# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_KK301_0m
_database_code_depnum_ccdc_archive 'CCDC 1575450'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C228.50 H271 P4 Pd2 Sn4'
_chemical_formula_weight         3828.88

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           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                   30.3699(12)
_cell_length_b                   23.0190(9)
_cell_length_c                   31.7092(12)
_cell_angle_alpha                90
_cell_angle_beta                 118.378(2)
_cell_angle_gamma                90
_cell_volume                     19503.6(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9792
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      27.12

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_F_000             7976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.329
_exptl_crystal_size_min          0.281
_exptl_absorpt_coefficient_mu    0.771
_shelx_estimated_absorpt_T_min   0.725
_shelx_estimated_absorpt_T_max   0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6644
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            316738
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.287
_diffrn_reflns_theta_max         27.152
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             43063
_reflns_number_gt                33794
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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)+(0.0077P)²+111.7844P] 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         43063
_refine_ls_number_parameters     2209
_refine_ls_number_restraints     189
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1157
_refine_ls_wR_factor_gt          0.0977
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.015
_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
Pd1 Pd 0.26335(2) 0.69663(2) 0.60831(2) 0.01768(6) Uani 1 1 d . . . . .
C1 C 0.26085(15) 0.67110(18) 0.71940(13) 0.0226(8) Uani 1 1 d . . . . .
Sn1 Sn 0.30188(2) 0.73019(2) 0.69552(2) 0.01904(6) Uani 1 1 d . . . . .
P1 P 0.20123(4) 0.65414(4) 0.62042(3) 0.0208(2) Uani 1 1 d . . . . .
Pd2 Pd 0.23827(2) 0.20209(2) 0.39464(2) 0.01848(6) Uani 1 1 d . . . . .
C2 C 0.27160(16) 0.66323(19) 0.76724(14) 0.0258(8) Uani 1 1 d . . . . .
H2 H 0.2988 0.6840 0.7917 0.031 Uiso 1 1 calc R U . . .
Sn2 Sn 0.22719(2) 0.72476(2) 0.51988(2) 0.01921(6) Uani 1 1 d . . . . .
P2 P 0.31801(4) 0.63635(4) 0.59764(3) 0.0200(2) Uani 1 1 d . . . . .
Sn3 Sn 0.20991(2) 0.23526(2) 0.45516(2) 0.02002(6) Uani 1 1 d . . . . .
C3 C 0.24393(17) 0.6263(2) 0.77984(14) 0.0299(9) Uani 1 1 d . . . . .
H3 H 0.2528 0.6209 0.8126 0.036 Uiso 1 1 calc R U . . .
P3 P 0.29034(4) 0.13915(4) 0.45553(3) 0.01994(19) Uani 1 1 d . . . . .
Sn4 Sn 0.26727(2) 0.24858(2) 0.33745(2) 0.02051(6) Uani 1 1 d . . . . .
C4 C 0.20299(18) 0.5971(2) 0.74439(16) 0.0332(10) Uani 1 1 d . . . . .
H4 H 0.1836 0.5719 0.7527 0.040 Uiso 1 1 calc R U . . .
P4 P 0.18108(4) 0.15200(5) 0.32683(3) 0.0228(2) Uani 1 1 d . . . . .
C222 C 0.0707(4) 0.5984(6) 0.6864(4) 0.119(3) Uani 1 1 d . U . . .
H222 H 0.0820 0.6300 0.6748 0.143 Uiso 1 1 calc R U . . .
C221 C 0.0661(3) 0.5395(5) 0.6633(5) 0.115(3) Uani 1 1 d . U . . .
H221 H 0.0703 0.5306 0.6362 0.138 Uiso 1 1 calc R U . . .
C220 C 0.0548(4) 0.5026(5) 0.6896(3) 0.106(3) Uani 1 1 d . U . . .
H220 H 0.0577 0.4622 0.6853 0.127 Uiso 1 1 calc R U . . .
C219 C 0.0396(3) 0.5185(6) 0.7214(4) 0.119(3) Uani 1 1 d . U . . .
H219 H 0.0246 0.4888 0.7310 0.142 Uiso 1 1 calc R U . . .
C218 C 0.0430(4) 0.5724(6) 0.7421(4) 0.118(3) Uani 1 1 d . U . . .
H218 H 0.0341 0.5799 0.7666 0.141 Uiso 1 1 calc R U . . .
C217 C 0.0593(3) 0.6099(5) 0.7246(3) 0.097(3) Uani 1 1 d . U . . .
H217 H 0.0643 0.6482 0.7372 0.116 Uiso 1 1 calc R U . . .
C216 C 0.38856(18) 0.1195(2) 0.53020(16) 0.0361(10) Uani 1 1 d . . . . .
H216 H 0.3827 0.0795 0.5221 0.043 Uiso 1 1 calc R U . . .
C215 C 0.4319(2) 0.1363(3) 0.57075(17) 0.0477(14) Uani 1 1 d . . . . .
H215 H 0.4554 0.1078 0.5903 0.057 Uiso 1 1 calc R U . . .
C214 C 0.4409(2) 0.1942(3) 0.58259(18) 0.0510(16) Uani 1 1 d . . . . .
H214 H 0.4701 0.2057 0.6108 0.061 Uiso 1 1 calc R U . . .
C213 C 0.4076(2) 0.2350(3) 0.5536(2) 0.0531(16) Uani 1 1 d . . . . .
H213 H 0.4143 0.2751 0.5612 0.064 Uiso 1 1 calc R U . . .
C212 C 0.36392(18) 0.2185(2) 0.51314(19) 0.0388(11) Uani 1 1 d . . . . .
H212 H 0.3410 0.2474 0.4935 0.047 Uiso 1 1 calc R U . . .
C211 C 0.35345(15) 0.16088(18) 0.50119(14) 0.0240(8) Uani 1 1 d . . . . .
C210 C 0.33449(17) 0.06889(19) 0.41552(16) 0.0297(9) Uani 1 1 d . . . . .
H210 H 0.3504 0.1038 0.4141 0.036 Uiso 1 1 calc R U . . .
C209 C 0.34400(19) 0.0177(2) 0.39823(17) 0.0361(11) Uani 1 1 d . . . . .
H209 H 0.3664 0.0177 0.3852 0.043 Uiso 1 1 calc R U . . .
C208 C 0.32092(18) -0.03346(19) 0.39998(16) 0.0326(10) Uani 1 1 d . . . . .
H208 H 0.3280 -0.0687 0.3887 0.039 Uiso 1 1 calc R U . . .
C207 C 0.28769(17) -0.03314(18) 0.41810(15) 0.0288(9) Uani 1 1 d . . . . .
H207 H 0.2715 -0.0681 0.4189 0.035 Uiso 1 1 calc R U . . .
C206 C 0.27772(17) 0.01803(18) 0.43519(15) 0.0270(9) Uani 1 1 d . . . . .
H206 H 0.2543 0.0179 0.4471 0.032 Uiso 1 1 calc R U . . .
C205 C 0.30164(15) 0.06959(17) 0.43501(13) 0.0218(8) Uani 1 1 d . . . . .
C204 C 0.08359(18) 0.1588(3) 0.24639(17) 0.0422(12) Uani 1 1 d . . . . .
H204 H 0.0867 0.1185 0.2420 0.051 Uiso 1 1 calc R U . . .
C203 C 0.04186(18) 0.1889(3) 0.21353(18) 0.0526(16) Uani 1 1 d . . . . .
H203 H 0.0169 0.1692 0.1864 0.063 Uiso 1 1 calc R U . . .
C202 C 0.0362(2) 0.2467(3) 0.21966(18) 0.0527(16) Uani 1 1 d . . . . .
H202 H 0.0074 0.2669 0.1968 0.063 Uiso 1 1 calc R U . . .
C201 C 0.0723(2) 0.2759(3) 0.25925(19) 0.0481(13) Uani 1 1 d . . . . .
H201 H 0.0683 0.3159 0.2638 0.058 Uiso 1 1 calc R U . . .
C200 C 0.11472(18) 0.2460(2) 0.29234(17) 0.0361(10) Uani 1 1 d . . . . .
H200 H 0.1394 0.2660 0.3195 0.043 Uiso 1 1 calc R U . . .
C199 C 0.12127(16) 0.1876(2) 0.28612(14) 0.0291(9) Uani 1 1 d . . . . .
C198 C 0.1797(2) 0.0287(2) 0.33238(16) 0.0393(11) Uani 1 1 d . . . . .
H198 H 0.2068 0.0284 0.3253 0.047 Uiso 1 1 calc R U . . .
C197 C 0.1613(2) -0.0237(2) 0.33958(19) 0.0498(15) Uani 1 1 d . . . . .
H197 H 0.1748 -0.0595 0.3362 0.060 Uiso 1 1 calc R U . . .
C196 C 0.1232(3) -0.0233(3) 0.3516(2) 0.065(2) Uani 1 1 d . . . . .
H196 H 0.1101 -0.0589 0.3560 0.078 Uiso 1 1 calc R U . . .
C195 C 0.1039(3) 0.0286(3) 0.3574(3) 0.074(2) Uani 1 1 d . . . . .
H195 H 0.0788 0.0286 0.3671 0.089 Uiso 1 1 calc R U . . .
C194 C 0.1212(3) 0.0809(3) 0.3490(2) 0.0572(17) Uani 1 1 d . . . . .
H194 H 0.1074 0.1165 0.3524 0.069 Uiso 1 1 calc R U . . .
C193 C 0.15892(19) 0.0814(2) 0.33545(15) 0.0346(11) Uani 1 1 d . . . . .
C192 C 0.0969(2) 0.6701(3) 0.5902(2) 0.0508(14) Uani 1 1 d . . . . .
H192 H 0.0920 0.6301 0.5818 0.061 Uiso 1 1 calc R U . . .
C191 C 0.0569(2) 0.7041(4) 0.5867(2) 0.067(2) Uani 1 1 d . . . . .
H191 H 0.0250 0.6867 0.5762 0.081 Uiso 1 1 calc R U . . .
C190 C 0.0633(3) 0.7616(4) 0.5981(2) 0.074(2) Uani 1 1 d . . . . .
H190 H 0.0360 0.7842 0.5954 0.088 Uiso 1 1 calc R U . . .
C189 C 0.1090(3) 0.7863(4) 0.6133(2) 0.075(2) Uani 1 1 d . . . . .
H189 H 0.1135 0.8264 0.6214 0.090 Uiso 1 1 calc R U . . .
C188 C 0.1488(2) 0.7537(3) 0.61701(18) 0.0516(15) Uani 1 1 d . . . . .
H188 H 0.1804 0.7718 0.6273 0.062 Uiso 1 1 calc R U . . .
C187 C 0.14365(16) 0.6950(2) 0.60605(14) 0.0331(10) Uani 1 1 d . . . . .
C186 C 0.14420(18) 0.5825(2) 0.54243(15) 0.0341(10) Uani 1 1 d . . . . .
H186 H 0.1342 0.6176 0.5246 0.041 Uiso 1 1 calc R U . . .
C185 C 0.1254(2) 0.5297(2) 0.51969(16) 0.0396(12) Uani 1 1 d . . . . .
H185 H 0.1021 0.5291 0.4864 0.048 Uiso 1 1 calc R U . . .
C184 C 0.14010(17) 0.47807(19) 0.54478(16) 0.0316(10) Uani 1 1 d . . . . .
H184 H 0.1264 0.4422 0.5292 0.038 Uiso 1 1 calc R U . . .
C183 C 0.17504(17) 0.47911(19) 0.59302(15) 0.0297(9) Uani 1 1 d . . . . .
H183 H 0.1860 0.4438 0.6104 0.036 Uiso 1 1 calc R U . . .
C182 C 0.19392(16) 0.53174(19) 0.61581(14) 0.0273(9) Uani 1 1 d . . . . .
H182 H 0.2184 0.5319 0.6487 0.033 Uiso 1 1 calc R U . . .
C181 C 0.17787(15) 0.58419(18) 0.59170(14) 0.0247(8) Uani 1 1 d . . . . .
C180 C 0.42357(17) 0.6209(2) 0.63308(16) 0.0328(10) Uani 1 1 d . . . . .
H180 H 0.4205 0.5841 0.6450 0.039 Uiso 1 1 calc R U . . .
C179 C 0.46942(18) 0.6377(2) 0.63672(18) 0.0389(11) Uani 1 1 d . . . . .
H179 H 0.4975 0.6124 0.6513 0.047 Uiso 1 1 calc R U . . .
C178 C 0.47410(18) 0.6907(2) 0.61913(16) 0.0361(10) Uani 1 1 d . . . . .
H178 H 0.5051 0.7018 0.6209 0.043 Uiso 1 1 calc R U . . .
C177 C 0.43338(19) 0.7277(2) 0.59885(17) 0.0372(11) Uani 1 1 d . . . . .
H177 H 0.4364 0.7644 0.5868 0.045 Uiso 1 1 calc R U . . .
C176 C 0.38813(17) 0.71148(19) 0.59604(15) 0.0302(9) Uani 1 1 d . . . . .
H176 H 0.3607 0.7377 0.5828 0.036 Uiso 1 1 calc R U . . .
C175 C 0.38244(16) 0.65739(18) 0.61226(13) 0.0240(8) Uani 1 1 d . . . . .
C174 C 0.35558(16) 0.55973(18) 0.67563(14) 0.0261(9) Uani 1 1 d . . . . .
H174 H 0.3735 0.5924 0.6942 0.031 Uiso 1 1 calc R U . . .
C173 C 0.35975(18) 0.5067(2) 0.69777(15) 0.0323(10) Uani 1 1 d . . . . .
H173 H 0.3813 0.5030 0.7313 0.039 Uiso 1 1 calc R U . . .
C172 C 0.33282(18) 0.45884(19) 0.67160(15) 0.0308(9) Uani 1 1 d . . . . .
H172 H 0.3360 0.4224 0.6869 0.037 Uiso 1 1 calc R U . . .
C171 C 0.30122(17) 0.46481(19) 0.62287(15) 0.0293(9) Uani 1 1 d . . . . .
H171 H 0.2824 0.4324 0.6047 0.035 Uiso 1 1 calc R U . . .
C170 C 0.29699(16) 0.51761(18) 0.60050(15) 0.0268(9) Uani 1 1 d . . . . .
H170 H 0.2746 0.5213 0.5672 0.032 Uiso 1 1 calc R U . . .
C169 C 0.32509(15) 0.56565(17) 0.62606(14) 0.0217(8) Uani 1 1 d . . . . .
C168 C 0.0980(3) 0.3694(3) 0.3671(2) 0.0561(16) Uani 1 1 d . . . . .
H16A H 0.0648 0.3701 0.3388 0.084 Uiso 1 1 calc R U . . .
H16B H 0.1204 0.3445 0.3608 0.084 Uiso 1 1 calc R U . . .
H16C H 0.1116 0.4090 0.3742 0.084 Uiso 1 1 calc R U . . .
C167 C 0.0572(2) 0.3827(2) 0.4186(2) 0.0539(15) Uani 1 1 d . . . . .
H16D H 0.0669 0.4237 0.4210 0.081 Uiso 1 1 calc R U . . .
H16E H 0.0580 0.3704 0.4485 0.081 Uiso 1 1 calc R U . . .
H16F H 0.0233 0.3777 0.3919 0.081 Uiso 1 1 calc R U . . .
C166 C 0.09375(18) 0.3458(2) 0.40964(17) 0.0374(11) Uani 1 1 d . . . . .
H166 H 0.1274 0.3501 0.4384 0.045 Uiso 1 1 calc R U . . .
C165 C -0.0277(4) 0.1198(4) 0.3102(3) 0.126(4) Uani 1 1 d . U . . .
H16G H -0.0572 0.1117 0.2793 0.189 Uiso 1 1 calc R U . . .
H16H H -0.0373 0.1197 0.3356 0.189 Uiso 1 1 calc R U . . .
H16I H -0.0023 0.0898 0.3168 0.189 Uiso 1 1 calc R U . . .
C164 C -0.0499(3) 0.2188(5) 0.2814(3) 0.121(5) Uani 1 1 d . . . . .
H16J H -0.0733 0.2021 0.2502 0.182 Uiso 1 1 calc R U . . .
H16K H -0.0366 0.2555 0.2765 0.182 Uiso 1 1 calc R U . . .
H16L H -0.0674 0.2260 0.3001 0.182 Uiso 1 1 calc R U . . .
C163 C -0.00727(19) 0.1767(2) 0.30825(17) 0.0416(12) Uani 1 1 d . . . . .
H163 H 0.0113 0.1723 0.2895 0.050 Uiso 1 1 calc R U . . .
C162 C 0.1124(2) 0.0899(2) 0.4815(2) 0.0493(14) Uani 1 1 d . . . . .
H16M H 0.0836 0.0691 0.4567 0.074 Uiso 1 1 calc R U . . .
H16N H 0.1254 0.0687 0.5118 0.074 Uiso 1 1 calc R U . . .
H16O H 0.1386 0.0931 0.4719 0.074 Uiso 1 1 calc R U . . .
C161 C 0.0539(2) 0.1483(3) 0.5012(2) 0.0493(13) Uani 1 1 d . . . . .
H16P H 0.0243 0.1304 0.4749 0.074 Uiso 1 1 calc R U . . .
H16Q H 0.0455 0.1876 0.5068 0.074 Uiso 1 1 calc R U . . .
H16R H 0.0647 0.1250 0.5303 0.074 Uiso 1 1 calc R U . . .
C160 C 0.09610(19) 0.1512(2) 0.48789(17) 0.0361(10) Uani 1 1 d . . . . .
H160 H 0.1255 0.1700 0.5152 0.043 Uiso 1 1 calc R U . . .
C159 C 0.08106(17) 0.1893(2) 0.44403(16) 0.0312(9) Uani 1 1 d . . . . .
C158 C 0.04723(18) 0.1675(2) 0.39898(17) 0.0337(10) Uani 1 1 d . . . . .
H158 H 0.0360 0.1285 0.3965 0.040 Uiso 1 1 calc R U . . .
C157 C 0.02952(17) 0.2008(2) 0.35782(16) 0.0365(11) Uani 1 1 d . . . . .
C156 C 0.04616(18) 0.2581(2) 0.36230(18) 0.0411(12) Uani 1 1 d . . . . .
H156 H 0.0341 0.2815 0.3343 0.049 Uiso 1 1 calc R U . . .
C155 C 0.07970(17) 0.2821(2) 0.40602(16) 0.0341(10) Uani 1 1 d . . . . .
C154 C 0.09836(16) 0.24651(19) 0.44745(15) 0.0275(9) Uani 1 1 d . . . . .
C153 C 0.2415(2) 0.4035(2) 0.43350(16) 0.0375(11) Uani 1 1 d . . . . .
H15A H 0.2101 0.4142 0.4052 0.056 Uiso 1 1 calc R U . . .
H15B H 0.2555 0.3689 0.4264 0.056 Uiso 1 1 calc R U . . .
H15C H 0.2654 0.4357 0.4420 0.056 Uiso 1 1 calc R U . . .
C152 C 0.21017(19) 0.4444(2) 0.48738(16) 0.0376(11) Uani 1 1 d . . . . .
H15D H 0.2327 0.4774 0.4931 0.056 Uiso 1 1 calc R U . . .
H15E H 0.2070 0.4368 0.5162 0.056 Uiso 1 1 calc R U . . .
H15F H 0.1771 0.4533 0.4606 0.056 Uiso 1 1 calc R U . . .
C151 C 0.23145(17) 0.39083(19) 0.47521(14) 0.0284(9) Uani 1 1 d . . . . .
H151 H 0.2051 0.3600 0.4644 0.034 Uiso 1 1 calc R U . . .
C150 C 0.4200(3) 0.4401(4) 0.5563(3) 0.084(2) Uani 1 1 d . . . . .
H15G H 0.4111 0.4164 0.5277 0.127 Uiso 1 1 calc R U . . .
H15H H 0.4544 0.4542 0.5689 0.127 Uiso 1 1 calc R U . . .
H15I H 0.3971 0.4732 0.5479 0.127 Uiso 1 1 calc R U . . .
C149 C 0.4282(2) 0.4438(3) 0.6357(2) 0.0511(14) Uani 1 1 d . . . . .
H14A H 0.4613 0.4613 0.6473 0.077 Uiso 1 1 calc R U . . .
H14B H 0.4278 0.4198 0.6610 0.077 Uiso 1 1 calc R U . . .
H14C H 0.4030 0.4746 0.6268 0.077 Uiso 1 1 calc R U . . .
C148 C 0.41608(18) 0.4059(2) 0.59159(18) 0.0390(11) Uani 1 1 d . . . . .
H148 H 0.4422 0.3749 0.6018 0.047 Uiso 1 1 calc R U . . .
C147 C 0.34543(18) 0.20969(19) 0.62863(16) 0.0327(10) Uani 1 1 d . . . . .
