
C19 Ag5 C44 137.5(10) . . ?
C43 Ag5 C44 29.2(4) . . ?
C19 Ag5 Ag9 46.8(8) . . ?
C43 Ag5 Ag9 136.4(8) . . ?
C44 Ag5 Ag9 132.1(8) . . ?
C19 Ag5 Ag4 45.7(9) . . ?
C43 Ag5 Ag4 147.1(6) . . ?
C44 Ag5 Ag4 170.0(8) . . ?
Ag9 Ag5 Ag4 57.82(8) . . ?
C19 Ag5 Ag1 147.7(8) . . ?
C43 Ag5 Ag1 41.8(7) . . ?
C44 Ag5 Ag1 66.6(6) . . ?
Ag9 Ag5 Ag1 102.12(10) . . ?
Ag4 Ag5 Ag1 115.41(10) . . ?
C19 Ag5 Ag3 148.2(9) . . ?
C43 Ag5 Ag3 39.3(7) . . ?
C44 Ag5 Ag3 62.2(6) . . ?
Ag9 Ag5 Ag3 147.90(10) . . ?
Ag4 Ag5 Ag3 110.49(9) . . ?
Ag1 Ag5 Ag3 53.09(7) . . ?
C37 Ag6 C49 165.5(12) . . ?
C37 Ag6 Ag14 61.3(9) . . ?
C49 Ag6 Ag14 113.5(9) . . ?
C37 Ag6 Ag15 142.0(8) . . ?
C49 Ag6 Ag15 46.6(9) . . ?
Ag14 Ag6 Ag15 90.5(4) . . ?
C37 Ag6 Ag4A 50.6(9) . . ?
C49 Ag6 Ag4A 121.2(8) . . ?
Ag15 Ag6 Ag4A 105.1(3) . . ?
C37 Ag6 Ag1A 145.2(9) . . ?
C49 Ag6 Ag1A 44.4(8) . . ?
Ag15 Ag6 Ag1A 60.59(14) . . ?
Ag4A Ag6 Ag1A 164.0(3) . . ?
C37 Ag6 Ag1 46.3(8) . . ?
C49 Ag6 Ag1 147.1(8) . . ?
Ag14 Ag6 Ag1 92.6(2) . . ?
Ag15 Ag6 Ag1 117.66(11) . . ?
Ag4A Ag6 Ag1 89.10(16) . . ?
Ag1A Ag6 Ag1 103.7(2) . . ?
C25 Ag7 C31 175.6(13) . . ?
C25 Ag7 Ag11 124.9(9) . . ?
C31 Ag7 Ag11 57.1(10) . . ?
C25 Ag7 Ag13 50.1(10) . . ?
C31 Ag7 Ag13 133.7(11) . . ?
Ag11 Ag7 Ag13 113.62(11) . . ?
C25 Ag7 Ag14 134.6(10) . . ?
C31 Ag7 Ag14 49.8(10) . . ?
Ag11 Ag7 Ag14 54.8(2) . . ?
Ag13 Ag7 Ag14 86.4(3) . . ?
C25 Ag7 Ag9 43.9(9) . . ?
C31 Ag7 Ag9 137.4(11) . . ?
Ag11 Ag7 Ag9 81.42(10) . . ?
Ag13 Ag7 Ag9 69.09(9) . . ?
Ag14 Ag7 Ag9 115.4(2) . . ?
C13 Ag8 C55 156.6(11) . . ?
C13 Ag8 O6 106.3(9) . . ?
C55 Ag8 O6 94.0(10) . . ?
C13 Ag8 Ag13 125.3(8) . . ?
C55 Ag8 Ag13 47.3(8) . . ?
O6 Ag8 Ag13 120.3(4) . . ?
C13 Ag8 Ag4 46.4(9) . . ?
C55 Ag8 Ag4 140.8(8) . . ?
O6 Ag8 Ag4 102.2(4) . . ?
Ag13 Ag8 Ag4 94.31(10) . . ?
C13 Ag8 Ag15 163.0(8) . . ?
C55 Ag8 Ag15 40.3(7) . . ?
O6 Ag8 Ag15 61.0(4) . . ?