H14D H 0.3372 0.1961 0.5964 0.049 Uiso 1 1 calc R U . . .
H14E H 0.3400 0.1781 0.6464 0.049 Uiso 1 1 calc R U . . .
H14F H 0.3806 0.2218 0.6456 0.049 Uiso 1 1 calc R U . . .
C146 C 0.3257(2) 0.2849(2) 0.67467(15) 0.0403(12) Uani 1 1 d . . . . .
H14G H 0.3049 0.3189 0.6716 0.060 Uiso 1 1 calc R U . . .
H14H H 0.3611 0.2962 0.6910 0.060 Uiso 1 1 calc R U . . .
H14I H 0.3200 0.2548 0.6934 0.060 Uiso 1 1 calc R U . . .
C145 C 0.31186(18) 0.26123(19) 0.62473(14) 0.0301(9) Uani 1 1 d . . . . .
H145 H 0.2766 0.2469 0.6100 0.036 Uiso 1 1 calc R U . . .
C144 C 0.27685(17) 0.36795(18) 0.51987(14) 0.0266(9) Uani 1 1 d . . . . .
C143 C 0.32363(17) 0.39134(19) 0.53271(15) 0.0294(9) Uani 1 1 d . . . . .
H143 H 0.3269 0.4187 0.5119 0.035 Uiso 1 1 calc R U . . .
C142 C 0.36599(17) 0.37605(19) 0.57501(16) 0.0309(9) Uani 1 1 d . . . . .
C141 C 0.36014(17) 0.33359(19) 0.60335(15) 0.0300(9) Uani 1 1 d . . . . .
H141 H 0.3888 0.3214 0.6317 0.036 Uiso 1 1 calc R U . . .
C140 C 0.31439(17) 0.30837(18) 0.59198(14) 0.0279(9) Uani 1 1 d . . . . .
C139 C 0.27131(16) 0.32714(18) 0.55044(14) 0.0247(8) Uani 1 1 d . . . . .
C138 C 0.22023(16) 0.31072(16) 0.54227(13) 0.0223(8) Uani 1 1 d . . . . .
C137 C 0.20514(17) 0.33122(18) 0.57539(15) 0.0284(9) Uani 1 1 d . . . . .
H137 H 0.2283 0.3520 0.6030 0.034 Uiso 1 1 calc R U . . .
C136 C 0.15715(19) 0.32154(19) 0.56824(16) 0.0331(10) Uani 1 1 d . . . . .
H136 H 0.1479 0.3343 0.5914 0.040 Uiso 1 1 calc R U . . .
C135 C 0.12265(18) 0.2933(2) 0.52745(16) 0.0316(9) Uani 1 1 d . . . . .
H135 H 0.0894 0.2879 0.5221 0.038 Uiso 1 1 calc R U . . .
C134 C 0.13647(16) 0.27284(17) 0.49419(14) 0.0249(8) Uani 1 1 d . . . . .
C133 C 0.18552(15) 0.27991(17) 0.50218(14) 0.0228(8) Uani 1 1 d . . . . .
C132 C 0.53129(18) 0.1826(3) 0.50332(18) 0.0458(13) Uani 1 1 d . . . . .
H13A H 0.5405 0.1794 0.4777 0.069 Uiso 1 1 calc R U . . .
H13B H 0.5557 0.1615 0.5317 0.069 Uiso 1 1 calc R U . . .
H13C H 0.5310 0.2236 0.5115 0.069 Uiso 1 1 calc R U . . .
C131 C 0.47968(19) 0.0908(2) 0.48225(17) 0.0410(12) Uani 1 1 d . . . . .
H13D H 0.4456 0.0759 0.4704 0.062 Uiso 1 1 calc R U . . .
H13E H 0.5016 0.0740 0.5138 0.062 Uiso 1 1 calc R U . . .
H13F H 0.4920 0.0801 0.4598 0.062 Uiso 1 1 calc R U . . .
C130 C 0.47941(17) 0.1567(2) 0.48642(15) 0.0335(10) Uani 1 1 d . . . . .
H130 H 0.4690 0.1661 0.5112 0.040 Uiso 1 1 calc R U . . .
C129 C 0.3723(3) 0.3477(3) 0.4481(2) 0.081(3) Uani 1 1 d . . . . .
H12A H 0.3608 0.3877 0.4469 0.122 Uiso 1 1 calc R U . . .
H12B H 0.4024 0.3410 0.4788 0.122 Uiso 1 1 calc R U . . .
H12C H 0.3459 0.3207 0.4449 0.122 Uiso 1 1 calc R U . . .
C128 C 0.4257(4) 0.3765(4) 0.4129(4) 0.118(3) Uani 1 1 d . U . . .
H12D H 0.4304 0.3729 0.3845 0.177 Uiso 1 1 calc R U . . .
H12E H 0.4566 0.3653 0.4415 0.177 Uiso 1 1 calc R U . . .
H12F H 0.4175 0.4169 0.4162 0.177 Uiso 1 1 calc R U . . .
C127 C 0.38424(18) 0.3378(2) 0.40773(17) 0.0376(11) Uani 1 1 d . . . . .
H127 H 0.3539 0.3491 0.3774 0.045 Uiso 1 1 calc R U . . .
C126 C 0.4334(2) 0.1659(3) 0.29808(17) 0.0453(13) Uani 1 1 d . . . . .
H12G H 0.4248 0.1487 0.2668 0.068 Uiso 1 1 calc R U . . .
H12H H 0.4602 0.1432 0.3235 0.068 Uiso 1 1 calc R U . . .
H12I H 0.4449 0.2060 0.2990 0.068 Uiso 1 1 calc R U . . .
C125 C 0.3670(2) 0.1045(2) 0.30231(17) 0.0444(13) Uani 1 1 d . . . . .
H12J H 0.3544 0.0898 0.2696 0.067 Uiso 1 1 calc R U . . .
H12K H 0.3397 0.1051 0.3105 0.067 Uiso 1 1 calc R U . . .
H12L H 0.3938 0.0790 0.3247 0.067 Uiso 1 1 calc R U . . .
C124 C 0.38735(18) 0.1660(2) 0.30568(15) 0.0318(10) Uani 1 1 d . . . . .
H124 H 0.3608 0.1896 0.2794 0.038 Uiso 1 1 calc R U . . .
C123 C 0.39900(16) 0.19471(19) 0.35321(14) 0.0267(9) Uani 1 1 d . . . . .
C122 C 0.42941(16) 0.1643(2) 0.39532(14) 0.0283(9) Uani 1 1 d . . . . .
H122 H 0.4410 0.1267 0.3931 0.034 Uiso 1 1 calc R U . . .
C121 C 0.44319(16) 0.1874(2) 0.44024(14) 0.0295(9) Uani 1 1 d . . . . .
C120 C 0.42612(17) 0.2426(2) 0.44254(15) 0.0333(10) Uani 1 1 d . . . . .
H120 H 0.4353 0.2587 0.4732 0.040 Uiso 1 1 calc R U . . .
C119 C 0.39622(17) 0.2753(2) 0.40211(15) 0.0314(9) Uani 1 1 d . . . . .
C118 C 0.38181(15) 0.25035(19) 0.35629(14) 0.0260(8) Uani 1 1 d . . . . .
C117 C 0.0464(3) 0.4438(4) 0.1822(4) 0.125(5) Uani 1 1 d . . . . .
H11A H 0.0546 0.4573 0.1574 0.187 Uiso 1 1 calc R U . . .
H11B H 0.0181 0.4663 0.1803 0.187 Uiso 1 1 calc R U . . .
H11C H 0.0373 0.4026 0.1770 0.187 Uiso 1 1 calc R U . . .
C116 C 0.0843(4) 0.4624(5) 0.2690(4) 0.119(4) Uani 1 1 d . . . . .
H11D H 0.0523 0.4653 0.2674 0.143 Uiso 1 1 calc R U . . .
H11E H 0.1137 0.4670 0.2988 0.143 Uiso 1 1 calc R U . . .
C115 C 0.0879(4) 0.4512(6) 0.2275(4) 0.122(4) Uani 1 1 d . . . . .
H115 H 0.0969 0.4915 0.2224 0.146 Uiso 1 1 calc R U . . .
C114 C 0.1735(3) 0.3164(3) 0.13951(19) 0.0551(16) Uani 1 1 d . . . . .
H11F H 0.1738 0.2840 0.1196 0.083 Uiso 1 1 calc R U . . .
H11G H 0.2013 0.3428 0.1459 0.083 Uiso 1 1 calc R U . . .
H11H H 0.1417 0.3374 0.1227 0.083 Uiso 1 1 calc R U . . .
C113 C 0.1380(2) 0.2483(3) 0.17811(19) 0.0489(14) Uani 1 1 d . . . . .
H11I H 0.1052 0.2661 0.1584 0.073 Uiso 1 1 calc R U . . .
H11J H 0.1406 0.2359 0.2088 0.073 Uiso 1 1 calc R U . . .
H11K H 0.1419 0.2146 0.1613 0.073 Uiso 1 1 calc R U . . .
C112 C 0.17922(19) 0.2927(2) 0.18723(17) 0.0378(11) Uani 1 1 d . . . . .
H112 H 0.2121 0.2721 0.2039 0.045 Uiso 1 1 calc R U . . .
C111 C 0.2841(3) 0.5014(3) 0.2871(2) 0.076(2) Uani 1 1 d . . . . .
H11L H 0.2844 0.4896 0.2576 0.114 Uiso 1 1 calc R U . . .
H11M H 0.3162 0.5194 0.3090 0.114 Uiso 1 1 calc R U . . .
H11N H 0.2570 0.5294 0.2794 0.114 Uiso 1 1 calc R U . . .
C110 C 0.2805(3) 0.4642(3) 0.3592(2) 0.072(2) Uani 1 1 d . . . . .
H11O H 0.2541 0.4917 0.3548 0.108 Uiso 1 1 calc R U . . .
H11P H 0.3133 0.4819 0.3792 0.108 Uiso 1 1 calc R U . . .
H11Q H 0.2772 0.4289 0.3748 0.108 Uiso 1 1 calc R U . . .
C109 C 0.2758(2) 0.4487(2) 0.31080(16) 0.0416(12) Uani 1 1 d . . . . .
H109 H 0.3035 0.4209 0.3170 0.050 Uiso 1 1 calc R U . . .
C108 C 0.18060(19) 0.3428(2) 0.21909(17) 0.0361(10) Uani 1 1 d . . . . .
C107 C 0.1362(2) 0.3708(3) 0.2110(2) 0.0558(15) Uani 1 1 d . . . . .
H107 H 0.1049 0.3552 0.1879 0.067 Uiso 1 1 calc R U . . .
C106 C 0.1369(3) 0.4211(3) 0.2361(2) 0.0670(19) Uani 1 1 d . . . . .
C105 C 0.1823(3) 0.4440(3) 0.2683(2) 0.0582(16) Uani 1 1 d . . . . .
H105 H 0.1830 0.4789 0.2845 0.070 Uiso 1 1 calc R U . . .
C104 C 0.2271(2) 0.4178(2) 0.27771(16) 0.0383(11) Uani 1 1 d . . . . .
C103 C 0.22648(18) 0.3661(2) 0.25339(15) 0.0316(10) Uani 1 1 d . . . . .
C102 C 0.27559(17) 0.34058(18) 0.26284(14) 0.0263(9) Uani 1 1 d . . . . .
C101 C 0.29936(19) 0.36376(19) 0.23820(16) 0.0320(10) Uani 1 1 d . . . . .
H101 H 0.2817 0.3903 0.2127 0.038 Uiso 1 1 calc R U . . .
C100 C 0.34813(19) 0.3489(2) 0.25021(16) 0.0338(10) Uani 1 1 d . . . . .
H100 H 0.3635 0.3644 0.2326 0.041 Uiso 1 1 calc R U . . .
C99 C 0.37434(18) 0.3111(2) 0.28813(16) 0.0324(10) Uani 1 1 d . . . . .
H99 H 0.4082 0.3018 0.2974 0.039 Uiso 1 1 calc R U . . .
C7 C 0.26034(15) 0.65344(17) 0.49819(13) 0.0218(8) Uani 1 1 d . . . . .
C6 C 0.22005(16) 0.64026(18) 0.68450(14) 0.0246(8) Uani 1 1 d . . . . .
C5 C 0.19075(17) 0.60520(19) 0.69686(15) 0.0292(9) Uani 1 1 d . . . . .
H5 H 0.1620 0.5866 0.6724 0.035 Uiso 1 1 calc R U . . .
C8 C 0.24808(17) 0.64092(18) 0.45021(14) 0.0261(9) Uani 1 1 d . . . . .
H8 H 0.2239 0.6643 0.4252 0.031 Uiso 1 1 calc R U . . .
C9 C 0.27031(18) 0.59550(19) 0.43854(14) 0.0299(9) Uani 1 1 d . . . . .
H9 H 0.2606 0.5873 0.4059 0.036 Uiso 1 1 calc R U . . .
C10 C 0.30694(18) 0.56207(19) 0.47477(15) 0.0308(10) Uani 1 1 d . . . . .
H10 H 0.3226 0.5312 0.4671 0.037 Uiso 1 1 calc R U . . .
C11 C 0.32044(18) 0.57418(19) 0.52238(15) 0.0291(9) Uani 1 1 d . . . . .
H11 H 0.3458 0.5517 0.5471 0.035 Uiso 1 1 calc R U . . .
C12 C 0.29716(15) 0.61902(18) 0.53429(13) 0.0233(8) Uani 1 1 d . . . . .
C13 C 0.23756(15) 0.16163(17) 0.50541(13) 0.0221(8) Uani 1 1 d . . . . .
C14 C 0.22773(16) 0.15360(18) 0.54420(14) 0.0264(9) Uani 1 1 d . . . . .
H14 H 0.2080 0.1815 0.5497 0.032 Uiso 1 1 calc R U . . .
C15 C 0.24616(17) 0.10611(19) 0.57444(15) 0.0294(9) Uani 1 1 d . . . . .
H15 H 0.2384 0.1011 0.5999 0.035 Uiso 1 1 calc R U . . .
C16 C 0.27599(17) 0.06606(19) 0.56739(15) 0.0300(9) Uani 1 1 d . . . . .
H16 H 0.2887 0.0334 0.5881 0.036 Uiso 1 1 calc R U . . .
C17 C 0.28736(17) 0.07340(18) 0.53038(15) 0.0279(9) Uani 1 1 d . . . . .
H17 H 0.3084 0.0461 0.5261 0.033 Uiso 1 1 calc R U . . .
C18 C 0.26825(15) 0.12051(17) 0.49919(13) 0.0215(8) Uani 1 1 d . . . . .
C19 C 0.23903(15) 0.17922(18) 0.28257(13) 0.0234(8) Uani 1 1 d . . . . .
C20 C 0.25318(17) 0.1727(2) 0.24695(15) 0.0306(9) Uani 1 1 d . . . . .
H20 H 0.2759 0.1999 0.2453 0.037 Uiso 1 1 calc R U . . .
C21 C 0.23510(18) 0.1280(2) 0.21399(16) 0.0353(10) Uani 1 1 d . . . . .
H21 H 0.2463 0.1240 0.1908 0.042 Uiso 1 1 calc R U . . .
C22 C 0.20092(18) 0.0890(2) 0.21464(16) 0.0362(11) Uani 1 1 d . . . . .
H22 H 0.1886 0.0581 0.1920 0.043 Uiso 1 1 calc R U . . .
C23 C 0.18463(17) 0.0952(2) 0.24866(15) 0.0304(9) Uani 1 1 d . . . . .
H23 H 0.1602 0.0693 0.2486 0.037 Uiso 1 1 calc R U . . .
C24 C 0.20412(16) 0.13943(18) 0.28303(13) 0.0234(8) Uani 1 1 d . . . . .
C28 C 0.39522(19) 0.8005(2) 0.86417(15) 0.0369(11) Uani 1 1 d . . . . .
H28 H 0.4092 0.8126 0.8966 0.044 Uiso 1 1 calc R U . . .
C27 C 0.41683(18) 0.7550(2) 0.85187(14) 0.0313(10) Uani 1 1 d . . . . .
H27 H 0.4463 0.7372 0.8759 0.038 Uiso 1 1 calc R U . . .
C26 C 0.39564(16) 0.73501(18) 0.80441(13) 0.0242(8) Uani 1 1 d . . . . .
C25 C 0.35145(15) 0.76055(17) 0.76926(13) 0.0222(8) Uani 1 1 d . . . . .
C29 C 0.35362(19) 0.8282(2) 0.82942(15) 0.0345(10) Uani 1 1 d . . . . .
H29 H 0.3402 0.8608 0.8377 0.041 Uiso 1 1 calc R U . . .
C30 C 0.33101(17) 0.80855(17) 0.78197(14) 0.0241(8) Uani 1 1 d . . . . .
C31 C 0.42444(16) 0.68952(19) 0.79355(13) 0.0267(9) Uani 1 1 d . . . . .
C32 C 0.45422(16) 0.7073(2) 0.77244(14) 0.0314(10) Uani 1 1 d . . . . .
C33 C 0.48367(18) 0.6660(3) 0.76548(16) 0.0419(12) Uani 1 1 d . . . . .
H33 H 0.5027 0.6777 0.7503 0.050 Uiso 1 1 calc R U . . .
C36 C 0.42618(16) 0.63123(19) 0.80749(14) 0.0271(9) Uani 1 1 d . . . . .
C35 C 0.45731(18) 0.5921(2) 0.80039(15) 0.0353(10) Uani 1 1 d . . . . .
H35 H 0.4585 0.5528 0.8101 0.042 Uiso 1 1 calc R U . . .
C34 C 0.48648(19) 0.6087(3) 0.77965(16) 0.0419(12) Uani 1 1 d . . . . .
C37 C 0.39659(17) 0.60976(19) 0.83194(14) 0.0283(9) Uani 1 1 d . . . . .
H37 H 0.3760 0.6429 0.8333 0.034 Uiso 1 1 calc R U . . .
C38 C 0.36102(18) 0.5607(2) 0.80371(16) 0.0336(10) Uani 1 1 d . . . . .
H38A H 0.3399 0.5731 0.7705 0.050 Uiso 1 1 calc R U . . .
H38B H 0.3398 0.5509 0.8183 0.050 Uiso 1 1 calc R U . . .
H38C H 0.3804 0.5264 0.8042 0.050 Uiso 1 1 calc R U . . .
C252 C 0.0364(14) 0.5257(17) 1.0223(17) 0.23(2) Uani 0.5 1 d D U P . .
H25X H 0.0653 0.5468 1.0438 0.270 Uiso 1 1 calc R U . . .
C251 C 0.0116(10) 0.5011(12) 1.0463(9) 0.176(14) Uani 0.5 1 d D U P . .
H25Y H 0.0242 0.5045 1.0800 0.211 Uiso 1 1 calc R U . . .
C250 C -0.0308(9) 0.4729(9) 1.0183(12) 0.136(10) Uani 0.5 1 d D U P . .
H25Z H -0.0525 0.4550 1.0282 0.163 Uiso 1 1 calc R U . . .
C227 C 0.4470(8) 0.4981(10) 0.3591(8) 0.281(11) Uani 1 1 d D U . . .
H22A H 0.4239 0.4784 0.3292 0.421 Uiso 1 1 calc R U . . .
H22B H 0.4718 0.4702 0.3808 0.421 Uiso 1 1 calc R U . . .
H22C H 0.4640 0.5296 0.3519 0.421 Uiso 1 1 calc R U . . .
C226 C 0.4172(7) 0.5234(10) 0.3832(6) 0.249(9) Uani 1 1 d D U . . .
H22D H 0.3928 0.4935 0.3812 0.299 Uiso 1 1 calc R U . . .
H22E H 0.3977 0.5569 0.3637 0.299 Uiso 1 1 calc R U . . .
C225 C 0.4467(6) 0.5444(7) 0.4375(6) 0.202(6) Uani 1 1 d D U . . .
H22F H 0.4674 0.5122 0.4581 0.243 Uiso 1 1 calc R U . . .
H22G H 0.4692 0.5770 0.4404 0.243 Uiso 1 1 calc R U . . .
C224 C 0.4117(6) 0.5625(7) 0.4528(6) 0.171(6) Uani 1 1 d D U . . .
H22Y H 0.3869 0.5888 0.4284 0.205 Uiso 1 1 calc R U . . .
H22Z H 0.3937 0.5281 0.4555 0.205 Uiso 1 1 calc DR U . . .
C223 C 0.4357(5) 0.5915(6) 0.4975(6) 0.163(6) Uani 1 1 d . U . . .
H22S H 0.4545 0.6248 0.4952 0.245 Uiso 1 1 calc R U . . .
H22T H 0.4586 0.5646 0.5221 0.245 Uiso 1 1 calc R U . . .
H22U H 0.4104 0.6051 0.5061 0.245 Uiso 1 1 calc DR U . . .
C40 C 0.45760(17) 0.7703(2) 0.76071(16) 0.0371(11) Uani 1 1 d . . . . .
H40 H 0.4346 0.7935 0.7686 0.045 Uiso 1 1 calc R U . . .
C39 C 0.43185(19) 0.5904(2) 0.88362(16) 0.0382(11) Uani 1 1 d . . . . .
H39A H 0.4503 0.5557 0.8831 0.057 Uiso 1 1 calc R U . . .
H39B H 0.4122 0.5814 0.8999 0.057 Uiso 1 1 calc R U . . .
H39C H 0.4555 0.6217 0.9007 0.057 Uiso 1 1 calc R U . . .
C46 C 0.28726(18) 0.84132(18) 0.74446(14) 0.0287(9) Uani 1 1 d . . . . .
C45 C 0.5706(2) 0.5622(3) 0.8208(2) 0.0621(18) Uani 1 1 d . . . . .
H45A H 0.5936 0.5358 0.8166 0.093 Uiso 1 1 calc R U . . .
H45B H 0.5639 0.5473 0.8461 0.093 Uiso 1 1 calc R U . . .
H45C H 0.5859 0.6008 0.8298 0.093 Uiso 1 1 calc R U . . .
C44 C 0.5001(2) 0.5067(4) 0.7575(3) 0.106(4) Uani 1 1 d . . . . .
H44A H 0.4682 0.5104 0.7280 0.159 Uiso 1 1 calc R U . . .
H44B H 0.4944 0.4880 0.7823 0.159 Uiso 1 1 calc R U . . .
H44C H 0.5232 0.4831 0.7513 0.159 Uiso 1 1 calc R U . . .
C43 C 0.5223(2) 0.5662(3) 0.7745(2) 0.0582(17) Uani 1 1 d . . . . .
H43 H 0.5304 0.5825 0.7498 0.070 Uiso 1 1 calc R U . . .
C42 C 0.5111(2) 0.7934(3) 0.7914(2) 0.070(2) Uani 1 1 d . . . . .
H42A H 0.5342 0.7716 0.7839 0.105 Uiso 1 1 calc R U . . .
H42B H 0.5208 0.7886 0.8254 0.105 Uiso 1 1 calc R U . . .
H42C H 0.5123 0.8347 0.7845 0.105 Uiso 1 1 calc R U . . .
C41 C 0.4417(2) 0.7791(3) 0.70778(17) 0.0478(14) Uani 1 1 d . . . . .
H41A H 0.4072 0.7655 0.6884 0.072 Uiso 1 1 calc R U . . .
H41B H 0.4639 0.7569 0.6993 0.072 Uiso 1 1 calc R U . . .
H41C H 0.4437 0.8204 0.7015 0.072 Uiso 1 1 calc R U . . .
C51 C 0.24031(18) 0.84073(19) 0.74344(15) 0.0299(9) Uani 1 1 d . . . . .
C50 C 0.20223(19) 0.8761(2) 0.71131(16) 0.0361(10) Uani 1 1 d . . . . .
H50 H 0.1706 0.8752 0.7106 0.043 Uiso 1 1 calc R U . . .
C49 C 0.2090(2) 0.9129(2) 0.67993(17) 0.0405(12) Uani 1 1 d . . . . .
C48 C 0.2547(2) 0.9121(2) 0.68037(16) 0.0390(11) Uani 1 1 d . . . . .
H48 H 0.2592 0.9360 0.6583 0.047 Uiso 1 1 calc R U . . .
C47 C 0.29419(19) 0.87773(19) 0.71174(16) 0.0332(10) Uani 1 1 d . . . . .
C53 C 0.18325(19) 0.7655(2) 0.75091(18) 0.0414(11) Uani 1 1 d . . . . .
H53A H 0.1538 0.7908 0.7356 0.062 Uiso 1 1 calc R U . . .
H53B H 0.1798 0.7396 0.7737 0.062 Uiso 1 1 calc R U . . .
H53C H 0.1860 0.7422 0.7264 0.062 Uiso 1 1 calc R U . . .
C52 C 0.23024(19) 0.8025(2) 0.77739(16) 0.0359(10) Uani 1 1 d . . . . .
H52 H 0.2593 0.7756 0.7940 0.043 Uiso 1 1 calc R U . . .
C54 C 0.2267(3) 0.8398(3) 0.8162(2) 0.0523(15) Uani 1 1 d . . . . .
H54A H 0.1976 0.8657 0.8010 0.078 Uiso 1 1 calc R U . . .
H54B H 0.2572 0.8629 0.8332 0.078 Uiso 1 1 calc R U . . .
H54C H 0.2228 0.8143 0.8390 0.078 Uiso 1 1 calc R U . . .
C55 C 0.3449(2) 0.8834(2) 0.71345(18) 0.0403(12) Uani 1 1 d . . . . .
H55 H 0.3620 0.8449 0.7237 0.048 Uiso 1 1 calc R U . . .
C56 C 0.3776(3) 0.9280(3) 0.7514(2) 0.0594(16) Uani 1 1 d . . . . .
H56A H 0.4106 0.9296 0.7532 0.089 Uiso 1 1 calc R U . . .
H56B H 0.3812 0.9165 0.7827 0.089 Uiso 1 1 calc R U . . .
H56C H 0.3618 0.9663 0.7427 0.089 Uiso 1 1 calc R U . . .
C57 C 0.3420(2) 0.8981(3) 0.6651(2) 0.0510(14) Uani 1 1 d . . . . .
H57A H 0.3213 0.8691 0.6412 0.077 Uiso 1 1 calc R U . . .
H57B H 0.3758 0.8979 0.6684 0.077 Uiso 1 1 calc R U . . .
H57C H 0.3271 0.9367 0.6547 0.077 Uiso 1 1 calc R U . . .
C58 C 0.1676(3) 0.9537(3) 0.6463(3) 0.0655(18) Uani 1 1 d . . . . .
H58 H 0.1576 0.9353 0.6145 0.079 Uiso 1 1 calc R U . . .
C59 C 0.1242(4) 0.9530(5) 0.6478(5) 0.139(4) Uani 1 1 d . U . . .
H59A H 0.1067 0.9883 0.6449 0.166 Uiso 1 1 calc R U . . .
H59B H 0.1110 0.9173 0.6518 0.166 Uiso 1 1 calc R U . . .
C60 C 0.1855(3) 1.0116(3) 0.6400(3) 0.072(2) Uani 1 1 d . . . . .
H60A H 0.2058 1.0068 0.6238 0.107 Uiso 1 1 calc R U . . .
H60B H 0.2058 1.0295 0.6715 0.107 Uiso 1 1 calc R U . . .
H60C H 0.1567 1.0365 0.6207 0.107 Uiso 1 1 calc R U . . .
C61 C 0.18102(15) 0.75632(17) 0.44481(13) 0.0216(8) Uani 1 1 d . . . . .
C62 C 0.13383(15) 0.73821(17) 0.40884(13) 0.0238(8) Uani 1 1 d . . . . .
C63 C 0.11593(17) 0.75905(19) 0.36190(14) 0.0292(9) Uani 1 1 d . . . . .
H63 H 0.0845 0.7459 0.3373 0.035 Uiso 1 1 calc R U . . .
C64 C 0.14353(18) 0.7985(2) 0.35117(14) 0.0323(10) Uani 1 1 d . . . . .
H64 H 0.1313 0.8116 0.3191 0.039 Uiso 1 1 calc R U . . .
C65 C 0.18888(17) 0.81885(18) 0.38695(14) 0.0287(9) Uani 1 1 d . . . . .
H65 H 0.2072 0.8469 0.3796 0.034 Uiso 1 1 calc R U . . .
C66 C 0.20776(16) 0.79822(17) 0.43388(13) 0.0226(8) Uani 1 1 d . . . . .
C69 C 0.34410(17) 0.84312(19) 0.50529(14) 0.0285(9) Uani 1 1 d . . . . .
H69 H 0.3754 0.8345 0.5069 0.034 Uiso 1 1 calc R U . . .
C68 C 0.30209(16) 0.81185(18) 0.47384(13) 0.0245(8) Uani 1 1 d . . . . .
C67 C 0.25546(16) 0.82446(17) 0.47163(14) 0.0234(8) Uani 1 1 d . . . . .
C70 C 0.34163(17) 0.88706(18) 0.53471(15) 0.0284(9) Uani 1 1 d . . . . .
C78 C 0.1845(2) 0.9406(3) 0.4737(2) 0.0496(14) Uani 1 1 d . . . . .
H78A H 0.1820 0.9365 0.4419 0.074 Uiso 1 1 calc R U . . .
H78B H 0.2074 0.9725 0.4910 0.074 Uiso 1 1 calc R U . . .
H78C H 0.1513 0.9491 0.4703 0.074 Uiso 1 1 calc R U . . .
C77 C 0.2086(2) 0.8905(3) 0.55171(19) 0.0468(13) Uani 1 1 d . . . . .
H77A H 0.1756 0.8997 0.5486 0.070 Uiso 1 1 calc R U . . .
H77B H 0.2320 0.9220 0.5690 0.070 Uiso 1 1 calc R U . . .
H77C H 0.2208 0.8541 0.5695 0.070 Uiso 1 1 calc R U . . .
C76 C 0.20424(18) 0.88410(19) 0.50178(16) 0.0315(10) Uani 1 1 d . . . . .
H76 H 0.1792 0.8528 0.4844 0.038 Uiso 1 1 calc R U . . .
C75 C 0.3149(2) 0.7986(2) 0.40160(15) 0.0355(10) Uani 1 1 d . . . . .
H75A H 0.3165 0.7696 0.3797 0.053 Uiso 1 1 calc R U . . .
H75B H 0.3464 0.8203 0.4169 0.053 Uiso 1 1 calc R U . . .
H75C H 0.2872 0.8254 0.3836 0.053 Uiso 1 1 calc R U . . .
C74 C 0.34870(17) 0.72370(19) 0.46685(15) 0.0290(9) Uani 1 1 d . . . . .
H74A H 0.3483 0.6944 0.4442 0.043 Uiso 1 1 calc R U . . .
H74B H 0.3436 0.7047 0.4918 0.043 Uiso 1 1 calc R U . . .
H74C H 0.3811 0.7437 0.4816 0.043 Uiso 1 1 calc R U . . .
C73 C 0.30657(17) 0.76804(18) 0.44004(14) 0.0262(9) Uani 1 1 d . . . . .
H73 H 0.2743 0.7462 0.4235 0.031 Uiso 1 1 calc R U . . .
C72 C 0.25314(17) 0.86706(18) 0.50324(14) 0.0270(9) Uani 1 1 d . . . . .
C71 C 0.29654(18) 0.89705(19) 0.53334(14) 0.0294(9) Uani 1 1 d . . . . .
H71 H 0.2949 0.9259 0.5540 0.035 Uiso 1 1 calc R U . . .
C79 C 0.38705(18) 0.9247(2) 0.56555(17) 0.0348(10) Uani 1 1 d . . . . .
H79 H 0.3764 0.9537 0.5824 0.042 Uiso 1 1 calc R U . . .
C80 C 0.43080(19) 0.8908(2) 0.60384(17) 0.0407(11) Uani 1 1 d . . . . .
H80A H 0.4469 0.8681 0.5888 0.061 Uiso 1 1 calc R U . . .
H80B H 0.4186 0.8646 0.6203 0.061 Uiso 1 1 calc R U . . .
H80C H 0.4552 0.9179 0.6271 0.061 Uiso 1 1 calc R U . . .
C81 C 0.40425(19) 0.9586(2) 0.53464(19) 0.0422(12) Uani 1 1 d . . . . .
H81A H 0.4165 0.9315 0.5188 0.063 Uiso 1 1 calc R U . . .
H81B H 0.4312 0.9853 0.5549 0.063 Uiso 1 1 calc R U . . .
H81C H 0.3761 0.9809 0.5104 0.063 Uiso 1 1 calc R U . . .
C82 C 0.09910(16) 0.6998(2) 0.41819(14) 0.0290(9) Uani 1 1 d . . . . .
C83 C 0.09132(17) 0.6414(2) 0.40320(15) 0.0322(10) Uani 1 1 d . . . . .
C84 C 0.05552(18) 0.6092(2) 0.40886(16) 0.0380(11) Uani 1 1 d . . . . .
H84 H 0.0500 0.5699 0.3985 0.046 Uiso 1 1 calc R U . . .
C85 C 0.02784(18) 0.6325(3) 0.42893(17) 0.0419(12) Uani 1 1 d . . . . .
C86 C 0.03545(19) 0.6900(3) 0.44269(17) 0.0432(12) Uani 1 1 d . . . . .
H86 H 0.0165 0.7065 0.4565 0.052 Uiso 1 1 calc R U . . .
C87 C 0.07001(17) 0.7251(2) 0.43709(16) 0.0360(10) Uani 1 1 d . . . . .
C88 C 0.11831(19) 0.6131(2) 0.37886(16) 0.0351(10) Uani 1 1 d . . . . .
H88 H 0.1454 0.6401 0.3818 0.042 Uiso 1 1 calc R U . . .
C89 C 0.1427(2) 0.5554(2) 0.40251(19) 0.0436(12) Uani 1 1 d . . . . .
H89A H 0.1166 0.5270 0.3976 0.065 Uiso 1 1 calc R U . . .
H89B H 0.1642 0.5614 0.4369 0.065 Uiso 1 1 calc R U . . .
H89C H 0.1629 0.5408 0.3881 0.065 Uiso 1 1 calc R U . . .
C90 C 0.0828(2) 0.6037(2) 0.32545(18) 0.0460(13) Uani 1 1 d . . . . .
H90A H 0.0682 0.6410 0.3103 0.069 Uiso 1 1 calc R U . . .
H90B H 0.0560 0.5770 0.3216 0.069 Uiso 1 1 calc R U . . .
H90C H 0.1013 0.5870 0.3102 0.069 Uiso 1 1 calc R U . . .
C91 C 0.0726(2) 0.7897(3) 0.44782(19) 0.0447(12) Uani 1 1 d . . . . .
H91 H 0.0989 0.8072 0.4413 0.054 Uiso 1 1 calc R U . . .
C92 C 0.0865(3) 0.8022(3) 0.4995(2) 0.0695(19) Uani 1 1 d . . . . .
H92A H 0.0882 0.8442 0.5047 0.104 Uiso 1 1 calc R U . . .
H92B H 0.1191 0.7847 0.5206 0.104 Uiso 1 1 calc R U . . .
H92C H 0.0611 0.7855 0.5067 0.104 Uiso 1 1 calc R U . . .
C93 C 0.0226(3) 0.8195(4) 0.4148(3) 0.100(3) Uani 1 1 d . . . . .
H93A H 0.0155 0.8154 0.3814 0.151 Uiso 1 1 calc R U . . .
H93B H 0.0247 0.8608 0.4230 0.151 Uiso 1 1 calc R U . . .
H93C H -0.0042 0.8012 0.4189 0.151 Uiso 1 1 calc R U . . .
C94 C -0.0123(2) 0.5963(3) 0.4330(2) 0.0551(16) Uani 1 1 d . . . . .
H94 H -0.0077 0.5558 0.4243 0.066 Uiso 1 1 calc R U . . .
C95 C -0.0052(2) 0.5924(4) 0.4821(2) 0.082(3) Uani 1 1 d . . . . .
H95A H -0.0315 0.5678 0.4823 0.123 Uiso 1 1 calc R U . . .
H95B H -0.0070 0.6313 0.4936 0.123 Uiso 1 1 calc R U . . .
H95C H 0.0276 0.5753 0.5031 0.123 Uiso 1 1 calc R U . . .
C96 C -0.0636(2) 0.6140(3) 0.3955(2) 0.0567(16) Uani 1 1 d . . . . .
H96A H -0.0661 0.6105 0.3637 0.085 Uiso 1 1 calc R U . . .
H96B H -0.0698 0.6544 0.4010 0.085 Uiso 1 1 calc R U . . .
H96C H -0.0886 0.5888 0.3975 0.085 Uiso 1 1 calc R U . . .
C97 C 0.30089(16) 0.29972(18) 0.29952(14) 0.0250(8) Uani 1 1 d . . . . .
C98 C 0.35089(16) 0.28663(18) 0.31274(15) 0.0260(9) 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
Pd1 P2 2.3084(10) . ?
Pd1 P1 2.3136(11) . ?
Pd1 Sn1 2.5567(4) . ?
Pd1 Sn2 2.5616(4) . ?
C1 C6 1.400(6) . ?
C1 C2 1.404(5) . ?
C1 Sn1 2.208(4) . ?
Sn1 C25 2.208(4) . ?
P1 C181 1.820(4) . ?
P1 C187 1.842(5) . ?
P1 C6 1.858(4) . ?
Pd2 P4 2.3282(10) . ?
Pd2 P3 2.3293(10) . ?
Pd2 Sn3 2.5648(4) . ?
Pd2 Sn4 2.5940(4) . ?
C2 C3 1.381(6) . ?
C2 H2 0.9500 . ?
Sn2 C7 2.200(4) . ?
Sn2 C61 2.233(4) . ?
P2 C169 1.823(4) . ?
P2 C12 1.840(4) . ?
P2 C175 1.848(4) . ?
Sn3 C13 2.201(4) . ?
Sn3 C133 2.209(4) . ?
C3 C4 1.390(6) . ?
C3 H3 0.9500 . ?
P3 C205 1.821(4) . ?
P3 C211 1.839(4) . ?
P3 C18 1.853(4) . ?
Sn4 C19 2.212(4) . ?
Sn4 C97 2.245(4) . ?
C4 C5 1.383(6) . ?
C4 H4 0.9500 . ?
P4 C193 1.828(4) . ?
P4 C199 1.846(5) . ?
P4 C24 1.851(4) . ?
C222 C217 1.433(14) . ?
C222 C221 1.516(16) . ?
C222 H222 0.9500 . ?
C221 C220 1.344(13) . ?
C221 H221 0.9500 . ?
C220 C219 1.345(14) . ?
C220 H220 0.9500 . ?
C219 C218 1.385(16) . ?
C219 H219 0.9500 . ?
C218 C217 1.250(13) . ?
C218 H218 0.9500 . ?
C217 H217 0.9500 . ?
C216 C215 1.388(7) . ?
C216 C211 1.399(6) . ?
C216 H216 0.9500 . ?
C215 C214 1.377(9) . ?
C215 H215 0.9500 . ?
C214 C213 1.367(9) . ?
C214 H214 0.9500 . ?
C213 C212 1.390(7) . ?
C213 H213 0.9500 . ?
C212 C211 1.375(6) . ?
C212 H212 0.9500 . ?
C210 C209 1.386(6) . ?
C210 C205 1.401(6) . ?
C210 H210 0.9500 . ?
C209 C208 1.385(7) . ?
C209 H209 0.9500 . ?
C208 C207 1.378(6) . ?
C208 H208 0.9500 . ?
C207 C206 1.389(6) . ?
C207 H207 0.9500 . ?
C206 C205 1.393(6) . ?
C206 H206 0.9500 . ?
C204 C203 1.385(8) . ?
C204 C199 1.402(6) . ?
C204 H204 0.9500 . ?
C203 C202 1.367(9) . ?
C203 H203 0.9500 . ?
C202 C201 1.386(8) . ?
C202 H202 0.9500 . ?
C201 C200 1.395(7) . ?
C201 H201 0.9500 . ?
C200 C199 1.388(7) . ?
C200 H200 0.9500 . ?
C198 C197 1.393(7) . ?
C198 C193 1.393(7) . ?
C198 H198 0.9500 . ?
C197 C196 1.380(10) . ?
C197 H197 0.9500 . ?
C196 C195 1.380(11) . ?
C196 H196 0.9500 . ?
C195 C194 1.388(8) . ?
C195 H195 0.9500 . ?
C194 C193 1.402(8) . ?
C194 H194 0.9500 . ?
C192 C187 1.385(7) . ?
C192 C191 1.403(8) . ?
C192 H192 0.9500 . ?
C191 C190 1.361(11) . ?
C191 H191 0.9500 . ?
C190 C189 1.358(11) . ?
C190 H190 0.9500 . ?
C189 C188 1.381(8) . ?
C189 H189 0.9500 . ?
C188 C187 1.384(8) . ?
C188 H188 0.9500 . ?
C186 C185 1.390(6) . ?
C186 C181 1.403(5) . ?
C186 H186 0.9500 . ?
C185 C184 1.381(6) . ?
C185 H185 0.9500 . ?
C184 C183 1.387(6) . ?
C184 H184 0.9500 . ?
C183 C182 1.388(6) . ?
C183 H183 0.9500 . ?
C182 C181 1.388(6) . ?
C182 H182 0.9500 . ?
C180 C175 1.384(6) . ?
C180 C179 1.396(7) . ?