Ag13 Ag8 Ag15 61.57(9) . . ?
Ag4 Ag8 Ag15 121.97(11) . . ?
C25 Ag9 C19 155.3(12) . . ?
C25 Ag9 O18 98.6(10) . . ?
C19 Ag9 O18 104.3(10) . . ?
C25 Ag9 C26 27.1(5) . . ?
C19 Ag9 C26 128.7(11) . . ?
O18 Ag9 C26 119.6(9) . . ?
C25 Ag9 Cl1 90.5(9) . . ?
C19 Ag9 Cl1 98.0(8) . . ?
O18 Ag9 Cl1 90.7(5) . . ?
C26 Ag9 Cl1 106.0(8) . . ?
C25 Ag9 Ag4 116.9(9) . . ?
C19 Ag9 Ag4 47.5(8) . . ?
O18 Ag9 Ag4 138.0(5) . . ?
C26 Ag9 Ag4 101.5(7) . . ?
Cl1 Ag9 Ag4 68.46(16) . . ?
C25 Ag9 Ag5 152.8(8) . . ?
C19 Ag9 Ag5 45.4(8) . . ?
O18 Ag9 Ag5 76.8(5) . . ?
C26 Ag9 Ag5 161.6(8) . . ?
Cl1 Ag9 Ag5 62.99(16) . . ?
Ag4 Ag9 Ag5 61.33(8) . . ?
C25 Ag9 Ag7 40.9(8) . . ?
C19 Ag9 Ag7 163.1(8) . . ?
O18 Ag9 Ag7 63.9(6) . . ?
C26 Ag9 Ag7 67.9(7) . . ?
Cl1 Ag9 Ag7 71.15(16) . . ?
Ag4 Ag9 Ag7 133.02(11) . . ?
Ag5 Ag9 Ag7 117.85(10) . . ?
C50 Ag10 C49 30.3(10) . . ?
C50 Ag10 O4 148.0(12) . . ?
C49 Ag10 O4 139.5(17) . . ?
C50 Ag10 O2 139.2(13) . . ?
C49 Ag10 O2 130.7(13) . . ?
O4 Ag10 O2 72.7(7) . . ?
C49 Ag1A O4 147.9(10) . . ?
C49 Ag1A O2 138.6(10) . . ?
O4 Ag1A O2 72.3(6) . . ?
C49 Ag1A C50 29.1(11) . . ?
O4 Ag1A C50 133.2(11) . . ?
O2 Ag1A C50 128.2(10) . . ?
C49 Ag1A Ag15 44.4(9) . . ?
O4 Ag1A Ag15 113.5(5) . . ?
O2 Ag1A Ag15 154.8(7) . . ?
C50 Ag1A Ag15 67.1(8) . . ?
C49 Ag1A Ag6 42.9(9) . . ?
O4 Ag1A Ag6 155.7(7) . . ?
O2 Ag1A Ag6 107.1(5) . . ?
C50 Ag1A Ag6 67.0(8) . . ?
Ag15 Ag1A Ag6 57.01(19) . . ?
C49 Ag1A Ag2 107.3(10) . . ?
O4 Ag1A Ag2 81.6(5) . . ?
O2 Ag1A Ag2 81.7(5) . . ?
C50 Ag1A Ag2 136.4(9) . . ?
Ag15 Ag1A Ag2 75.3(3) . . ?
Ag6 Ag1A Ag2 74.4(3) . . ?
O17 Ag11 O18 74.3(9) . . ?
O17 Ag11 C31 100.4(12) . . ?
O18 Ag11 C31 98.0(10) . . ?
O17 Ag11 C37 117.9(10) . . ?
O18 Ag11 C37 151.8(9) . . ?
C31 Ag11 C37 103.9(11) . . ?
O17 Ag11 Ag4A 121.7(8) . . ?
O18 Ag11 Ag4A 145.8(6) . . ?
C31 Ag11 Ag4A 51.8(8) . . ?
C37 Ag11 Ag4A 52.1(7) . . ?
O17 Ag11 Ag14 138.5(9) . . ?
O18 Ag11 Ag14 134.2(7) . . ?