C180 H180 0.9500 . ?
C179 C178 1.378(7) . ?
C179 H179 0.9500 . ?
C178 C177 1.383(7) . ?
C178 H178 0.9500 . ?
C177 C176 1.386(7) . ?
C177 H177 0.9500 . ?
C176 C175 1.389(6) . ?
C176 H176 0.9500 . ?
C174 C173 1.385(6) . ?
C174 C169 1.401(5) . ?
C174 H174 0.9500 . ?
C173 C172 1.387(6) . ?
C173 H173 0.9500 . ?
C172 C171 1.385(6) . ?
C172 H172 0.9500 . ?
C171 C170 1.382(6) . ?
C171 H171 0.9500 . ?
C170 C169 1.397(6) . ?
C170 H170 0.9500 . ?
C168 C166 1.516(7) . ?
C168 H16A 0.9800 . ?
C168 H16B 0.9800 . ?
C168 H16C 0.9800 . ?
C167 C166 1.526(8) . ?
C167 H16D 0.9800 . ?
C167 H16E 0.9800 . ?
C167 H16F 0.9800 . ?
C166 C155 1.518(7) . ?
C166 H166 1.0000 . ?
C165 C163 1.465(9) . ?
C165 H16G 0.9800 . ?
C165 H16H 0.9800 . ?
C165 H16I 0.9800 . ?
C164 C163 1.514(9) . ?
C164 H16J 0.9800 . ?
C164 H16K 0.9800 . ?
C164 H16L 0.9800 . ?
C163 C157 1.535(6) . ?
C163 H163 1.0000 . ?
C162 C160 1.540(7) . ?
C162 H16M 0.9800 . ?
C162 H16N 0.9800 . ?
C162 H16O 0.9800 . ?
C161 C160 1.530(7) . ?
C161 H16P 0.9800 . ?
C161 H16Q 0.9800 . ?
C161 H16R 0.9800 . ?
C160 C159 1.519(6) . ?
C160 H160 1.0000 . ?
C159 C158 1.398(6) . ?
C159 C154 1.403(6) . ?
C158 C157 1.384(7) . ?
C158 H158 0.9500 . ?
C157 C156 1.394(7) . ?
C156 C155 1.386(7) . ?
C156 H156 0.9500 . ?
C155 C154 1.417(6) . ?
C154 C134 1.508(6) . ?
C153 C151 1.521(6) . ?
C153 H15A 0.9800 . ?
C153 H15B 0.9800 . ?
C153 H15C 0.9800 . ?
C152 C151 1.524(6) . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C151 C144 1.526(6) . ?
C151 H151 1.0000 . ?
C150 C148 1.419(9) . ?
C150 H15G 0.9800 . ?
C150 H15H 0.9800 . ?
C150 H15I 0.9800 . ?
C149 C148 1.537(7) . ?
C149 H14A 0.9800 . ?
C149 H14B 0.9800 . ?
C149 H14C 0.9800 . ?
C148 C142 1.517(7) . ?
C148 H148 1.0000 . ?
C147 C145 1.530(6) . ?
C147 H14D 0.9800 . ?
C147 H14E 0.9800 . ?
C147 H14F 0.9800 . ?
C146 C145 1.533(6) . ?
C146 H14G 0.9800 . ?
C146 H14H 0.9800 . ?
C146 H14I 0.9800 . ?
C145 C140 1.529(6) . ?
C145 H145 1.0000 . ?
C144 C143 1.387(6) . ?
C144 C139 1.416(6) . ?
C143 C142 1.392(6) . ?
C143 H143 0.9500 . ?
C142 C141 1.395(6) . ?
C141 C140 1.386(7) . ?
C141 H141 0.9500 . ?
C140 C139 1.413(6) . ?
C139 C138 1.495(6) . ?
C138 C133 1.399(6) . ?
C138 C137 1.412(5) . ?
C137 C136 1.383(7) . ?
C137 H137 0.9500 . ?
C136 C135 1.380(7) . ?
C136 H136 0.9500 . ?
C135 C134 1.390(6) . ?
C135 H135 0.9500 . ?
C134 C133 1.397(6) . ?
C132 C130 1.524(7) . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C131 C130 1.522(7) . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C130 C121 1.524(6) . ?
C130 H130 1.0000 . ?
C129 C127 1.504(8) . ?
C129 H12A 0.9800 . ?
C129 H12B 0.9800 . ?
C129 H12C 0.9800 . ?
C128 C127 1.487(10) . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
C127 C119 1.517(7) . ?
C127 H127 1.0000 . ?
C126 C124 1.529(7) . ?
C126 H12G 0.9800 . ?
C126 H12H 0.9800 . ?
C126 H12I 0.9800 . ?
C125 C124 1.529(7) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C124 C123 1.525(6) . ?
C124 H124 1.0000 . ?
C123 C122 1.397(6) . ?
C123 C118 1.404(6) . ?
C122 C121 1.385(6) . ?
C122 H122 0.9500 . ?
C121 C120 1.386(7) . ?
C120 C119 1.389(6) . ?
C120 H120 0.9500 . ?
C119 C118 1.424(6) . ?
C118 C98 1.501(6) . ?
C117 C115 1.401(13) . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C116 C115 1.397(12) . ?
C116 H11D 0.9500 . ?
C116 H11E 0.9500 . ?
C115 C106 1.543(10) . ?
C115 H115 1.0000 . ?
C114 C112 1.538(7) . ?
C114 H11F 0.9800 . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C113 C112 1.533(7) . ?
C113 H11I 0.9800 . ?
C113 H11J 0.9800 . ?
C113 H11K 0.9800 . ?
C112 C108 1.520(7) . ?
C112 H112 1.0000 . ?
C111 C109 1.510(7) . ?
C111 H11L 0.9800 . ?
C111 H11M 0.9800 . ?
C111 H11N 0.9800 . ?
C110 C109 1.513(7) . ?
C110 H11O 0.9800 . ?
C110 H11P 0.9800 . ?
C110 H11Q 0.9800 . ?
C109 C104 1.523(8) . ?
C109 H109 1.0000 . ?
C108 C107 1.404(8) . ?
C108 C103 1.405(7) . ?
C107 C106 1.401(10) . ?
C107 H107 0.9500 . ?
C106 C105 1.371(10) . ?
C105 C104 1.384(8) . ?
C105 H105 0.9500 . ?
C104 C103 1.413(7) . ?
C103 C102 1.495(6) . ?
C102 C101 1.397(6) . ?
C102 C97 1.406(6) . ?
C101 C100 1.386(7) . ?
C101 H101 0.9500 . ?
C100 C99 1.388(6) . ?
C100 H100 0.9500 . ?
C99 C98 1.401(6) . ?
C99 H99 0.9500 . ?
C7 C12 1.404(5) . ?
C7 C8 1.414(5) . ?
C6 C5 1.389(6) . ?
C5 H5 0.9500 . ?
C8 C9 1.387(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(6) . ?
C11 H11 0.9500 . ?
C13 C18 1.407(6) . ?
C13 C14 1.409(5) . ?
C14 C15 1.385(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.395(5) . ?
C17 H17 0.9500 . ?
C19 C20 1.394(6) . ?
C19 C24 1.406(6) . ?
C20 C21 1.382(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.401(6) . ?
C23 H23 0.9500 . ?
C28 C29 1.376(7) . ?
C28 C27 1.387(7) . ?
C28 H28 0.9500 . ?
C27 C26 1.404(5) . ?
C27 H27 0.9500 . ?
C26 C25 1.403(6) . ?
C26 C31 1.505(6) . ?
C25 C30 1.417(6) . ?
C29 C30 1.399(5) . ?
C29 H29 0.9500 . ?
C30 C46 1.499(6) . ?
C31 C36 1.406(6) . ?
C31 C32 1.417(6) . ?
C32 C33 1.393(7) . ?
C32 C40 1.513(7) . ?
C33 C34 1.383(8) . ?
C33 H33 0.9500 . ?
C36 C35 1.399(6) . ?
C36 C37 1.522(6) . ?
C35 C34 1.384(7) . ?
C35 H35 0.9500 . ?
C34 C43 1.528(7) . ?
C37 C38 1.525(6) . ?
C37 C39 1.537(6) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C252 C250 1.21(4) 3_567 ?
C252 C251 1.420(18) . ?
C252 H25X 0.9500 . ?
C251 C250 1.333(18) . ?
C251 H25Y 0.9500 . ?
C250 C252 1.21(4) 3_567 ?
C250 H25Z 0.9500 . ?
C227 C226 1.550(14) . ?
C227 H22A 0.9800 . ?
C227 H22B 0.9800 . ?
C227 H22C 0.9800 . ?
C226 C225 1.592(15) . ?
C226 H22D 0.9900 . ?
C226 H22E 0.9900 . ?
C225 C224 1.421(13) . ?
C225 H22F 0.9900 . ?
C225 H22G 0.9900 . ?
C224 C223 1.416(16) . ?
C224 H22Y 0.9900 . ?
C224 H22Z 0.9900 . ?
C223 H22S 0.9800 . ?
C223 H22T 0.9800 . ?
C223 H22U 0.9800 . ?
C40 C41 1.523(6) . ?
C40 C42 1.537(7) . ?
C40 H40 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C46 C51 1.411(7) . ?
C46 C47 1.425(6) . ?
C45 C43 1.507(8) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C44 C43 1.508(11) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C43 H43 1.0000 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C51 C50 1.385(6) . ?
C51 C52 1.529(6) . ?
C50 C49 1.396(7) . ?
C50 H50 0.9500 . ?
C49 C48 1.380(8) . ?
C49 C58 1.526(7) . ?
C48 C47 1.385(7) . ?
C48 H48 0.9500 . ?
C47 C55 1.520(7) . ?
C53 C52 1.527(7) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C52 C54 1.544(6) . ?
C52 H52 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C57 1.531(6) . ?
C55 C56 1.533(8) . ?
C55 H55 1.0000 . ?
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 C59 1.339(13) . ?
C58 C60 1.487(9) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9500 . ?
C59 H59B 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.405(5) . ?
C61 C66 1.406(6) . ?
C62 C63 1.404(5) . ?
C62 C82 1.510(6) . ?
C63 C64 1.383(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.385(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.399(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.499(6) . ?
C69 C68 1.389(6) . ?
C69 C70 1.402(6) . ?
C69 H69 0.9500 . ?
C68 C67 1.414(6) . ?
C68 C73 1.524(5) . ?
C67 C72 1.428(6) . ?
C70 C71 1.369(6) . ?
C70 C79 1.526(6) . ?
C78 C76 1.529(7) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C77 C76 1.532(6) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C76 C72 1.515(6) . ?
C76 H76 1.0000 . ?
C75 C73 1.529(6) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C74 C73 1.539(6) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C73 H73 1.0000 . ?
C72 C71 1.389(6) . ?
C71 H71 0.9500 . ?
C79 C80 1.522(7) . ?
C79 C81 1.526(7) . ?
C79 H79 1.0000 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.407(7) . ?
C82 C87 1.408(6) . ?
C83 C84 1.396(7) . ?
C83 C88 1.514(7) . ?
C84 C85 1.381(8) . ?
C84 H84 0.9500 . ?
C85 C86 1.380(8) . ?
C85 C94 1.530(7) . ?
C86 C87 1.400(7) . ?
C86 H86 0.9500 . ?
C87 C91 1.520(8) . ?
C88 C90 1.531(7) . ?
C88 C89 1.533(6) . ?
C88 H88 1.0000 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.512(8) . ?
C91 C93 1.535(8) . ?
C91 H91 1.0000 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.469(8) . ?
C94 C96 1.500(8) . ?
C94 H94 1.0000 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.403(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pd1 P1 118.04(4) . . ?
P2 Pd1 Sn1 110.41(3) . . ?
P1 Pd1 Sn1 86.46(3) . . ?
P2 Pd1 Sn2 87.45(3) . . ?
P1 Pd1 Sn2 109.23(3) . . ?
Sn1 Pd1 Sn2 147.709(15) . . ?
C6 C1 C2 116.9(4) . . ?
C6 C1 Sn1 118.2(3) . . ?
C2 C1 Sn1 124.8(3) . . ?
C1 Sn1 C25 92.50(14) . . ?
C1 Sn1 Pd1 98.17(10) . . ?
C25 Sn1 Pd1 166.44(11) . . ?
C181 P1 C187 103.3(2) . . ?
C181 P1 C6 103.84(18) . . ?
C187 P1 C6 96.94(18) . . ?
C181 P1 Pd1 116.47(14) . . ?
C187 P1 Pd1 119.74(17) . . ?
C6 P1 Pd1 113.76(14) . . ?
P4 Pd2 P3 111.84(4) . . ?
P4 Pd2 Sn3 118.04(3) . . ?
P3 Pd2 Sn3 84.39(3) . . ?
P4 Pd2 Sn4 84.88(3) . . ?
P3 Pd2 Sn4 120.91(3) . . ?
Sn3 Pd2 Sn4 138.302(14) . . ?
C3 C2 C1 122.1(4) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C7 Sn2 C61 93.35(14) . . ?
C7 Sn2 Pd1 97.57(10) . . ?
C61 Sn2 Pd1 167.01(10) . . ?
C169 P2 C12 104.16(18) . . ?
C169 P2 C175 104.35(19) . . ?
C12 P2 C175 96.01(18) . . ?
C169 P2 Pd1 112.85(13) . . ?
C12 P2 Pd1 113.08(14) . . ?
C175 P2 Pd1 123.71(13) . . ?
C13 Sn3 C133 90.26(14) . . ?
C13 Sn3 Pd2 99.45(10) . . ?
C133 Sn3 Pd2 169.50(11) . . ?
C2 C3 C4 119.8(4) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C205 P3 C211 102.58(19) . . ?
C205 P3 C18 105.07(18) . . ?
C211 P3 C18 94.97(17) . . ?
C205 P3 Pd2 114.81(13) . . ?
C211 P3 Pd2 121.76(14) . . ?
C18 P3 Pd2 114.77(13) . . ?
C19 Sn4 C97 93.56(15) . . ?
C19 Sn4 Pd2 96.81(10) . . ?
C97 Sn4 Pd2 169.33(10) . . ?
C5 C4 C3 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C193 P4 C199 100.9(2) . . ?
C193 P4 C24 105.7(2) . . ?
C199 P4 C24 98.17(18) . . ?
C193 P4 Pd2 117.91(14) . . ?
C199 P4 Pd2 118.71(15) . . ?
C24 P4 Pd2 112.85(14) . . ?
C217 C222 C221 124.7(11) . . ?
C217 C222 H222 117.6 . . ?
C221 C222 H222 117.6 . . ?
C220 C221 C222 105.0(12) . . ?
C220 C221 H221 127.5 . . ?
C222 C221 H221 127.5 . . ?
C221 C220 C219 124.9(13) . . ?
C221 C220 H220 117.6 . . ?
C219 C220 H220 117.6 . . ?
C220 C219 C218 128.7(14) . . ?
C220 C219 H219 115.6 . . ?
C218 C219 H219 115.6 . . ?
C217 C218 C219 111.4(13) . . ?
C217 C218 H218 124.3 . . ?
C219 C218 H218 124.3 . . ?
C218 C217 C222 123.6(13) . . ?
C218 C217 H217 118.2 . . ?
C222 C217 H217 118.2 . . ?
C215 C216 C211 120.7(5) . . ?
C215 C216 H216 119.6 . . ?
C211 C216 H216 119.6 . . ?
C214 C215 C216 120.0(5) . . ?
C214 C215 H215 120.0 . . ?
C216 C215 H215 120.0 . . ?
C213 C214 C215 119.7(5) . . ?
C213 C214 H214 120.1 . . ?
C215 C214 H214 120.1 . . ?
C214 C213 C212 120.6(5) . . ?
C214 C213 H213 119.7 . . ?
C212 C213 H213 119.7 . . ?
C211 C212 C213 120.9(5) . . ?
C211 C212 H212 119.6 . . ?
C213 C212 H212 119.6 . . ?
C212 C211 C216 118.1(4) . . ?
C212 C211 P3 119.8(3) . . ?
C216 C211 P3 121.1(3) . . ?
C209 C210 C205 120.7(4) . . ?
C209 C210 H210 119.7 . . ?
C205 C210 H210 119.7 . . ?
C208 C209 C210 120.1(4) . . ?
C208 C209 H209 119.9 . . ?
C210 C209 H209 119.9 . . ?
C207 C208 C209 119.8(4) . . ?
C207 C208 H208 120.1 . . ?
C209 C208 H208 120.1 . . ?
C208 C207 C206 120.4(4) . . ?
C208 C207 H207 119.8 . . ?
C206 C207 H207 119.8 . . ?
C207 C206 C205 120.7(4) . . ?
C207 C206 H206 119.7 . . ?
C205 C206 H206 119.7 . . ?
C206 C205 C210 118.3(4) . . ?
C206 C205 P3 124.1(3) . . ?
C210 C205 P3 117.5(3) . . ?
C203 C204 C199 120.2(5) . . ?
C203 C204 H204 119.9 . . ?
C199 C204 H204 119.9 . . ?
C202 C203 C204 120.9(5) . . ?
C202 C203 H203 119.6 . . ?
C204 C203 H203 119.6 . . ?
C203 C202 C201 120.0(5) . . ?
C203 C202 H202 120.0 . . ?
C201 C202 H202 120.0 . . ?
C202 C201 C200 119.6(6) . . ?
C202 C201 H201 120.2 . . ?
C200 C201 H201 120.2 . . ?
C199 C200 C201 120.9(5) . . ?
C199 C200 H200 119.5 . . ?
C201 C200 H200 119.5 . . ?
C200 C199 C204 118.3(4) . . ?
C200 C199 P4 119.4(3) . . ?
C204 C199 P4 122.0(4) . . ?
C197 C198 C193 120.7(5) . . ?
C197 C198 H198 119.7 . . ?
C193 C198 H198 119.7 . . ?
C196 C197 C198 119.7(6) . . ?
C196 C197 H197 120.1 . . ?
C198 C197 H197 120.1 . . ?
C195 C196 C197 120.4(5) . . ?
C195 C196 H196 119.8 . . ?
C197 C196 H196 119.8 . . ?
C196 C195 C194 120.2(6) . . ?
C196 C195 H195 119.9 . . ?
C194 C195 H195 119.9 . . ?
C195 C194 C193 120.3(6) . . ?
C195 C194 H194 119.9 . . ?
C193 C194 H194 119.9 . . ?
C198 C193 C194 118.6(5) . . ?
C198 C193 P4 123.5(4) . . ?
C194 C193 P4 117.8(4) . . ?
C187 C192 C191 119.8(6) . . ?
C187 C192 H192 120.1 . . ?
C191 C192 H192 120.1 . . ?
C190 C191 C192 120.7(7) . . ?
C190 C191 H191 119.6 . . ?
C192 C191 H191 119.6 . . ?
C189 C190 C191 119.7(6) . . ?
C189 C190 H190 120.1 . . ?
C191 C190 H190 120.1 . . ?
C190 C189 C188 120.4(7) . . ?
C190 C189 H189 119.8 . . ?
C188 C189 H189 119.8 . . ?
C189 C188 C187 121.3(6) . . ?
C189 C188 H188 119.4 . . ?
C187 C188 H188 119.4 . . ?
C188 C187 C192 118.0(5) . . ?
C188 C187 P1 117.1(4) . . ?
C192 C187 P1 124.5(4) . . ?
C185 C186 C181 120.2(4) . . ?
C185 C186 H186 119.9 . . ?
C181 C186 H186 119.9 . . ?
C184 C185 C186 120.9(4) . . ?
C184 C185 H185 119.6 . . ?
C186 C185 H185 119.6 . . ?
C185 C184 C183 119.3(4) . . ?
C185 C184 H184 120.4 . . ?
C183 C184 H184 120.4 . . ?
C184 C183 C182 120.0(4) . . ?
C184 C183 H183 120.0 . . ?
C182 C183 H183 120.0 . . ?
C181 C182 C183 121.5(4) . . ?
C181 C182 H182 119.2 . . ?
C183 C182 H182 119.2 . . ?
C182 C181 C186 118.0(4) . . ?
C182 C181 P1 122.9(3) . . ?
C186 C181 P1 119.1(3) . . ?
C175 C180 C179 120.7(4) . . ?
C175 C180 H180 119.6 . . ?
C179 C180 H180 119.6 . . ?
C178 C179 C180 120.1(5) . . ?
C178 C179 H179 119.9 . . ?
C180 C179 H179 119.9 . . ?
C179 C178 C177 119.5(4) . . ?
C179 C178 H178 120.2 . . ?
C177 C178 H178 120.2 . . ?
C178 C177 C176 120.2(5) . . ?
C178 C177 H177 119.9 . . ?
C176 C177 H177 119.9 . . ?
C177 C176 C175 120.8(4) . . ?
C177 C176 H176 119.6 . . ?
C175 C176 H176 119.6 . . ?
C180 C175 C176 118.5(4) . . ?
C180 C175 P2 124.7(3) . . ?
C176 C175 P2 116.4(3) . . ?
C173 C174 C169 120.5(4) . . ?
C173 C174 H174 119.8 . . ?
C169 C174 H174 119.8 . . ?
C174 C173 C172 120.7(4) . . ?
C174 C173 H173 119.6 . . ?
C172 C173 H173 119.6 . . ?
C171 C172 C173 119.2(4) . . ?
C171 C172 H172 120.4 . . ?
C173 C172 H172 120.4 . . ?
C170 C171 C172 120.4(4) . . ?
C170 C171 H171 119.8 . . ?
C172 C171 H171 119.8 . . ?
C171 C170 C169 121.1(4) . . ?
C171 C170 H170 119.5 . . ?
C169 C170 H170 119.5 . . ?
C170 C169 C174 118.0(4) . . ?
C170 C169 P2 121.6(3) . . ?
C174 C169 P2 120.1(3) . . ?
C166 C168 H16A 109.5 . . ?
C166 C168 H16B 109.5 . . ?
H16A C168 H16B 109.5 . . ?
C166 C168 H16C 109.5 . . ?
H16A C168 H16C 109.5 . . ?
H16B C168 H16C 109.5 . . ?
C166 C167 H16D 109.5 . . ?
C166 C167 H16E 109.5 . . ?
H16D C167 H16E 109.5 . . ?
C166 C167 H16F 109.5 . . ?
H16D C167 H16F 109.5 . . ?
H16E C167 H16F 109.5 . . ?
C168 C166 C155 114.8(4) . . ?
C168 C166 C167 110.0(5) . . ?
C155 C166 C167 110.4(4) . . ?
C168 C166 H166 107.1 . . ?
C155 C166 H166 107.1 . . ?
C167 C166 H166 107.1 . . ?
C163 C165 H16G 109.5 . . ?
C163 C165 H16H 109.5 . . ?
H16G C165 H16H 109.5 . . ?
C163 C165 H16I 109.5 . . ?
H16G C165 H16I 109.5 . . ?
H16H C165 H16I 109.5 . . ?
C163 C164 H16J 109.5 . . ?
C163 C164 H16K 109.5 . . ?
H16J C164 H16K 109.5 . . ?
C163 C164 H16L 109.5 . . ?
H16J C164 H16L 109.5 . . ?
H16K C164 H16L 109.5 . . ?
C165 C163 C164 109.2(7) . . ?
C165 C163 C157 113.4(5) . . ?
C164 C163 C157 110.9(5) . . ?
C165 C163 H163 107.7 . . ?
C164 C163 H163 107.7 . . ?
C157 C163 H163 107.7 . . ?
C160 C162 H16M 109.5 . . ?
C160 C162 H16N 109.5 . . ?
H16M C162 H16N 109.5 . . ?
C160 C162 H16O 109.5 . . ?
H16M C162 H16O 109.5 . . ?
H16N C162 H16O 109.5 . . ?
C160 C161 H16P 109.5 . . ?
C160 C161 H16Q 109.5 . . ?
H16P C161 H16Q 109.5 . . ?
C160 C161 H16R 109.5 . . ?
H16P C161 H16R 109.5 . . ?
H16Q C161 H16R 109.5 . . ?
C159 C160 C161 110.5(4) . . ?
C159 C160 C162 112.6(4) . . ?
C161 C160 C162 111.1(4) . . ?
C159 C160 H160 107.5 . . ?
C161 C160 H160 107.5 . . ?
C162 C160 H160 107.5 . . ?
C158 C159 C154 118.9(4) . . ?
C158 C159 C160 118.9(4) . . ?
C154 C159 C160 122.2(4) . . ?
C157 C158 C159 122.1(5) . . ?
C157 C158 H158 118.9 . . ?
C159 C158 H158 118.9 . . ?
C158 C157 C156 118.0(4) . . ?
C158 C157 C163 122.2(5) . . ?
C156 C157 C163 119.9(4) . . ?
C155 C156 C157 122.5(5) . . ?
C155 C156 H156 118.8 . . ?
C157 C156 H156 118.8 . . ?
C156 C155 C154 118.5(4) . . ?
C156 C155 C166 120.5(4) . . ?
C154 C155 C166 120.9(4) . . ?
C159 C154 C155 120.0(4) . . ?
C159 C154 C134 122.5(4) . . ?
C155 C154 C134 117.4(4) . . ?
C151 C153 H15A 109.5 . . ?
C151 C153 H15B 109.5 . . ?
H15A C153 H15B 109.5 . . ?
C151 C153 H15C 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C151 C152 H15D 109.5 . . ?
C151 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C151 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C153 C151 C152 110.5(4) . . ?
C153 C151 C144 114.0(4) . . ?
C152 C151 C144 110.4(3) . . ?
C153 C151 H151 107.2 . . ?
C152 C151 H151 107.2 . . ?
C144 C151 H151 107.2 . . ?
C148 C150 H15G 109.5 . . ?
C148 C150 H15H 109.5 . . ?
H15G C150 H15H 109.5 . . ?
C148 C150 H15I 109.5 . . ?
H15G C150 H15I 109.5 . . ?
H15H C150 H15I 109.5 . . ?
C148 C149 H14A 109.5 . . ?
C148 C149 H14B 109.5 . . ?
H14A C149 H14B 109.5 . . ?
C148 C149 H14C 109.5 . . ?
H14A C149 H14C 109.5 . . ?
H14B C149 H14C 109.5 . . ?
C150 C148 C142 115.0(5) . . ?
C150 C148 C149 109.2(5) . . ?
C142 C148 C149 109.8(4) . . ?
C150 C148 H148 107.5 . . ?
C142 C148 H148 107.5 . . ?
C149 C148 H148 107.5 . . ?
C145 C147 H14D 109.5 . . ?
C145 C147 H14E 109.5 . . ?
H14D C147 H14E 109.5 . . ?
C145 C147 H14F 109.5 . . ?
H14D C147 H14F 109.5 . . ?
H14E C147 H14F 109.5 . . ?
C145 C146 H14G 109.5 . . ?
C145 C146 H14H 109.5 . . ?
H14G C146 H14H 109.5 . . ?
C145 C146 H14I 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
C140 C145 C147 111.0(4) . . ?
C140 C145 C146 111.8(4) . . ?
C147 C145 C146 110.3(4) . . ?
C140 C145 H145 107.9 . . ?
C147 C145 H145 107.9 . . ?
C146 C145 H145 107.9 . . ?
C143 C144 C139 119.7(4) . . ?
C143 C144 C151 119.1(4) . . ?
C139 C144 C151 121.0(4) . . ?
C144 C143 C142 122.2(4) . . ?
C144 C143 H143 118.9 . . ?
C142 C143 H143 118.9 . . ?
C143 C142 C141 117.1(4) . . ?
C143 C142 C148 122.3(4) . . ?
C141 C142 C148 120.5(4) . . ?
C140 C141 C142 123.0(4) . . ?
C140 C141 H141 118.5 . . ?
C142 C141 H141 118.5 . . ?
C141 C140 C139 118.9(4) . . ?
C141 C140 C145 119.2(4) . . ?
C139 C140 C145 121.8(4) . . ?
C140 C139 C144 118.9(4) . . ?
C140 C139 C138 120.6(4) . . ?
C144 C139 C138 120.0(4) . . ?
C133 C138 C137 118.3(4) . . ?
C133 C138 C139 123.9(3) . . ?
C137 C138 C139 117.6(4) . . ?
C136 C137 C138 120.9(4) . . ?
C136 C137 H137 119.5 . . ?
C138 C137 H137 119.5 . . ?
C135 C136 C137 120.1(4) . . ?
C135 C136 H136 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C135 C134 120.2(4) . . ?
C136 C135 H135 119.9 . . ?
C134 C135 H135 119.9 . . ?
C135 C134 C133 120.2(4) . . ?
C135 C134 C154 121.0(4) . . ?
C133 C134 C154 118.6(4) . . ?
C134 C133 C138 120.1(4) . . ?
C134 C133 Sn3 119.6(3) . . ?
C138 C133 Sn3 120.0(3) . . ?
C130 C132 H13A 109.5 . . ?
C130 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C130 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C130 C131 H13D 109.5 . . ?
C130 C131 H13E 109.5 . . ?
H13D C131 H13E 109.5 . . ?
C130 C131 H13F 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C131 C130 C132 111.9(4) . . ?
C131 C130 C121 114.2(4) . . ?
C132 C130 C121 108.0(4) . . ?
C131 C130 H130 107.5 . . ?
C132 C130 H130 107.5 . . ?
C121 C130 H130 107.5 . . ?
C127 C129 H12A 109.5 . . ?
C127 C129 H12B 109.5 . . ?
H12A C129 H12B 109.5 . . ?
C127 C129 H12C 109.5 . . ?
H12A C129 H12C 109.5 . . ?
H12B C129 H12C 109.5 . . ?
C127 C128 H12D 109.5 . . ?
C127 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C127 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C128 C127 C129 110.5(6) . . ?
C128 C127 C119 110.1(5) . . ?
C129 C127 C119 114.3(5) . . ?
C128 C127 H127 107.2 . . ?
C129 C127 H127 107.2 . . ?
C119 C127 H127 107.2 . . ?
C124 C126 H12G 109.5 . . ?
C124 C126 H12H 109.5 . . ?
H12G C126 H12H 109.5 . . ?
C124 C126 H12I 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
C124 C125 H12J 109.5 . . ?
C124 C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C124 C125 H12L 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C123 C124 C125 111.5(4) . . ?
C123 C124 C126 110.9(4) . . ?
C125 C124 C126 111.0(4) . . ?
C123 C124 H124 107.8 . . ?
C125 C124 H124 107.8 . . ?
C126 C124 H124 107.8 . . ?
C122 C123 C118 119.3(4) . . ?
C122 C123 C124 117.7(4) . . ?
C118 C123 C124 123.0(4) . . ?
C121 C122 C123 122.0(4) . . ?
C121 C122 H122 119.0 . . ?
C123 C122 H122 119.0 . . ?
C122 C121 C120 117.9(4) . . ?
C122 C121 C130 122.5(4) . . ?
C120 C121 C130 119.4(4) . . ?
C121 C120 C119 123.0(4) . . ?
C121 C120 H120 118.5 . . ?
C119 C120 H120 118.5 . . ?
C120 C119 C118 118.2(4) . . ?
C120 C119 C127 119.6(4) . . ?
C118 C119 C127 121.9(4) . . ?
C123 C118 C119 119.6(4) . . ?
C123 C118 C98 122.3(4) . . ?
C119 C118 C98 118.0(4) . . ?
C115 C117 H11A 109.5 . . ?
C115 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
C115 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C115 C116 H11D 120.0 . . ?
C115 C116 H11E 120.0 . . ?
H11D C116 H11E 120.0 . . ?
C116 C115 C117 123.5(9) . . ?
C116 C115 C106 114.7(8) . . ?
C117 C115 C106 116.7(9) . . ?
C116 C115 H115 97.5 . . ?
C117 C115 H115 97.5 . . ?
C106 C115 H115 97.5 . . ?
C112 C114 H11F 109.5 . . ?
C112 C114 H11G 109.5 . . ?
H11F C114 H11G 109.5 . . ?
C112 C114 H11H 109.5 . . ?
H11F C114 H11H 109.5 . . ?
H11G C114 H11H 109.5 . . ?
C112 C113 H11I 109.5 . . ?
C112 C113 H11J 109.5 . . ?
H11I C113 H11J 109.5 . . ?
C112 C113 H11K 109.5 . . ?
H11I C113 H11K 109.5 . . ?
H11J C113 H11K 109.5 . . ?
C108 C112 C113 113.1(4) . . ?
C108 C112 C114 109.9(4) . . ?
C113 C112 C114 110.5(4) . . ?
C108 C112 H112 107.7 . . ?
C113 C112 H112 107.7 . . ?
C114 C112 H112 107.7 . . ?
C109 C111 H11L 109.5 . . ?
C109 C111 H11M 109.5 . . ?
H11L C111 H11M 109.5 . . ?
C109 C111 H11N 109.5 . . ?
H11L C111 H11N 109.5 . . ?
H11M C111 H11N 109.5 . . ?
C109 C110 H11O 109.5 . . ?
C109 C110 H11P 109.5 . . ?
H11O C110 H11P 109.5 . . ?
C109 C110 H11Q 109.5 . . ?
H11O C110 H11Q 109.5 . . ?
H11P C110 H11Q 109.5 . . ?
C111 C109 C110 110.9(5) . . ?
C111 C109 C104 111.7(5) . . ?
C110 C109 C104 113.7(5) . . ?
C111 C109 H109 106.7 . . ?
C110 C109 H109 106.7 . . ?
C104 C109 H109 106.7 . . ?
C107 C108 C103 118.7(5) . . ?
C107 C108 C112 120.4(5) . . ?
C103 C108 C112 120.6(4) . . ?
C106 C107 C108 121.4(6) . . ?
C106 C107 H107 119.3 . . ?
C108 C107 H107 119.3 . . ?
C105 C106 C107 118.7(6) . . ?
C105 C106 C115 120.2(8) . . ?
C107 C106 C115 121.1(8) . . ?
C106 C105 C104 122.0(6) . . ?
C106 C105 H105 119.0 . . ?
C104 C105 H105 119.0 . . ?
C105 C104 C103 119.5(5) . . ?
C105 C104 C109 118.6(5) . . ?
C103 C104 C109 121.7(5) . . ?
C108 C103 C104 119.7(5) . . ?
C108 C103 C102 122.2(4) . . ?
C104 C103 C102 118.0(4) . . ?
C101 C102 C97 119.6(4) . . ?
C101 C102 C103 118.0(4) . . ?
C97 C102 C103 122.0(4) . . ?
C100 C101 C102 121.4(4) . . ?
C100 C101 H101 119.3 . . ?
C102 C101 H101 119.3 . . ?
C101 C100 C99 119.4(4) . . ?
C101 C100 H100 120.3 . . ?
C99 C100 H100 120.3 . . ?
C100 C99 C98 120.0(4) . . ?
C100 C99 H99 120.0 . . ?
C98 C99 H99 120.0 . . ?
C12 C7 C8 117.6(4) . . ?
C12 C7 Sn2 118.1(3) . . ?
C8 C7 Sn2 124.3(3) . . ?
C5 C6 C1 121.1(4) . . ?
C5 C6 P1 120.2(3) . . ?
C1 C6 P1 118.3(3) . . ?
C4 C5 C6 120.6(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C9 C8 C7 121.9(4) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 119.8(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 119.5(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 120.9(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 120.3(4) . . ?
C11 C12 P2 119.9(3) . . ?
C7 C12 P2 119.7(3) . . ?
C18 C13 C14 117.6(4) . . ?
C18 C13 Sn3 117.8(3) . . ?
C14 C13 Sn3 124.5(3) . . ?
C15 C14 C13 121.6(4) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 120.2(4) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.6(4) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 120.3(4) . . ?
C17 C18 P3 122.2(3) . . ?
C13 C18 P3 116.6(3) . . ?
C20 C19 C24 117.6(4) . . ?
C20 C19 Sn4 124.1(3) . . ?
C24 C19 Sn4 118.3(3) . . ?
C21 C20 C19 121.8(4) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.5(4) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C22 C23 C24 120.2(4) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 120.5(4) . . ?
C23 C24 P4 121.8(3) . . ?
C19 C24 P4 117.5(3) . . ?
C29 C28 C27 120.1(4) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C27 C26 120.8(4) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C25 C26 C27 119.5(4) . . ?
C25 C26 C31 123.4(3) . . ?
C27 C26 C31 117.0(4) . . ?
C26 C25 C30 118.9(3) . . ?
C26 C25 Sn1 128.5(3) . . ?
C30 C25 Sn1 112.2(3) . . ?
C28 C29 C30 120.4(4) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 120.0(4) . . ?
C29 C30 C46 119.2(4) . . ?
C25 C30 C46 120.6(3) . . ?
C36 C31 C32 119.1(4) . . ?
C36 C31 C26 122.1(4) . . ?
C32 C31 C26 118.5(4) . . ?
C33 C32 C31 118.7(5) . . ?
C33 C32 C40 119.5(4) . . ?
C31 C32 C40 121.7(4) . . ?
C34 C33 C32 123.0(5) . . ?
C34 C33 H33 118.5 . . ?
C32 C33 H33 118.5 . . ?
C35 C36 C31 119.4(4) . . ?
C35 C36 C37 118.7(4) . . ?
C31 C36 C37 121.8(4) . . ?
C34 C35 C36 122.2(5) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C33 C34 C35 117.6(5) . . ?
C33 C34 C43 120.8(5) . . ?
C35 C34 C43 121.6(5) . . ?
C36 C37 C38 111.5(4) . . ?
C36 C37 C39 110.9(4) . . ?
C38 C37 C39 110.5(4) . . ?
C36 C37 H37 107.9 . . ?
C38 C37 H37 107.9 . . ?
C39 C37 H37 107.9 . . ?
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 . . ?
C250 C252 C251 137(4) 3_567 . ?
C250 C252 H25X 111.3 3_567 . ?
C251 C252 H25X 111.3 . . ?
C250 C251 C252 115(3) . . ?
C250 C251 H25Y 122.4 . . ?
C252 C251 H25Y 122.4 . . ?
C252 C250 C251 107(3) 3_567 . ?
C252 C250 H25Z 126.3 3_567 . ?
C251 C250 H25Z 126.3 . . ?
C226 C227 H22A 109.5 . . ?
C226 C227 H22B 109.5 . . ?
H22A C227 H22B 109.5 . . ?
C226 C227 H22C 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C227 C226 C225 119.3(16) . . ?
C227 C226 H22D 107.5 . . ?
C225 C226 H22D 107.5 . . ?
C227 C226 H22E 107.5 . . ?
C225 C226 H22E 107.5 . . ?
H22D C226 H22E 107.0 . . ?
C224 C225 C226 109.2(13) . . ?
C224 C225 H22F 109.8 . . ?
C226 C225 H22F 109.8 . . ?
C224 C225 H22G 109.8 . . ?
C226 C225 H22G 109.8 . . ?
H22F C225 H22G 108.3 . . ?
C223 C224 C225 111.6(14) . . ?
C223 C224 H22Y 109.3 . . ?
C225 C224 H22Y 109.3 . . ?
C223 C224 H22Z 109.3 . . ?
C225 C224 H22Z 109.3 . . ?
H22Y C224 H22Z 108.0 . . ?
C224 C223 H22S 109.5 . . ?
C224 C223 H22T 109.5 . . ?
H22S C223 H22T 109.5 . . ?
C224 C223 H22U 109.5 . . ?
H22S C223 H22U 109.5 . . ?
H22T C223 H22U 109.5 . . ?
C32 C40 C41 112.0(4) . . ?
C32 C40 C42 110.5(4) . . ?
C41 C40 C42 109.8(4) . . ?
C32 C40 H40 108.1 . . ?
C41 C40 H40 108.1 . . ?
C42 C40 H40 108.1 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C51 C46 C47 119.1(4) . . ?
C51 C46 C30 121.2(4) . . ?
C47 C46 C30 119.5(4) . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 C43 C44 110.8(6) . . ?
C45 C43 C34 110.4(5) . . ?
C44 C43 C34 113.5(5) . . ?
C45 C43 H43 107.3 . . ?
C44 C43 H43 107.3 . . ?
C34 C43 H43 107.3 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C50 C51 C46 119.5(4) . . ?
C50 C51 C52 118.6(4) . . ?
C46 C51 C52 121.8(4) . . ?
C51 C50 C49 121.8(5) . . ?
C51 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C48 C49 C50 118.2(5) . . ?
C48 C49 C58 120.5(5) . . ?
C50 C49 C58 121.3(5) . . ?
C49 C48 C47 122.5(5) . . ?
C49 C48 H48 118.7 . . ?
C47 C48 H48 118.7 . . ?
C48 C47 C46 118.8(5) . . ?
C48 C47 C55 119.5(4) . . ?
C46 C47 C55 121.5(4) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C53 C52 C51 112.4(4) . . ?
C53 C52 C54 110.3(4) . . ?
C51 C52 C54 110.8(4) . . ?
C53 C52 H52 107.7 . . ?
C51 C52 H52 107.7 . . ?
C54 C52 H52 107.7 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C47 C55 C57 114.1(5) . . ?
C47 C55 C56 110.7(4) . . ?
C57 C55 C56 110.2(5) . . ?
C47 C55 H55 107.2 . . ?
C57 C55 H55 107.2 . . ?
C56 C55 H55 107.2 . . ?
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 . . ?
C59 C58 C60 116.3(8) . . ?
C59 C58 C49 117.8(7) . . ?