C31 Ag11 Ag14 53.6(9) . . ?
C37 Ag11 Ag14 54.4(8) . . ?
O17 Ag11 Ag7 120.0(7) . . ?
O18 Ag11 Ag7 68.3(6) . . ?
C31 Ag11 Ag7 44.2(7) . . ?
C37 Ag11 Ag7 117.3(8) . . ?
Ag4A Ag11 Ag7 77.8(2) . . ?
Ag14 Ag11 Ag7 66.8(3) . . ?
O17 Ag11 Ag1 108.8(8) . . ?
O18 Ag11 Ag1 104.8(5) . . ?
C31 Ag11 Ag1 146.7(9) . . ?
C37 Ag11 Ag1 48.2(7) . . ?
Ag4A Ag11 Ag1 98.05(17) . . ?
Ag14 Ag11 Ag1 93.4(2) . . ?
Ag7 Ag11 Ag1 124.87(13) . . ?
C13 Ag12 C14 29.3(10) . . ?
C13 Ag12 O12 132.8(10) . . ?
C14 Ag12 O12 145.9(8) . . ?
C13 Ag12 O7 138.2(10) . . ?
C14 Ag12 O7 108.9(10) . . ?
O12 Ag12 O7 78.9(8) . . ?
C13 Ag12 O5 127.2(10) . . ?
C14 Ag12 O5 140.5(9) . . ?
O12 Ag12 O5 72.1(6) . . ?
O7 Ag12 O5 83.7(8) . . ?
C13 Ag12 Ag4 39.2(8) . . ?
C14 Ag12 Ag4 61.4(8) . . ?
O12 Ag12 Ag4 93.6(4) . . ?
O7 Ag12 Ag4 147.2(8) . . ?
O5 Ag12 Ag4 124.6(4) . . ?
C13 Ag12 Bi3 161.3(9) . . ?
C14 Ag12 Bi3 168.8(8) . . ?
O12 Ag12 Bi3 40.0(4) . . ?
O7 Ag12 Bi3 60.3(5) . . ?
O5 Ag12 Bi3 40.3(4) . . ?
Ag4 Ag12 Bi3 129.19(10) . . ?
C55 Ag13 C25 164.5(12) . . ?
C55 Ag13 C26 139.9(11) . . ?
C25 Ag13 C26 26.0(6) . . ?
C55 Ag13 Ag8 49.4(9) . . ?
C25 Ag13 Ag8 117.8(8) . . ?
C26 Ag13 Ag8 103.7(7) . . ?
C55 Ag13 Ag7 150.7(9) . . ?
C25 Ag13 Ag7 43.8(7) . . ?
C26 Ag13 Ag7 69.3(7) . . ?
Ag8 Ag13 Ag7 137.55(13) . . ?
C55 Ag13 Ag15 41.0(8) . . ?
C25 Ag13 Ag15 147.6(8) . . ?
C26 Ag13 Ag15 162.1(7) . . ?
Ag8 Ag13 Ag15 63.27(9) . . ?
Ag7 Ag13 Ag15 111.13(12) . . ?
C31 Ag14 C37 110.2(13) . . ?
C31 Ag14 Ag6 150.1(9) . . ?
C37 Ag14 Ag6 48.7(8) . . ?
C31 Ag14 Ag11 56.9(9) . . ?
C37 Ag14 Ag11 57.9(8) . . ?
Ag6 Ag14 Ag11 94.2(3) . . ?
C31 Ag14 Ag7 41.3(7) . . ?
C37 Ag14 Ag7 112.7(8) . . ?
Ag6 Ag14 Ag7 120.0(5) . . ?
Ag11 Ag14 Ag7 58.44(19) . . ?
C31 Ag4A C37 117.4(12) . . ?
C31 Ag4A C32 28.1(4) . . ?
C37 Ag4A C32 131.0(13) . . ?
C31 Ag4A Ag11 58.1(9) . . ?
C37 Ag4A Ag11 59.3(8) . . ?
C32 Ag4A Ag11 76.9(9) . . ?
C31 Ag4A Ag6 130.4(9) . . ?
C37 Ag4A Ag6 43.8(8) . . ?
C32 Ag4A Ag6 158.5(8) . . ?
Ag11 Ag4A Ag6 86.4(3) . . ?
C55 Ag15 C49 164.8(12) . . ?
C55 Ag15 Ag6 147.2(9) . . ?
C49 Ag15 Ag6 46.0(9) . . ?
C55 Ag15 Ag1A 138.5(9) . . ?
C49 Ag15 Ag1A 45.5(8) . . ?
Ag6 Ag15 Ag1A 62.40(19) . . ?
C55 Ag15 Ag13 43.4(9) . . ?
C49 Ag15 Ag13 146.1(9) . . ?
Ag6 Ag15 Ag13 104.08(11) . . ?
Ag1A Ag15 Ag13 145.0(3) . . ?
C55 Ag15 Ag8 44.4(9) . . ?
C49 Ag15 Ag8 146.2(8) . . ?
Ag6 Ag15 Ag8 119.84(11) . . ?
Ag1A Ag15 Ag8 101.44(18) . . ?
Ag13 Ag15 Ag8 55.16(8) . . ?
Ag2 Cl1 Ag9 125.4(3) . . ?
O6 P1 O4 110.9(11) . . ?
O6 P1 O5 111.2(11) . . ?
O4 P1 O5 111.5(10) . . ?
O6 P1 C1 109.7(13) . . ?
O4 P1 C1 105.8(12) . . ?
O5 P1 C1 107.4(12) . . ?
O3 P2 O1 110.6(10) . . ?
O3 P2 O2 110.5(10) . . ?
O1 P2 O2 112.8(10) . . ?
O3 P2 C5 110.7(11) . . ?
O1 P2 C5 104.3(11) . . ?
O2 P2 C5 107.8(11) . . ?
O11 P3 O12 111.6(11) . . ?
O11 P3 O10 110.2(10) . . ?
O12 P3 O10 111.7(10) . . ?
O11 P3 C9 109.5(12) . . ?
O12 P3 C9 107.2(12) . . ?
O10 P3 C9 106.5(12) . . ?
P2 O1 Bi2 140.1(10) . . ?
P2 O1 Ag3 110.1(9) . . ?
Bi2 O1 Ag3 100.4(6) . . ?
P2 O2 Bi1 135.3(10) . . ?
P2 O2 Ag1A 101.4(9) . . ?
Bi1 O2 Ag1A 103.4(7) . . ?
P2 O2 Ag10 113.9(12) . . ?
Bi1 O2 Ag10 98.1(7) . . ?
P2 O3 Ag2 113.6(9) . . ?
P2 O3 Ag1 132.4(10) . . ?
Ag2 O3 Ag1 89.0(5) . . ?
P1 O4 Bi1 138.0(11) . . ?
P1 O4 Ag10 112.1(13) . . ?
Bi1 O4 Ag10 99.5(8) . . ?
P1 O4 Ag1A 100.5(10) . . ?
Bi1 O4 Ag1A 104.2(7) . . ?
P1 O5 Bi3 137.6(10) . . ?
P1 O5 Ag12 116.1(9) . . ?
Bi3 O5 Ag12 96.3(7) . . ?
P1 O6 Ag2 117.4(10) . . ?
P1 O6 Ag8 134.8(10) . . ?
Ag2 O6 Ag8 91.9(6) . . ?
C72 O7 Ag12 143(3) . . ?
C72 O8 Bi3 113(2) . . ?
P3 O10 Bi2 137.8(11) . . ?
P3 O10 Ag3 110.7(9) . . ?
Bi2 O10 Ag3 99.5(6) . . ?
P3 O11 Ag2 114.0(10) . . ?
P3 O11 Ag4 136.3(10) . . ?
Ag2 O11 Ag4 92.4(6) . . ?
P3 O12 Bi3 140.2(10) . . ?
P3 O12 Ag12 115.3(9) . . ?
Bi3 O12 Ag12 97.1(7) . . ?
Bi3 O13 Bi2 102.9(5) . . ?
Bi3 O13 Bi1 113.1(6) . 7_655 ?
Bi2 O13 Bi1 112.0(6) . 7_655 ?
Bi1 O14 Bi3 117.1(7) . . ?