C60 C58 C49 114.4(6) . . ?
C59 C58 H58 101.4 . . ?
C60 C58 H58 101.4 . . ?
C49 C58 H58 101.4 . . ?
C58 C59 H59A 120.0 . . ?
C58 C59 H59B 120.0 . . ?
H59A C59 H59B 120.0 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C66 119.3(3) . . ?
C62 C61 Sn2 130.5(3) . . ?
C66 C61 Sn2 110.0(3) . . ?
C63 C62 C61 119.4(4) . . ?
C63 C62 C82 117.0(4) . . ?
C61 C62 C82 123.5(3) . . ?
C64 C63 C62 120.7(4) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C63 C64 C65 120.2(4) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C64 C65 C66 120.1(4) . . ?
C64 C65 H65 119.9 . . ?
C66 C65 H65 119.9 . . ?
C65 C66 C61 120.1(4) . . ?
C65 C66 C67 117.7(4) . . ?
C61 C66 C67 122.1(3) . . ?
C68 C69 C70 122.0(4) . . ?
C68 C69 H69 119.0 . . ?
C70 C69 H69 119.0 . . ?
C69 C68 C67 119.1(4) . . ?
C69 C68 C73 119.3(4) . . ?
C67 C68 C73 121.5(4) . . ?
C68 C67 C72 119.2(4) . . ?
C68 C67 C66 121.4(4) . . ?
C72 C67 C66 119.1(4) . . ?
C71 C70 C69 118.0(4) . . ?
C71 C70 C79 120.7(4) . . ?
C69 C70 C79 121.2(4) . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C72 C76 C78 110.3(4) . . ?
C72 C76 C77 113.1(4) . . ?
C78 C76 C77 109.6(4) . . ?
C72 C76 H76 107.9 . . ?
C78 C76 H76 107.9 . . ?
C77 C76 H76 107.9 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C68 C73 C75 111.1(3) . . ?
C68 C73 C74 112.3(3) . . ?
C75 C73 C74 109.7(4) . . ?
C68 C73 H73 107.9 . . ?
C75 C73 H73 107.9 . . ?
C74 C73 H73 107.9 . . ?
C71 C72 C67 118.4(4) . . ?
C71 C72 C76 119.3(4) . . ?
C67 C72 C76 122.1(4) . . ?
C70 C71 C72 123.2(4) . . ?
C70 C71 H71 118.4 . . ?
C72 C71 H71 118.4 . . ?
C80 C79 C70 113.6(4) . . ?
C80 C79 C81 109.8(4) . . ?
C70 C79 C81 111.1(4) . . ?
C80 C79 H79 107.3 . . ?
C70 C79 H79 107.3 . . ?
C81 C79 H79 107.3 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 C87 120.0(4) . . ?
C83 C82 C62 120.9(4) . . ?
C87 C82 C62 118.6(4) . . ?
C84 C83 C82 118.6(5) . . ?
C84 C83 C88 118.8(4) . . ?
C82 C83 C88 122.5(4) . . ?
C85 C84 C83 122.4(5) . . ?
C85 C84 H84 118.8 . . ?
C83 C84 H84 118.8 . . ?
C86 C85 C84 118.1(5) . . ?
C86 C85 C94 121.1(5) . . ?
C84 C85 C94 120.7(5) . . ?
C85 C86 C87 122.4(5) . . ?
C85 C86 H86 118.8 . . ?
C87 C86 H86 118.8 . . ?
C86 C87 C82 118.4(5) . . ?
C86 C87 C91 119.8(5) . . ?
C82 C87 C91 121.6(4) . . ?
C83 C88 C90 110.9(4) . . ?
C83 C88 C89 112.1(4) . . ?
C90 C88 C89 109.9(4) . . ?
C83 C88 H88 107.9 . . ?
C90 C88 H88 107.9 . . ?
C89 C88 H88 107.9 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 C87 112.7(5) . . ?
C92 C91 C93 109.4(5) . . ?
C87 C91 C93 110.8(5) . . ?
C92 C91 H91 107.9 . . ?
C87 C91 H91 107.9 . . ?
C93 C91 H91 107.9 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 C96 115.4(6) . . ?
C95 C94 C85 113.7(5) . . ?
C96 C94 C85 110.8(5) . . ?
C95 C94 H94 105.3 . . ?
C96 C94 H94 105.3 . . ?
C85 C94 H94 105.3 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C102 118.6(4) . . ?
C98 C97 Sn4 115.5(3) . . ?
C102 C97 Sn4 125.8(3) . . ?
C99 C98 C97 120.8(4) . . ?
C99 C98 C118 118.3(4) . . ?
C97 C98 C118 120.6(4) . . ?

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
C6 C1 C2 C3 0.8(6) . . . . ?
Sn1 C1 C2 C3 178.8(3) . . . . ?
C1 C2 C3 C4 -2.2(7) . . . . ?
C2 C3 C4 C5 0.5(7) . . . . ?
C217 C222 C221 C220 -6.2(13) . . . . ?
C222 C221 C220 C219 13.8(14) . . . . ?
C221 C220 C219 C218 -16.0(18) . . . . ?
C220 C219 C218 C217 5.7(16) . . . . ?
C219 C218 C217 C222 2.5(14) . . . . ?
C221 C222 C217 C218 -1.7(16) . . . . ?
C211 C216 C215 C214 -0.5(8) . . . . ?
C216 C215 C214 C213 -1.6(8) . . . . ?
C215 C214 C213 C212 2.1(8) . . . . ?
C214 C213 C212 C211 -0.4(8) . . . . ?
C213 C212 C211 C216 -1.7(7) . . . . ?
C213 C212 C211 P3 167.1(4) . . . . ?
C215 C216 C211 C212 2.1(7) . . . . ?
C215 C216 C211 P3 -166.5(4) . . . . ?
C205 P3 C211 C212 157.2(4) . . . . ?
C18 P3 C211 C212 -96.2(4) . . . . ?
Pd2 P3 C211 C212 27.1(4) . . . . ?
C205 P3 C211 C216 -34.4(4) . . . . ?
C18 P3 C211 C216 72.3(4) . . . . ?
Pd2 P3 C211 C216 -164.5(3) . . . . ?
C205 C210 C209 C208 0.1(7) . . . . ?
C210 C209 C208 C207 1.3(7) . . . . ?
C209 C208 C207 C206 -0.9(7) . . . . ?
C208 C207 C206 C205 -1.0(7) . . . . ?
C207 C206 C205 C210 2.4(6) . . . . ?
C207 C206 C205 P3 178.8(3) . . . . ?
C209 C210 C205 C206 -1.9(7) . . . . ?
C209 C210 C205 P3 -178.6(4) . . . . ?
C211 P3 C205 C206 124.4(4) . . . . ?
C18 P3 C205 C206 25.7(4) . . . . ?
Pd2 P3 C205 C206 -101.4(3) . . . . ?
C211 P3 C205 C210 -59.1(4) . . . . ?
C18 P3 C205 C210 -157.9(3) . . . . ?
Pd2 P3 C205 C210 75.1(3) . . . . ?
C199 C204 C203 C202 -1.3(8) . . . . ?
C204 C203 C202 C201 -0.3(8) . . . . ?
C203 C202 C201 C200 0.8(8) . . . . ?
C202 C201 C200 C199 0.2(8) . . . . ?
C201 C200 C199 C204 -1.6(7) . . . . ?
C201 C200 C199 P4 173.0(4) . . . . ?
C203 C204 C199 C200 2.2(7) . . . . ?
C203 C204 C199 P4 -172.3(4) . . . . ?
C193 P4 C199 C200 140.5(4) . . . . ?
C24 P4 C199 C200 -111.7(4) . . . . ?
Pd2 P4 C199 C200 10.0(4) . . . . ?
C193 P4 C199 C204 -45.2(4) . . . . ?
C24 P4 C199 C204 62.7(4) . . . . ?
Pd2 P4 C199 C204 -175.6(3) . . . . ?
C193 C198 C197 C196 -2.4(8) . . . . ?
C198 C197 C196 C195 -1.1(9) . . . . ?
C197 C196 C195 C194 2.9(10) . . . . ?
C196 C195 C194 C193 -1.1(11) . . . . ?
C197 C198 C193 C194 4.1(7) . . . . ?
C197 C198 C193 P4 179.7(4) . . . . ?
C195 C194 C193 C198 -2.3(9) . . . . ?
C195 C194 C193 P4 -178.2(5) . . . . ?
C199 P4 C193 C198 133.3(4) . . . . ?
C24 P4 C193 C198 31.5(4) . . . . ?
Pd2 P4 C193 C198 -95.7(4) . . . . ?
C199 P4 C193 C194 -51.1(5) . . . . ?
C24 P4 C193 C194 -152.9(4) . . . . ?
Pd2 P4 C193 C194 79.9(5) . . . . ?
C187 C192 C191 C190 0.8(9) . . . . ?
C192 C191 C190 C189 -0.3(10) . . . . ?
C191 C190 C189 C188 0.3(10) . . . . ?
C190 C189 C188 C187 -0.8(10) . . . . ?
C189 C188 C187 C192 1.3(8) . . . . ?
C189 C188 C187 P1 -171.7(5) . . . . ?
C191 C192 C187 C188 -1.3(7) . . . . ?
C191 C192 C187 P1 171.2(4) . . . . ?
C181 P1 C187 C188 -170.5(4) . . . . ?
C6 P1 C187 C188 83.4(4) . . . . ?
Pd1 P1 C187 C188 -39.0(4) . . . . ?
C181 P1 C187 C192 17.0(4) . . . . ?
C6 P1 C187 C192 -89.0(4) . . . . ?
Pd1 P1 C187 C192 148.5(4) . . . . ?
C181 C186 C185 C184 -1.2(8) . . . . ?
C186 C185 C184 C183 -1.7(8) . . . . ?
C185 C184 C183 C182 1.6(7) . . . . ?
C184 C183 C182 C181 1.4(7) . . . . ?
C183 C182 C181 C186 -4.2(7) . . . . ?
C183 C182 C181 P1 179.4(3) . . . . ?
C185 C186 C181 C182 4.0(7) . . . . ?
C185 C186 C181 P1 -179.4(4) . . . . ?
C187 P1 C181 C182 -127.7(4) . . . . ?
C6 P1 C181 C182 -27.0(4) . . . . ?
Pd1 P1 C181 C182 98.9(4) . . . . ?
C187 P1 C181 C186 55.9(4) . . . . ?
C6 P1 C181 C186 156.6(4) . . . . ?
Pd1 P1 C181 C186 -77.5(4) . . . . ?
C175 C180 C179 C178 -0.6(7) . . . . ?
C180 C179 C178 C177 1.4(7) . . . . ?
C179 C178 C177 C176 -0.3(7) . . . . ?
C178 C177 C176 C175 -1.7(7) . . . . ?
C179 C180 C175 C176 -1.4(6) . . . . ?
C179 C180 C175 P2 170.9(4) . . . . ?
C177 C176 C175 C180 2.5(6) . . . . ?
C177 C176 C175 P2 -170.4(3) . . . . ?
C169 P2 C175 C180 9.7(4) . . . . ?
C12 P2 C175 C180 -96.6(4) . . . . ?
Pd1 P2 C175 C180 140.4(3) . . . . ?
C169 P2 C175 C176 -177.8(3) . . . . ?
C12 P2 C175 C176 75.8(3) . . . . ?
Pd1 P2 C175 C176 -47.1(4) . . . . ?
C169 C174 C173 C172 -1.8(7) . . . . ?
C174 C173 C172 C171 -0.5(7) . . . . ?
C173 C172 C171 C170 0.7(7) . . . . ?
C172 C171 C170 C169 1.4(7) . . . . ?
C171 C170 C169 C174 -3.6(6) . . . . ?
C171 C170 C169 P2 -177.4(3) . . . . ?
C173 C174 C169 C170 3.8(6) . . . . ?
C173 C174 C169 P2 177.6(3) . . . . ?
C12 P2 C169 C170 -27.6(4) . . . . ?
C175 P2 C169 C170 -127.7(3) . . . . ?
Pd1 P2 C169 C170 95.4(3) . . . . ?
C12 P2 C169 C174 158.7(3) . . . . ?
C175 P2 C169 C174 58.6(4) . . . . ?
Pd1 P2 C169 C174 -78.2(3) . . . . ?
C161 C160 C159 C158 -75.2(6) . . . . ?
C162 C160 C159 C158 49.7(6) . . . . ?
C161 C160 C159 C154 102.1(5) . . . . ?
C162 C160 C159 C154 -133.0(5) . . . . ?
C154 C159 C158 C157 -1.3(7) . . . . ?
C160 C159 C158 C157 176.0(4) . . . . ?
C159 C158 C157 C156 -0.5(7) . . . . ?
C159 C158 C157 C163 179.4(4) . . . . ?
C165 C163 C157 C158 9.8(9) . . . . ?
C164 C163 C157 C158 133.1(7) . . . . ?
C165 C163 C157 C156 -170.3(7) . . . . ?
C164 C163 C157 C156 -47.0(8) . . . . ?
C158 C157 C156 C155 0.5(8) . . . . ?
C163 C157 C156 C155 -179.4(5) . . . . ?
C157 C156 C155 C154 1.2(8) . . . . ?
C157 C156 C155 C166 -175.5(5) . . . . ?
C168 C166 C155 C156 -36.7(7) . . . . ?
C167 C166 C155 C156 88.3(6) . . . . ?
C168 C166 C155 C154 146.7(5) . . . . ?
C167 C166 C155 C154 -88.3(5) . . . . ?
C158 C159 C154 C155 3.1(6) . . . . ?
C160 C159 C154 C155 -174.2(4) . . . . ?
C158 C159 C154 C134 -177.4(4) . . . . ?
C160 C159 C154 C134 5.3(7) . . . . ?
C156 C155 C154 C159 -3.0(7) . . . . ?
C166 C155 C154 C159 173.6(4) . . . . ?
C156 C155 C154 C134 177.4(4) . . . . ?
C166 C155 C154 C134 -5.9(6) . . . . ?
C153 C151 C144 C143 39.2(5) . . . . ?
C152 C151 C144 C143 -85.8(5) . . . . ?
C153 C151 C144 C139 -146.3(4) . . . . ?
C152 C151 C144 C139 88.6(5) . . . . ?
C139 C144 C143 C142 0.1(6) . . . . ?
C151 C144 C143 C142 174.6(4) . . . . ?
C144 C143 C142 C141 3.1(6) . . . . ?
C144 C143 C142 C148 -173.8(4) . . . . ?
C150 C148 C142 C143 -14.3(7) . . . . ?
C149 C148 C142 C143 109.3(5) . . . . ?
C150 C148 C142 C141 168.9(5) . . . . ?
C149 C148 C142 C141 -67.5(6) . . . . ?
C143 C142 C141 C140 -2.4(6) . . . . ?
C148 C142 C141 C140 174.5(4) . . . . ?
C142 C141 C140 C139 -1.4(6) . . . . ?
C142 C141 C140 C145 178.7(4) . . . . ?
C147 C145 C140 C141 -59.1(5) . . . . ?
C146 C145 C140 C141 64.6(5) . . . . ?
C147 C145 C140 C139 121.1(4) . . . . ?
C146 C145 C140 C139 -115.3(5) . . . . ?
C141 C140 C139 C144 4.7(6) . . . . ?
C145 C140 C139 C144 -175.5(4) . . . . ?
C141 C140 C139 C138 -167.0(4) . . . . ?
C145 C140 C139 C138 12.8(6) . . . . ?
C143 C144 C139 C140 -4.0(6) . . . . ?
C151 C144 C139 C140 -178.4(4) . . . . ?
C143 C144 C139 C138 167.7(4) . . . . ?
C151 C144 C139 C138 -6.7(6) . . . . ?
C140 C139 C138 C133 -121.4(4) . . . . ?
C144 C139 C138 C133 67.0(5) . . . . ?
C140 C139 C138 C137 63.2(5) . . . . ?
C144 C139 C138 C137 -108.4(4) . . . . ?
C133 C138 C137 C136 -0.5(6) . . . . ?
C139 C138 C137 C136 175.1(4) . . . . ?
C138 C137 C136 C135 -2.3(7) . . . . ?
C137 C136 C135 C134 2.1(7) . . . . ?
C136 C135 C134 C133 1.0(6) . . . . ?
C136 C135 C134 C154 -174.7(4) . . . . ?
C159 C154 C134 C135 -79.1(6) . . . . ?
C155 C154 C134 C135 100.5(5) . . . . ?
C159 C154 C134 C133 105.2(5) . . . . ?
C155 C154 C134 C133 -75.3(5) . . . . ?
C135 C134 C133 C138 -3.9(6) . . . . ?
C154 C134 C133 C138 171.9(4) . . . . ?
C135 C134 C133 Sn3 170.3(3) . . . . ?
C154 C134 C133 Sn3 -13.9(5) . . . . ?
C137 C138 C133 C134 3.6(6) . . . . ?
C139 C138 C133 C134 -171.7(4) . . . . ?
C137 C138 C133 Sn3 -170.6(3) . . . . ?
C139 C138 C133 Sn3 14.1(5) . . . . ?
C125 C124 C123 C122 52.1(6) . . . . ?
C126 C124 C123 C122 -72.1(5) . . . . ?
C125 C124 C123 C118 -129.8(5) . . . . ?
C126 C124 C123 C118 106.0(5) . . . . ?
C118 C123 C122 C121 0.1(7) . . . . ?
C124 C123 C122 C121 178.3(4) . . . . ?
C123 C122 C121 C120 -0.5(7) . . . . ?
C123 C122 C121 C130 -175.4(4) . . . . ?
C131 C130 C121 C122 -27.9(6) . . . . ?
C132 C130 C121 C122 97.3(5) . . . . ?
C131 C130 C121 C120 157.3(4) . . . . ?
C132 C130 C121 C120 -77.5(5) . . . . ?
C122 C121 C120 C119 -0.2(7) . . . . ?
C130 C121 C120 C119 174.9(4) . . . . ?
C121 C120 C119 C118 1.2(7) . . . . ?
C121 C120 C119 C127 -172.8(4) . . . . ?
C128 C127 C119 C120 83.3(7) . . . . ?
C129 C127 C119 C120 -41.7(7) . . . . ?
C128 C127 C119 C118 -90.4(7) . . . . ?
C129 C127 C119 C118 144.5(5) . . . . ?
C122 C123 C118 C119 1.0(6) . . . . ?
C124 C123 C118 C119 -177.1(4) . . . . ?
C122 C123 C118 C98 177.3(4) . . . . ?
C124 C123 C118 C98 -0.8(6) . . . . ?
C120 C119 C118 C123 -1.6(6) . . . . ?
C127 C119 C118 C123 172.2(4) . . . . ?
C120 C119 C118 C98 -178.0(4) . . . . ?
C127 C119 C118 C98 -4.2(6) . . . . ?
C113 C112 C108 C107 -45.7(6) . . . . ?
C114 C112 C108 C107 78.3(6) . . . . ?
C113 C112 C108 C103 141.7(5) . . . . ?
C114 C112 C108 C103 -94.3(6) . . . . ?
C103 C108 C107 C106 0.3(8) . . . . ?
C112 C108 C107 C106 -172.5(5) . . . . ?
C108 C107 C106 C105 1.9(10) . . . . ?
C108 C107 C106 C115 -179.3(7) . . . . ?
C116 C115 C106 C105 -52.5(14) . . . . ?
C117 C115 C106 C105 151.8(10) . . . . ?
C116 C115 C106 C107 128.7(10) . . . . ?
C117 C115 C106 C107 -27.1(14) . . . . ?
C107 C106 C105 C104 -2.3(10) . . . . ?
C115 C106 C105 C104 178.8(7) . . . . ?
C106 C105 C104 C103 0.6(9) . . . . ?
C106 C105 C104 C109 175.1(6) . . . . ?
C111 C109 C104 C105 -71.8(7) . . . . ?
C110 C109 C104 C105 54.7(7) . . . . ?
C111 C109 C104 C103 102.6(6) . . . . ?
C110 C109 C104 C103 -131.0(5) . . . . ?
C107 C108 C103 C104 -2.0(7) . . . . ?
C112 C108 C103 C104 170.8(4) . . . . ?
C107 C108 C103 C102 -177.4(4) . . . . ?
C112 C108 C103 C102 -4.7(6) . . . . ?
C105 C104 C103 C108 1.6(7) . . . . ?
C109 C104 C103 C108 -172.7(4) . . . . ?
C105 C104 C103 C102 177.2(5) . . . . ?
C109 C104 C103 C102 2.9(6) . . . . ?
C108 C103 C102 C101 93.8(5) . . . . ?
C104 C103 C102 C101 -81.7(5) . . . . ?
C108 C103 C102 C97 -94.3(5) . . . . ?
C104 C103 C102 C97 90.2(5) . . . . ?