Bi1 O14 Bi2 115.5(6) . . ?
Bi3 O14 Bi2 115.5(6) . . ?
Bi1 O15 Bi3 102.2(6) 7_655 7_655 ?
Bi1 O15 Bi2 114.1(5) 7_655 . ?
Bi3 O15 Bi2 110.7(5) 7_655 . ?
Bi1 O16 Bi2 102.4(5) 7_655 7_655 ?
Bi1 O16 Bi3 112.8(5) 7_655 . ?
Bi2 O16 Bi3 113.4(6) 7_655 . ?
C69 O17 Ag11 127(3) . . ?
C67 O18 Ag11 120(2) . . ?
C67 O18 Ag9 130(2) . . ?
Ag11 O18 Ag9 103.5(8) . . ?
C62 O19 Ag3 128(2) . . ?
C62 O19 Bi2 134(3) . . ?
Ag3 O19 Bi2 86.4(6) . . ?
C64 O20 Bi2 149(3) . . ?
C3 C1 C2 113(3) . . ?
C3 C1 C4 113(3) . . ?
C2 C1 C4 108(3) . . ?
C3 C1 P1 108(2) . . ?
C2 C1 P1 108(2) . . ?
C4 C1 P1 107(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C8 113(3) . . ?
C6 C5 C7 109(2) . . ?
C8 C5 C7 110(2) . . ?
C6 C5 P2 110.7(18) . . ?
C8 C5 P2 108.4(18) . . ?
C7 C5 P2 104.8(19) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 111(3) . . ?
C11 C9 C12 110(3) . . ?
C10 C9 C12 112(2) . . ?
C11 C9 P3 109(2) . . ?
C10 C9 P3 107(2) . . ?
C12 C9 P3 108(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Ag8 141(3) . . ?
C14 C13 Ag4 130(3) . . ?
Ag8 C13 Ag4 88.2(13) . . ?
C14 C13 Ag12 81(2) . . ?
Ag8 C13 Ag12 102.9(12) . . ?
Ag4 C13 Ag12 98.7(12) . . ?
C13 C14 C15 171(3) . . ?
C13 C14 Ag12 69.3(19) . . ?
C15 C14 Ag12 119(2) . . ?
C16 C15 C18 113(4) . . ?
C16 C15 C17 99(5) . . ?
C18 C15 C17 115(5) . . ?
C16 C15 C14 113(4) . . ?
C18 C15 C14 109(4) . . ?
C17 C15 C14 107(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 Ag5 137(3) . . ?
C20 C19 Ag4 120(3) . . ?
Ag5 C19 Ag4 89.1(11) . . ?
C20 C19 Ag9 123(3) . . ?
Ag5 C19 Ag9 87.8(11) . . ?
Ag4 C19 Ag9 84.0(11) . . ?
C19 C20 C21 174(4) . . ?
C20 C21 C24 108(3) . . ?
C20 C21 C23 108(3) . . ?
C24 C21 C23 109(2) . . ?
C20 C21 C22 113(3) . . ?
C24 C21 C22 109(2) . . ?
C23 C21 C22 109(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Ag7 167(3) . . ?
C26 C25 Ag9 97(3) . . ?
Ag7 C25 Ag9 95.3(13) . . ?
C26 C25 Ag13 97(3) . . ?
Ag7 C25 Ag13 86.1(12) . . ?
Ag9 C25 Ag13 101.7(12) . . ?
C25 C26 C27 175(4) . . ?
C25 C26 Ag9 56(2) . . ?
C27 C26 Ag9 125(2) . . ?
C25 C26 Ag13 57(2) . . ?
C27 C26 Ag13 128(3) . . ?
Ag9 C26 Ag13 81.5(8) . . ?
C30 C27 C26 108(3) . . ?
C30 C27 C28 114(3) . . ?
C26 C27 C28 110(3) . . ?
C30 C27 C29 109(3) . . ?
C26 C27 C29 107(3) . . ?
C28 C27 C29 108(3) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Ag7 158(3) . . ?
C32 C31 Ag4A 86(3) . . ?
Ag7 C31 Ag4A 108.8(14) . . ?
C32 C31 Ag14 104(3) . . ?
Ag7 C31 Ag14 89.0(13) . . ?
C32 C31 Ag11 123(3) . . ?
Ag7 C31 Ag11 78.6(10) . . ?
Ag4A C31 Ag11 70.1(9) . . ?
Ag14 C31 Ag11 69.6(9) . . ?
C31 C32 C33 169(4) . . ?
C31 C32 Ag4A 66(2) . . ?
C33 C32 Ag4A 120(3) . . ?
C34 C33 C32 115(4) . . ?
C34 C33 C36 111(5) . . ?
C32 C33 C36 102(4) . . ?
C34 C33 C35 114(4) . . ?
C32 C33 C35 108(3) . . ?
C36 C33 C35 105(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Ag6 154(3) . . ?
C38 C37 Ag1 86(2) . . ?
Ag6 C37 Ag1 92.6(11) . . ?
C38 C37 Ag4A 112(3) . . ?
Ag6 C37 Ag4A 85.7(12) . . ?
Ag1 C37 Ag4A 139.3(14) . . ?
C38 C37 Ag14 131(3) . . ?
Ag6 C37 Ag14 70.0(11) . . ?
Ag1 C37 Ag14 124.9(14) . . ?
C38 C37 Ag11 88(3) . . ?
Ag6 C37 Ag11 116.8(13) . . ?
Ag1 C37 Ag11 76.2(9) . . ?
Ag4A C37 Ag11 68.6(8) . . ?
Ag14 C37 Ag11 67.7(8) . . ?
C37 C38 C39 165(4) . . ?
C37 C38 Ag1 66(2) . . ?
C39 C38 Ag1 127(2) . . ?
C40 C39 C42 115(4) . . ?
C40 C39 C38 113(3) . . ?
C42 C39 C38 109(3) . . ?
C40 C39 C41 109(3) . . ?
C42 C39 C41 107(3) . . ?
C38 C39 C41 103(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 Ag3 132(3) . . ?
C44 C43 Ag1 141(3) . . ?
Ag3 C43 Ag1 86.0(8) . . ?
C44 C43 Ag5 86(2) . . ?
Ag3 C43 Ag5 99.6(11) . . ?
Ag1 C43 Ag5 94.4(11) . . ?
C43 C44 C45 171(3) . . ?
C43 C44 Ag5 65(2) . . ?
C45 C44 Ag5 124(2) . . ?
C48 C45 C46 111.1(17) . . ?
C48 C45 C47 110.2(17) . . ?
C46 C45 C47 109.7(17) . . ?
C48 C45 C44 108(3) . . ?
C46 C45 C44 107(3) . . ?
C47 C45 C44 111(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 Ag6 139(3) . . ?
C50 C49 Ag15 134(3) . . ?
Ag6 C49 Ag15 87.4(13) . . ?
C50 C49 Ag1A 89(2) . . ?
Ag6 C49 Ag1A 92.6(12) . . ?
Ag15 C49 Ag1A 90.1(12) . . ?
C50 C49 Ag10 73(2) . . ?
Ag6 C49 Ag10 104.7(14) . . ?
Ag15 C49 Ag10 101.3(15) . . ?
C49 C50 C51 166(4) . . ?
C49 C50 Ag10 77(2) . . ?
C51 C50 Ag10 117(2) . . ?
C49 C50 Ag1A 62(2) . . ?
C51 C50 Ag1A 132(2) . . ?
C50 C51 C53 115(3) . . ?
C50 C51 C52 109(3) . . ?
C53 C51 C52 110.7(19) . . ?
C50 C51 C54 101(3) . . ?
C53 C51 C54 111(2) . . ?
C52 C51 C54 110.7(19) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Ag15 137(3) . . ?
C56 C55 Ag13 113(3) . . ?
Ag15 C55 Ag13 95.6(11) . . ?
C56 C55 Ag8 118(3) . . ?
Ag15 C55 Ag8 95.3(10) . . ?
Ag13 C55 Ag8 83.3(12) . . ?
C55 C56 C57 156(4) . . ?
C58 C57 C59 112.1(19) . . ?