C97 C102 C101 C100 -2.3(6) . . . . ?
C103 C102 C101 C100 169.9(4) . . . . ?
C102 C101 C100 C99 -1.3(7) . . . . ?
C101 C100 C99 C98 2.4(7) . . . . ?
C2 C1 C6 C5 2.2(6) . . . . ?
Sn1 C1 C6 C5 -175.9(3) . . . . ?
C2 C1 C6 P1 174.9(3) . . . . ?
Sn1 C1 C6 P1 -3.2(4) . . . . ?
C181 P1 C6 C5 -40.0(4) . . . . ?
C187 P1 C6 C5 65.6(4) . . . . ?
Pd1 P1 C6 C5 -167.6(3) . . . . ?
C181 P1 C6 C1 147.2(3) . . . . ?
C187 P1 C6 C1 -107.2(4) . . . . ?
Pd1 P1 C6 C1 19.6(4) . . . . ?
C3 C4 C5 C6 2.5(7) . . . . ?
C1 C6 C5 C4 -3.9(7) . . . . ?
P1 C6 C5 C4 -176.5(4) . . . . ?
C12 C7 C8 C9 1.7(6) . . . . ?
Sn2 C7 C8 C9 179.7(3) . . . . ?
C7 C8 C9 C10 -2.1(7) . . . . ?
C8 C9 C10 C11 0.8(7) . . . . ?
C9 C10 C11 C12 0.9(7) . . . . ?
C10 C11 C12 C7 -1.4(7) . . . . ?
C10 C11 C12 P2 -176.9(3) . . . . ?
C8 C7 C12 C11 0.1(6) . . . . ?
Sn2 C7 C12 C11 -178.1(3) . . . . ?
C8 C7 C12 P2 175.7(3) . . . . ?
Sn2 C7 C12 P2 -2.5(4) . . . . ?
C169 P2 C12 C11 -44.2(4) . . . . ?
C175 P2 C12 C11 62.2(4) . . . . ?
Pd1 P2 C12 C11 -167.1(3) . . . . ?
C169 P2 C12 C7 140.2(3) . . . . ?
C175 P2 C12 C7 -113.4(4) . . . . ?
Pd1 P2 C12 C7 17.3(4) . . . . ?
C18 C13 C14 C15 -2.0(6) . . . . ?
Sn3 C13 C14 C15 179.8(3) . . . . ?
C13 C14 C15 C16 1.6(7) . . . . ?
C14 C15 C16 C17 0.0(7) . . . . ?
C15 C16 C17 C18 -1.2(7) . . . . ?
C16 C17 C18 C13 0.7(7) . . . . ?
C16 C17 C18 P3 169.7(3) . . . . ?
C14 C13 C18 C17 0.8(6) . . . . ?
Sn3 C13 C18 C17 179.2(3) . . . . ?
C14 C13 C18 P3 -168.8(3) . . . . ?
Sn3 C13 C18 P3 9.6(4) . . . . ?
C205 P3 C18 C17 36.8(4) . . . . ?
C211 P3 C18 C17 -67.7(4) . . . . ?
Pd2 P3 C18 C17 163.8(3) . . . . ?
C205 P3 C18 C13 -153.9(3) . . . . ?
C211 P3 C18 C13 101.6(3) . . . . ?
Pd2 P3 C18 C13 -26.8(3) . . . . ?
C24 C19 C20 C21 -2.0(7) . . . . ?
Sn4 C19 C20 C21 178.8(4) . . . . ?
C19 C20 C21 C22 2.0(7) . . . . ?
C20 C21 C22 C23 0.2(8) . . . . ?
C21 C22 C23 C24 -2.2(7) . . . . ?
C22 C23 C24 C19 2.1(7) . . . . ?
C22 C23 C24 P4 176.5(4) . . . . ?
C20 C19 C24 C23 0.0(6) . . . . ?
Sn4 C19 C24 C23 179.2(3) . . . . ?
C20 C19 C24 P4 -174.6(3) . . . . ?
Sn4 C19 C24 P4 4.6(4) . . . . ?
C193 P4 C24 C23 28.1(4) . . . . ?
C199 P4 C24 C23 -75.7(4) . . . . ?
Pd2 P4 C24 C23 158.3(3) . . . . ?
C193 P4 C24 C19 -157.4(3) . . . . ?
C199 P4 C24 C19 98.8(3) . . . . ?
Pd2 P4 C24 C19 -27.1(4) . . . . ?
C29 C28 C27 C26 -2.5(7) . . . . ?
C28 C27 C26 C25 -1.4(7) . . . . ?
C28 C27 C26 C31 174.1(4) . . . . ?
C27 C26 C25 C30 4.0(6) . . . . ?
C31 C26 C25 C30 -171.2(4) . . . . ?
C27 C26 C25 Sn1 -168.3(3) . . . . ?
C31 C26 C25 Sn1 16.5(6) . . . . ?
C27 C28 C29 C30 3.8(7) . . . . ?
C28 C29 C30 C25 -1.1(7) . . . . ?
C28 C29 C30 C46 -177.0(4) . . . . ?
C26 C25 C30 C29 -2.8(6) . . . . ?
Sn1 C25 C30 C29 170.7(3) . . . . ?
C26 C25 C30 C46 173.0(4) . . . . ?
Sn1 C25 C30 C46 -13.5(5) . . . . ?
C25 C26 C31 C36 -109.5(5) . . . . ?
C27 C26 C31 C36 75.1(5) . . . . ?
C25 C26 C31 C32 76.2(5) . . . . ?
C27 C26 C31 C32 -99.2(5) . . . . ?
C36 C31 C32 C33 1.1(6) . . . . ?
C26 C31 C32 C33 175.5(4) . . . . ?
C36 C31 C32 C40 -174.5(4) . . . . ?
C26 C31 C32 C40 0.0(6) . . . . ?
C31 C32 C33 C34 -2.2(7) . . . . ?
C40 C32 C33 C34 173.5(4) . . . . ?
C32 C31 C36 C35 0.2(6) . . . . ?
C26 C31 C36 C35 -174.0(4) . . . . ?
C32 C31 C36 C37 177.8(4) . . . . ?
C26 C31 C36 C37 3.6(6) . . . . ?
C31 C36 C35 C34 -0.5(6) . . . . ?
C37 C36 C35 C34 -178.1(4) . . . . ?
C32 C33 C34 C35 1.9(7) . . . . ?
C32 C33 C34 C43 -175.5(5) . . . . ?
C36 C35 C34 C33 -0.5(7) . . . . ?
C36 C35 C34 C43 176.8(4) . . . . ?
C35 C36 C37 C38 -60.4(5) . . . . ?
C31 C36 C37 C38 122.0(4) . . . . ?
C35 C36 C37 C39 63.3(5) . . . . ?
C31 C36 C37 C39 -114.3(4) . . . . ?
C250 C252 C251 C250 -3(7) 3_567 . . . ?
C252 C251 C250 C252 2(5) . . . 3_567 ?
C227 C226 C225 C224 -176.5(18) . . . . ?
C226 C225 C224 C223 -169.1(15) . . . . ?
C33 C32 C40 C41 62.2(6) . . . . ?
C31 C32 C40 C41 -122.4(5) . . . . ?
C33 C32 C40 C42 -60.6(6) . . . . ?
C31 C32 C40 C42 114.9(5) . . . . ?
C29 C30 C46 C51 -70.4(6) . . . . ?
C25 C30 C46 C51 113.8(5) . . . . ?
C29 C30 C46 C47 104.2(5) . . . . ?
C25 C30 C46 C47 -71.7(5) . . . . ?
C33 C34 C43 C45 95.6(6) . . . . ?
C35 C34 C43 C45 -81.7(7) . . . . ?
C33 C34 C43 C44 -139.4(6) . . . . ?
C35 C34 C43 C44 43.3(8) . . . . ?
C47 C46 C51 C50 -1.0(6) . . . . ?
C30 C46 C51 C50 173.6(4) . . . . ?
C47 C46 C51 C52 179.8(4) . . . . ?
C30 C46 C51 C52 -5.7(6) . . . . ?
C46 C51 C50 C49 -0.5(7) . . . . ?
C52 C51 C50 C49 178.7(4) . . . . ?
C51 C50 C49 C48 2.1(7) . . . . ?
C51 C50 C49 C58 -177.1(5) . . . . ?
C50 C49 C48 C47 -2.3(7) . . . . ?
C58 C49 C48 C47 177.0(5) . . . . ?
C49 C48 C47 C46 0.8(7) . . . . ?
C49 C48 C47 C55 -174.1(5) . . . . ?
C51 C46 C47 C48 0.9(6) . . . . ?
C30 C46 C47 C48 -173.8(4) . . . . ?
C51 C46 C47 C55 175.7(4) . . . . ?
C30 C46 C47 C55 1.0(6) . . . . ?
C50 C51 C52 C53 52.5(6) . . . . ?
C46 C51 C52 C53 -128.3(5) . . . . ?
C50 C51 C52 C54 -71.5(6) . . . . ?
C46 C51 C52 C54 107.7(5) . . . . ?
C48 C47 C55 C57 -33.3(6) . . . . ?
C46 C47 C55 C57 152.0(4) . . . . ?
C48 C47 C55 C56 91.7(5) . . . . ?
C46 C47 C55 C56 -83.0(6) . . . . ?
C48 C49 C58 C59 -179.4(8) . . . . ?
C50 C49 C58 C59 -0.2(11) . . . . ?
C48 C49 C58 C60 -37.2(9) . . . . ?
C50 C49 C58 C60 142.0(6) . . . . ?
C66 C61 C62 C63 4.6(6) . . . . ?
Sn2 C61 C62 C63 -170.3(3) . . . . ?
C66 C61 C62 C82 -171.5(4) . . . . ?
Sn2 C61 C62 C82 13.6(6) . . . . ?
C61 C62 C63 C64 -2.0(6) . . . . ?
C82 C62 C63 C64 174.4(4) . . . . ?
C62 C63 C64 C65 -1.3(7) . . . . ?
C63 C64 C65 C66 2.1(7) . . . . ?
C64 C65 C66 C61 0.6(6) . . . . ?
C64 C65 C66 C67 -176.4(4) . . . . ?
C62 C61 C66 C65 -4.0(6) . . . . ?
Sn2 C61 C66 C65 171.9(3) . . . . ?
C62 C61 C66 C67 172.9(4) . . . . ?
Sn2 C61 C66 C67 -11.2(5) . . . . ?
C70 C69 C68 C67 -0.4(6) . . . . ?
C70 C69 C68 C73 175.2(4) . . . . ?
C69 C68 C67 C72 -2.8(6) . . . . ?
C73 C68 C67 C72 -178.3(4) . . . . ?
C69 C68 C67 C66 171.4(4) . . . . ?
C73 C68 C67 C66 -4.0(6) . . . . ?
C65 C66 C67 C68 -72.6(5) . . . . ?
C61 C66 C67 C68 110.4(5) . . . . ?
C65 C66 C67 C72 101.6(5) . . . . ?
C61 C66 C67 C72 -75.4(5) . . . . ?
C68 C69 C70 C71 2.8(6) . . . . ?
C68 C69 C70 C79 -174.2(4) . . . . ?
C69 C68 C73 C75 -69.4(5) . . . . ?
C67 C68 C73 C75 106.0(5) . . . . ?
C69 C68 C73 C74 53.8(5) . . . . ?
C67 C68 C73 C74 -130.8(4) . . . . ?
C68 C67 C72 C71 3.5(6) . . . . ?
C66 C67 C72 C71 -170.8(4) . . . . ?
C68 C67 C72 C76 178.0(4) . . . . ?
C66 C67 C72 C76 3.7(6) . . . . ?
C78 C76 C72 C71 75.1(5) . . . . ?
C77 C76 C72 C71 -48.0(6) . . . . ?
C78 C76 C72 C67 -99.4(5) . . . . ?
C77 C76 C72 C67 137.5(4) . . . . ?
C69 C70 C71 C72 -2.1(6) . . . . ?
C79 C70 C71 C72 175.0(4) . . . . ?
C67 C72 C71 C70 -1.1(6) . . . . ?
C76 C72 C71 C70 -175.7(4) . . . . ?
C71 C70 C79 C80 119.5(5) . . . . ?
C69 C70 C79 C80 -63.5(6) . . . . ?
C71 C70 C79 C81 -116.1(5) . . . . ?
C69 C70 C79 C81 60.9(6) . . . . ?
C63 C62 C82 C83 76.1(5) . . . . ?
C61 C62 C82 C83 -107.6(5) . . . . ?
C63 C62 C82 C87 -96.4(5) . . . . ?
C61 C62 C82 C87 79.8(5) . . . . ?
C87 C82 C83 C84 -1.9(6) . . . . ?
C62 C82 C83 C84 -174.3(4) . . . . ?
C87 C82 C83 C88 174.8(4) . . . . ?
C62 C82 C83 C88 2.4(6) . . . . ?
C82 C83 C84 C85 -0.5(6) . . . . ?
C88 C83 C84 C85 -177.4(4) . . . . ?
C83 C84 C85 C86 1.5(7) . . . . ?
C83 C84 C85 C94 178.0(4) . . . . ?
C84 C85 C86 C87 -0.2(7) . . . . ?
C94 C85 C86 C87 -176.6(4) . . . . ?
C85 C86 C87 C82 -2.2(7) . . . . ?
C85 C86 C87 C91 173.3(4) . . . . ?
C83 C82 C87 C86 3.2(6) . . . . ?
C62 C82 C87 C86 175.8(4) . . . . ?
C83 C82 C87 C91 -172.2(4) . . . . ?
C62 C82 C87 C91 0.5(6) . . . . ?
C84 C83 C88 C90 69.4(5) . . . . ?
C82 C83 C88 C90 -107.3(5) . . . . ?
C84 C83 C88 C89 -53.9(6) . . . . ?
C82 C83 C88 C89 129.4(4) . . . . ?
C86 C87 C91 C92 61.7(6) . . . . ?
C82 C87 C91 C92 -123.0(5) . . . . ?
C86 C87 C91 C93 -61.2(7) . . . . ?
C82 C87 C91 C93 114.0(6) . . . . ?
C86 C85 C94 C95 -59.2(8) . . . . ?
C84 C85 C94 C95 124.4(7) . . . . ?
C86 C85 C94 C96 72.6(7) . . . . ?
C84 C85 C94 C96 -103.8(6) . . . . ?
C101 C102 C97 C98 4.7(6) . . . . ?
C103 C102 C97 C98 -167.1(4) . . . . ?
C101 C102 C97 Sn4 -171.8(3) . . . . ?
C103 C102 C97 Sn4 16.3(6) . . . . ?
C100 C99 C98 C97 0.1(6) . . . . ?
C100 C99 C98 C118 -174.5(4) . . . . ?
C102 C97 C98 C99 -3.7(6) . . . . ?
Sn4 C97 C98 C99 173.2(3) . . . . ?
C102 C97 C98 C118 170.8(4) . . . . ?
Sn4 C97 C98 C118 -12.3(5) . . . . ?
C123 C118 C98 C99 -72.0(5) . . . . ?
C119 C118 C98 C99 104.3(5) . . . . ?
C123 C118 C98 C97 113.4(5) . . . . ?
C119 C118 C98 C97 -70.3(5) . . . . ?

_refine_diff_density_max         2.659
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.118

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1575457'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C127 H151 P2 Pt Sn2'
_chemical_formula_iupac          ?
_chemical_formula_weight         2171.89

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   28.0389(11)
_cell_length_b                   17.6143(7)
_cell_length_c                   23.7299(10)
_cell_angle_alpha                90
_cell_angle_beta                 113.2410(10)
_cell_angle_gamma                90
_cell_volume                     10768.8(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1416
_cell_measurement_theta_min      3.6975
_cell_measurement_theta_max      27.4199
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4484

_exptl_absorpt_coefficient_mu    1.835
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_T_max  0.84

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   ?
_diffrn_source_type              'fine-focus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            128147
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0730
_diffrn_reflns_theta_min         1.40
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       30

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             24382
_reflns_number_gt                17843
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0436
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0699
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.037
_refine_ls_number_reflns         24382
_refine_ls_number_parameters     1216
_refine_ls_number_restraints     84
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0178P)²+14.9706P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.220
_refine_diff_density_min         -2.713
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
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'
Pt Pt -1.7033 8.3905 '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'

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn2 0.269273(9) 0.630794(14) 0.491873(11) 0.01155(6) Uani d . 1 . .
Pt Pt2 0.258243(5) 0.506474(8) 0.422125(6) 0.01092(4) Uani d . 1 . .
Sn Sn1 0.248163(9) 0.374005(14) 0.473386(11) 0.01153(6) Uani d . 1 . .
C C200 0.14632(13) 0.7219(2) 0.45767(16) 0.0141(8) Uani d . 1 . .
P P1 0.25495(4) 0.61157(5) 0.36254(4) 0.0136(2) Uani d . 1 . .
P P2 0.26410(4) 0.40863(6) 0.36017(4) 0.0142(2) Uani d . 1 . .
C C505 0.4227(3) 0.0442(5) 0.3770(4) 0.112(3) Uani d U 1 . .
H H505 0.3881 0.0479 0.3746 0.134 Uiso calc R 1 . .
C C504 0.4356(3) 0.0847(6) 0.3358(4) 0.112(3) Uani d U 1 . .
H H504 0.4088 0.1132 0.3057 0.135 Uiso calc R 1 . .
C C1 0.20545(13) 0.6138(2) 0.28358(16) 0.0149(8) Uani d . 1 . .
C C2 0.15453(14) 0.6342(2) 0.27294(17) 0.0205(9) Uani d . 1 . .
H H2 0.146 0.6488 0.3064 0.025 Uiso calc R 1 . .
C C3 0.11617(15) 0.6335(2) 0.21381(19) 0.0270(10) Uani d . 1 . .
H H3 0.0817 0.6481 0.207 0.032 Uiso calc R 1 . .
C C4 0.12793(15) 0.6118(2) 0.16506(18) 0.0269(10) Uani d . 1 . .
H H4 0.1017 0.6111 0.1247 0.032 Uiso calc R 1 . .
C C5 0.17787(16) 0.5911(2) 0.17510(18) 0.0278(10) Uani d . 1 . .
H H5 0.186 0.5758 0.1415 0.033 Uiso calc R 1 . .
C C6 0.21668(15) 0.5923(2) 0.23403(17) 0.0209(9) Uani d . 1 . .
H H6 0.2511 0.5783 0.2403 0.025 Uiso calc R 1 . .
C C7 0.31428(13) 0.6332(2) 0.35215(16) 0.0154(8) Uani d . 1 . .
C C8 0.35929(14) 0.5925(2) 0.38458(18) 0.0216(9) Uani d . 1 . .
H H8 0.3589 0.5533 0.4119 0.026 Uiso calc R 1 . .
C C9 0.40476(15) 0.6093(2) 0.3769(2) 0.0294(10) Uani d . 1 . .
H H9 0.4355 0.5812 0.3988 0.035 Uiso calc R 1 . .
C C10 0.40557(16) 0.6666(3) 0.3376(2) 0.0318(11) Uani d . 1 . .
H H10 0.4367 0.6774 0.3322 0.038 Uiso calc R 1 . .
C C11 0.36124(16) 0.7083(2) 0.30608(18) 0.0250(9) Uani d . 1 . .
H H11 0.362 0.7482 0.2796 0.03 Uiso calc R 1 . .
C C12 0.31592(15) 0.6915(2) 0.31335(17) 0.0193(9) Uani d . 1 . .
H H12 0.2854 0.7201 0.2916 0.023 Uiso calc R 1 . .
C C13 0.24244(14) 0.6932(2) 0.40246(16) 0.0152(8) Uani d . 1 . .
H H13 0.2038 0.6957 0.388 0.018 Uiso calc R 1 . .
C C14 0.25845(14) 0.7706(2) 0.39026(16) 0.0166(8) Uani d . 1 . .
C C15 0.30864(15) 0.7989(2) 0.42283(17) 0.0206(9) Uani d . 1 . .
H H15 0.3338 0.7675 0.4522 0.025 Uiso calc R 1 . .
C C16 0.32196(15) 0.8712(2) 0.41301(18) 0.0267(10) Uani d . 1 . .
H H16 0.3562 0.8892 0.4357 0.032 Uiso calc R 1 . .
C C17 0.28609(16) 0.9182(2) 0.37045(19) 0.0267(10) Uani d . 1 . .
H H17 0.2952 0.9687 0.3648 0.032 Uiso calc R 1 . .
C C18 0.23662(16) 0.8909(2) 0.33613(18) 0.0263(10) Uani d . 1 . .
H H18 0.212 0.9221 0.3059 0.032 Uiso calc R 1 . .
C C19 0.22340(15) 0.8175(2) 0.34632(17) 0.0207(9) Uani d . 1 . .
H H19 0.1895 0.7991 0.3226 0.025 Uiso calc R 1 . .