C58 C57 C56 111(3) . . ?
C59 C57 C56 102(3) . . ?
C58 C57 C60 110.5(19) . . ?
C59 C57 C60 110.7(19) . . ?
C56 C57 C60 110(4) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
F7 C61 F8 110(2) . . ?
F7 C61 F9 110(2) . . ?
F8 C61 F9 109(2) . . ?
F7 C61 C62 109(2) . . ?
F8 C61 C62 110(2) . . ?
F9 C61 C62 109(2) . . ?
O19 C62 C61 112(3) . . ?
O19 C62 C63 137(4) . . ?
C61 C62 C63 110(2) . . ?
C62 C63 C64 118(3) . . ?
C62 C63 H63 121.2 . . ?
C64 C63 H63 121.2 . . ?
O20 C64 C63 118(4) . . ?
O20 C64 C65 122(3) . . ?
C63 C64 C65 120(2) . . ?
F11 C65 F10 114.7(18) . . ?
F11 C65 F12 115(2) . . ?
F10 C65 F12 115(2) . . ?
F11 C65 C64 103(2) . . ?
F10 C65 C64 103(2) . . ?
F12 C65 C64 103(2) . . ?
F2 C66 F1 103.6(19) . . ?
F2 C66 F3 104.4(19) . . ?
F1 C66 F3 104(2) . . ?
F2 C66 C67 119(2) . . ?
F1 C66 C67 111(2) . . ?
F3 C66 C67 113(3) . . ?
O18 C67 C68 137(3) . . ?
O18 C67 C66 113(3) . . ?
C68 C67 C66 110(3) . . ?
C67 C68 C69 110(3) . . ?
C67 C68 H68 124.9 . . ?
C69 C68 H68 124.9 . . ?
O17 C69 C70 128(3) . . ?
O17 C69 C68 132(3) . . ?
C70 C69 C68 99(3) . . ?
F5 C70 F6 103(2) . . ?
F5 C70 F4 103(2) . . ?
F6 C70 F4 103(2) . . ?
F5 C70 C69 113(3) . . ?
F6 C70 C69 125(3) . . ?
F4 C70 C69 108(3) . . ?
F13 C71 F15 115(2) . . ?
F13 C71 F14 114(2) . . ?
F15 C71 F14 113(2) . . ?
F13 C71 C72 103(3) . . ?
F15 C71 C72 106(3) . . ?
F14 C71 C72 103(4) . . ?
O8 C72 O7 112(3) . . ?
O8 C72 C71 115(4) . . ?
O7 C72 C71 131(4) . . ?

_refine_diff_density_max         2.559
_refine_diff_density_min         -1.701
_refine_diff_density_rms         0.239


# start Validation Reply Form
_vrf_THETM01_Complex4            
;
PROBLEM:The value of sine(theta_max)/wavelength is less than 0.575
Calculated sin(theta_max)/wavelength =    0.5501
RESPONSE:The intensity of the diffraction spots at the high-angle position is 
very weak.
;
_vrf_PLAT342_Complex4            
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............    0.05138 Ang. 
RESPONSE:The intensity of the diffraction spots at the high-angle position is 
very weak.
;
_vrf_PLAT364_Complex4            
;
PROBLEM: Short  C(sp3)-C(sp)  Bond  C25      - C26      .       1.20 Ang. 
Short  C(sp3)-C(sp)  Bond  C43      - C44      .       1.20 Ang.  
RESPONSE: Bond lengths of 1.20 Ang.  for C(sp)-C(sp)  Bond  C25      - C26 and 
C(sp)-C(sp)  Bond  C43      - C44 are within a reasonable bond range.
;
_vrf_PLAT910_Complex4            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         38 Note
RESPONSE:Theta min = 2.947 deg. The theta value of the missing reflections 
are less than 2.947 deg. and therefore reflections were excluded.                                       
;
_vrf_PLAT973_Complex4            
;
PROBLEM: Check Calcd Positive Resid. Density on       Bi2       1.75 eA-3  
RESPONSE:Residual electron density is close to Bi and of no chemical
significance, and is present depsite applying the correct absorption 
correction.
;
# end Validation Reply Form