C C20 0.28173(14) 0.3246(2) 0.41004(16) 0.0160(8) Uani d . 1 . .
H H20 0.3202 0.328 0.433 0.019 Uiso calc R 1 . .
C C21 0.27253(13) 0.2488(2) 0.37875(15) 0.0143(8) Uani d . 1 . .
C C22 0.22665(15) 0.2091(2) 0.36599(18) 0.0229(9) Uani d . 1 . .
H H22 0.2017 0.2288 0.3799 0.027 Uiso calc R 1 . .
C C23 0.21634(16) 0.1418(2) 0.33366(19) 0.0279(10) Uani d . 1 . .
H H23 0.1848 0.1156 0.3258 0.034 Uiso calc R 1 . .
C C24 0.25193(16) 0.1130(2) 0.31286(19) 0.0296(10) Uani d . 1 . .
H H24 0.2448 0.067 0.2901 0.036 Uiso calc R 1 . .
C C25 0.29806(17) 0.1507(2) 0.3251(2) 0.0314(11) Uani d . 1 . .
H H25 0.3227 0.1305 0.3107 0.038 Uiso calc R 1 . .
C C26 0.30875(15) 0.2183(2) 0.35838(18) 0.0245(9) Uani d . 1 . .
H H26 0.3408 0.2437 0.3672 0.029 Uiso calc R 1 . .
C C27 0.20452(13) 0.3873(2) 0.29369(16) 0.0166(8) Uani d . 1 . .
C C28 0.16106(14) 0.4314(2) 0.28180(16) 0.0167(8) Uani d . 1 . .
H H28 0.1618 0.4704 0.3098 0.02 Uiso calc R 1 . .
C C29 0.11617(14) 0.4200(2) 0.22967(18) 0.0228(9) Uani d . 1 . .
H H29 0.0866 0.451 0.2222 0.027 Uiso calc R 1 . .
C C30 0.11466(15) 0.3632(2) 0.18856(18) 0.0250(9) Uani d . 1 . .
H H30 0.0841 0.3553 0.1527 0.03 Uiso calc R 1 . .
C C31 0.15781(15) 0.3180(2) 0.19984(18) 0.0236(9) Uani d . 1 . .
H H31 0.1568 0.279 0.1717 0.028 Uiso calc R 1 . .
C C32 0.20235(15) 0.3295(2) 0.25183(17) 0.0203(9) Uani d . 1 . .
H H32 0.2318 0.298 0.2594 0.024 Uiso calc R 1 . .
C C33 0.31163(14) 0.4169(2) 0.32544(17) 0.0164(8) Uani d . 1 . .
C C34 0.36444(15) 0.4080(2) 0.3610(2) 0.0265(10) Uani d . 1 . .
H H34 0.3757 0.3934 0.4028 0.032 Uiso calc R 1 . .
C C35 0.40079(16) 0.4206(3) 0.3354(2) 0.0343(11) Uani d . 1 . .
H H35 0.4368 0.4145 0.3598 0.041 Uiso calc R 1 . .
C C36 0.38460(19) 0.4417(3) 0.2750(2) 0.0374(12) Uani d . 1 . .
H H36 0.4096 0.451 0.258 0.045 Uiso calc R 1 . .
C C37 0.33327(18) 0.4497(2) 0.2393(2) 0.0321(11) Uani d . 1 . .
H H37 0.3225 0.4638 0.1975 0.039 Uiso calc R 1 . .
C C38 0.29667(16) 0.4370(2) 0.26399(18) 0.0223(9) Uani d . 1 . .
H H38 0.2608 0.4422 0.2387 0.027 Uiso calc R 1 . .
C C39 0.28215(13) 0.3151(2) 0.56314(16) 0.0131(8) Uani d . 1 . .
C C40 0.25247(13) 0.3050(2) 0.59921(16) 0.0131(8) Uani d . 1 . .
C C41 0.27737(13) 0.2882(2) 0.66201(16) 0.0161(8) Uani d . 1 . .
H H41 0.2573 0.2837 0.6861 0.019 Uiso calc R 1 . .
C C42 0.33033(14) 0.2783(2) 0.68936(17) 0.0197(9) Uani d . 1 . .
H H42 0.347 0.2705 0.7324 0.024 Uiso calc R 1 . .
C C43 0.35873(13) 0.2797(2) 0.65339(17) 0.0179(9) Uani d . 1 . .
H H43 0.3949 0.2694 0.6717 0.021 Uiso calc R 1 . .
C C44 0.33558(13) 0.2960(2) 0.59051(16) 0.0148(8) Uani d . 1 . .
C C45 0.37009(13) 0.2802(2) 0.55597(16) 0.0154(8) Uani d . 1 . .
C C46 0.37059(13) 0.2065(2) 0.53352(17) 0.0179(8) Uani d . 1 . .
C C47 0.40635(13) 0.1889(2) 0.50812(17) 0.0208(9) Uani d . 1 . .
H H47 0.4056 0.1394 0.4918 0.025 Uiso calc R 1 . .
C C48 0.44282(14) 0.2400(2) 0.50563(17) 0.0212(9) Uani d . 1 . .
C C49 0.48215(15) 0.2162(3) 0.47933(19) 0.0279(10) Uani d . 1 . .
H H49 0.4708 0.1657 0.4592 0.033 Uiso calc R 1 . .
C C50 0.4840(3) 0.2692(4) 0.4315(3) 0.092(3) Uani d . 1 . .
H H50A 0.4488 0.2769 0.4005 0.138 Uiso calc R 1 . .
H H50B 0.506 0.2477 0.4121 0.138 Uiso calc R 1 . .
H H50C 0.4984 0.318 0.4505 0.138 Uiso calc R 1 . .
C C51 0.53562(18) 0.2058(3) 0.5283(2) 0.0555(16) Uani d . 1 . .
H H51A 0.5583 0.1834 0.5102 0.083 Uiso calc R 1 . .
H H51B 0.5339 0.1719 0.5602 0.083 Uiso calc R 1 . .
H H51C 0.5495 0.2551 0.5464 0.083 Uiso calc R 1 . .
C C52 0.44211(14) 0.3119(2) 0.52889(17) 0.0212(9) Uani d . 1 . .
H H52 0.4669 0.3481 0.5279 0.025 Uiso calc R 1 . .
C C53 0.40657(13) 0.3337(2) 0.55363(17) 0.0174(8) Uani d . 1 . .
C C54 0.40973(14) 0.4127(2) 0.58019(19) 0.0233(9) Uani d . 1 . .
H H54 0.3774 0.4209 0.5877 0.028 Uiso calc R 1 . .
C C55 0.45584(16) 0.4200(3) 0.6420(2) 0.0356(11) Uani d . 1 . .
H H55A 0.4535 0.3807 0.6701 0.053 Uiso calc R 1 . .
H H55B 0.4553 0.4702 0.6595 0.053 Uiso calc R 1 . .
H H55C 0.4883 0.4137 0.6361 0.053 Uiso calc R 1 . .
C C56 0.41176(19) 0.4747(2) 0.5362(2) 0.0422(13) Uani d . 1 . .
H H56A 0.4417 0.466 0.5254 0.063 Uiso calc R 1 . .
H H56B 0.4151 0.5243 0.556 0.063 Uiso calc R 1 . .
H H56C 0.3798 0.4734 0.4989 0.063 Uiso calc R 1 . .
C C57 0.33541(15) 0.1431(2) 0.5390(2) 0.0284(10) Uani d . 1 . .
H H57 0.3035 0.1676 0.5399 0.034 Uiso calc R 1 . .
C C58 0.31788(17) 0.0864(2) 0.4862(2) 0.0354(12) Uani d . 1 . .
H H58A 0.3032 0.1138 0.4472 0.053 Uiso calc R 1 . .
H H58B 0.2915 0.0526 0.49 0.053 Uiso calc R 1 . .
H H58C 0.3477 0.0563 0.4876 0.053 Uiso calc R 1 . .
C C59 0.3616(2) 0.0997(3) 0.5993(2) 0.0472(14) Uani d . 1 . .
H H59A 0.3948 0.0791 0.6016 0.071 Uiso calc R 1 . .
H H59B 0.339 0.058 0.601 0.071 Uiso calc R 1 . .
H H59C 0.3677 0.1342 0.6339 0.071 Uiso calc R 1 . .
C C60 0.19351(13) 0.3027(2) 0.57430(16) 0.0128(8) Uani d . 1 . .
C C61 0.16799(13) 0.2362(2) 0.54424(16) 0.0151(8) Uani d . 1 . .
C C62 0.11413(13) 0.2313(2) 0.52446(17) 0.0169(8) Uani d . 1 . .
H H62 0.0972 0.186 0.505 0.02 Uiso calc R 1 . .
C C63 0.08447(13) 0.2902(2) 0.53216(17) 0.0172(8) Uani d . 1 . .
C C64 0.02551(13) 0.2857(2) 0.50874(17) 0.0207(9) Uani d . 1 . .
H H64 0.0125 0.3385 0.5092 0.025 Uiso calc R 1 . .
C C65 0.00081(15) 0.2573(3) 0.44268(19) 0.0391(13) Uani d . 1 . .
H H65A 0.013 0.2884 0.4167 0.059 Uiso calc R 1 . .
H H65B -0.037 0.2611 0.4279 0.059 Uiso calc R 1 . .
H H65C 0.0107 0.2043 0.441 0.059 Uiso calc R 1 . .
C C66 0.00832(14) 0.2376(2) 0.5507(2) 0.0280(10) Uani d . 1 . .
H H66A 0.0189 0.1848 0.5497 0.042 Uiso calc R 1 . .
H H66B -0.0295 0.2402 0.5368 0.042 Uiso calc R 1 . .
H H66C 0.0245 0.257 0.5928 0.042 Uiso calc R 1 . .
C C67 0.11072(13) 0.3539(2) 0.56286(17) 0.0191(9) Uani d . 1 . .
H H67 0.0911 0.3946 0.5691 0.023 Uiso calc R 1 . .
C C68 0.16458(13) 0.3614(2) 0.58515(16) 0.0161(8) Uani d . 1 . .
C C69 0.18891(14) 0.4351(2) 0.61695(17) 0.0184(9) Uani d . 1 . .
H H69 0.2271 0.4269 0.6389 0.022 Uiso calc R 1 . .
C C70 0.16730(16) 0.4606(3) 0.66401(19) 0.0298(10) Uani d . 1 . .
H H70A 0.1313 0.4774 0.6426 0.045 Uiso calc R 1 . .
H H70B 0.1883 0.5027 0.6884 0.045 Uiso calc R 1 . .
H H70C 0.1685 0.4181 0.6912 0.045 Uiso calc R 1 . .
C C71 0.18034(16) 0.4969(2) 0.56951(18) 0.0280(9) Uani d . 1 . .
H H71A 0.1993 0.4843 0.5438 0.042 Uiso calc R 1 . .
H H71B 0.193 0.5454 0.5903 0.042 Uiso calc R 1 . .
H H71C 0.1432 0.5011 0.5438 0.042 Uiso calc R 1 . .
C C72 0.19809(14) 0.1688(2) 0.53442(18) 0.0210(9) Uani d . 1 . .
H H72 0.2301 0.1895 0.531 0.025 Uiso calc R 1 . .
C C73 0.21582(17) 0.1158(2) 0.58979(19) 0.0356(12) Uani d . 1 . .
H H73A 0.2371 0.1442 0.6267 0.053 Uiso calc R 1 . .
H H73B 0.2364 0.0743 0.5833 0.053 Uiso calc R 1 . .
H H73C 0.1854 0.0949 0.595 0.053 Uiso calc R 1 . .
C C74 0.16901(15) 0.1232(2) 0.47615(18) 0.0242(9) Uani d . 1 . .
H H74A 0.1412 0.094 0.4811 0.036 Uiso calc R 1 . .
H H74B 0.1932 0.0885 0.4686 0.036 Uiso calc R 1 . .
H H74C 0.154 0.158 0.4413 0.036 Uiso calc R 1 . .
C C75 0.23036(13) 0.6814(2) 0.54800(16) 0.0133(8) Uani d . 1 . .
C C76 0.25757(14) 0.6870(2) 0.61246(17) 0.0157(8) Uani d . 1 . .
C C77 0.23050(14) 0.6988(2) 0.65016(17) 0.0182(8) Uani d . 1 . .
H H77 0.2491 0.7014 0.6933 0.022 Uiso calc R 1 . .
C C78 0.17739(14) 0.7066(2) 0.62579(18) 0.0209(9) Uani d . 1 . .
H H78 0.159 0.7098 0.6519 0.025 Uiso calc R 1 . .
C C79 0.15116(14) 0.7098(2) 0.56297(17) 0.0183(8) Uani d . 1 . .
H H79 0.1149 0.7193 0.546 0.022 Uiso calc R 1 . .
C C80 0.17704(14) 0.6993(2) 0.52370(16) 0.0150(8) Uani d . 1 . .
C C81 0.14758(13) 0.7993(2) 0.44257(17) 0.0167(8) Uani d . 1 . .
C C82 0.17635(14) 0.8589(2) 0.49027(17) 0.0179(8) Uani d . 1 . .
H H82 0.1984 0.8318 0.5288 0.022 Uiso calc R 1 . .
C C83 0.21190(15) 0.9095(2) 0.47156(18) 0.0238(9) Uani d . 1 . .
H H83A 0.2379 0.8781 0.4647 0.036 Uiso calc R 1 . .
H H83B 0.2293 0.9462 0.5043 0.036 Uiso calc R 1 . .
H H83C 0.1912 0.9367 0.4337 0.036 Uiso calc R 1 . .
C C84 0.13697(15) 0.9072(2) 0.50410(18) 0.0256(10) Uani d . 1 . .
H H84A 0.1138 0.9325 0.4665 0.038 Uiso calc R 1 . .
H H84B 0.1553 0.9454 0.5351 0.038 Uiso calc R 1 . .
H H84C 0.1165 0.8745 0.5196 0.038 Uiso calc R 1 . .
C C85 0.11688(13) 0.8230(2) 0.38329(17) 0.0181(8) Uani d . 1 . .
H H85 0.1186 0.8746 0.3727 0.022 Uiso calc R 1 . .
C C86 0.08403(13) 0.7744(2) 0.33923(17) 0.0171(8) Uani d . 1 . .
C C87 0.08205(13) 0.6993(2) 0.35560(17) 0.0172(8) Uani d . 1 . .
H H87 0.0589 0.6656 0.3263 0.021 Uiso calc R 1 . .
C C88 0.11294(13) 0.6718(2) 0.41359(17) 0.0161(8) Uani d . 1 . .
C C89 0.10784(14) 0.5896(2) 0.42955(17) 0.0181(8) Uani d . 1 . .
H H89 0.1387 0.5777 0.4679 0.022 Uiso calc R 1 . .
C C90 0.10809(16) 0.5338(2) 0.38070(19) 0.0275(10) Uani d . 1 . .
H H90A 0.0798 0.5463 0.3415 0.041 Uiso calc R 1 . .
H H90B 0.1033 0.4822 0.3929 0.041 Uiso calc R 1 . .
H H90C 0.1413 0.5372 0.3763 0.041 Uiso calc R 1 . .
C C91 0.05960(15) 0.5784(2) 0.4438(2) 0.0310(10) Uani d . 1 . .
H H91A 0.0626 0.6095 0.4793 0.047 Uiso calc R 1 . .
H H91B 0.0566 0.5248 0.453 0.047 Uiso calc R 1 . .
H H91C 0.0286 0.5938 0.4083 0.047 Uiso calc R 1 . .
C C92 0.04898(14) 0.8034(2) 0.27579(18) 0.0234(9) Uani d . 1 . .
H H92 0.0309 0.7585 0.2507 0.028 Uiso calc R 1 . .
C C93 0.00737(15) 0.8559(2) 0.2803(2) 0.0336(11) Uani d . 1 . .
H H93A -0.0119 0.8293 0.3009 0.05 Uiso calc R 1 . .
H H93B -0.0165 0.8709 0.239 0.05 Uiso calc R 1 . .
H H93C 0.0238 0.9012 0.3039 0.05 Uiso calc R 1 . .
C C94 0.07901(16) 0.8428(3) 0.24211(19) 0.0328(11) Uani d . 1 . .
H H94A 0.098 0.8865 0.2662 0.049 Uiso calc R 1 . .
H H94B 0.0546 0.8603 0.2018 0.049 Uiso calc R 1 . .
H H94C 0.1036 0.807 0.2368 0.049 Uiso calc R 1 . .
C C95 0.31601(14) 0.6875(2) 0.64502(16) 0.0151(8) Uani d . 1 . .
C C96 0.34421(14) 0.7538(2) 0.64455(16) 0.0179(8) Uani d . 1 . .
C C97 0.39686(15) 0.7560(2) 0.68052(17) 0.0238(9) Uani d . 1 . .
H H97 0.4158 0.8007 0.6805 0.029 Uiso calc R 1 . .
C C98 0.42288(14) 0.6953(2) 0.71654(17) 0.0247(10) Uani d . 1 . .
C C99 0.48059(16) 0.7014(3) 0.7561(2) 0.0379(12) Uani d . 1 . .
H H99 0.4874 0.7573 0.7589 0.045 Uiso calc R 1 . .
C C100 0.49582(18) 0.6780(4) 0.8201(2) 0.0592(17) Uani d . 1 . .
H H10A 0.4957 0.6225 0.8225 0.089 Uiso calc R 1 . .
H H10B 0.4712 0.6988 0.8361 0.089 Uiso calc R 1 . .
H H10C 0.5307 0.6971 0.8447 0.089 Uiso calc R 1 . .
C C101 0.51177(17) 0.6725(4) 0.7235(2) 0.071(2) Uani d . 1 . .
H H10D 0.5487 0.6766 0.7501 0.106 Uiso calc R 1 . .
H H10E 0.5045 0.7026 0.6863 0.106 Uiso calc R 1 . .
H H10F 0.5029 0.6193 0.7124 0.106 Uiso calc R 1 . .
C C102 0.39499(14) 0.6302(2) 0.71594(17) 0.0228(9) Uani d . 1 . .
H H102 0.4124 0.5879 0.7402 0.027 Uiso calc R 1 . .
C C103 0.34175(13) 0.6254(2) 0.68030(16) 0.0172(8) Uani d . 1 . .
C C104 0.31332(14) 0.5524(2) 0.68094(17) 0.0186(9) Uani d . 1 . .
H H104 0.2762 0.5596 0.6527 0.022 Uiso calc R 1 . .
C C105 0.33414(16) 0.4864(2) 0.6565(2) 0.0325(11) Uani d . 1 . .
H H10N 0.33 0.4973 0.6143 0.049 Uiso calc R 1 . .
H H10O 0.3149 0.4402 0.657 0.049 Uiso calc R 1 . .
H H10P 0.371 0.4791 0.6822 0.049 Uiso calc R 1 . .
C C106 0.3145(2) 0.5360(3) 0.7446(2) 0.0468(14) Uani d . 1 . .
H H10S 0.3505 0.5306 0.7738 0.07 Uiso calc R 1 . .
H H10Q 0.2955 0.4889 0.7434 0.07 Uiso calc R 1 . .
H H10R 0.2981 0.578 0.7573 0.07 Uiso calc R 1 . .
C C107 0.31778(15) 0.8235(2) 0.60708(18) 0.0215(9) Uani d . 1 . .
H H107 0.2889 0.8053 0.5689 0.026 Uiso calc R 1 . .
C C108 0.35332(16) 0.8727(2) 0.58767(19) 0.0303(10) Uani d . 1 . .
H H10G 0.3326 0.9111 0.5583 0.045 Uiso calc R 1 . .
H H10H 0.3713 0.8408 0.5685 0.045 Uiso calc R 1 . .
H H10I 0.3789 0.8979 0.6238 0.045 Uiso calc R 1 . .
C C109 0.29363(17) 0.8718(2) 0.6429(2) 0.0317(10) Uani d . 1 . .
H H10J 0.2689 0.8409 0.6528 0.048 Uiso calc R 1 . .
H H10K 0.2755 0.9153 0.6178 0.048 Uiso calc R 1 . .
H H10L 0.3211 0.89 0.6809 0.048 Uiso calc R 1 . .
C C110 0.35192(13) 0.6539(2) 0.53542(16) 0.0172(8) Uani d . 1 . .
H H11A 0.3574 0.708 0.5454 0.026 Uiso calc R 1 . .
H H11B 0.3685 0.6402 0.5074 0.026 Uiso calc R 1 . .
H H11C 0.3672 0.6239 0.5731 0.026 Uiso calc R 1 . .
C C111 -0.01787(16) 0.5003(3) 0.93675(19) 0.0307(10) Uani d . 1 . .
H H111 -0.0301 0.501 0.8933 0.037 Uiso calc R 1 . .
C C112 0.04913(16) 0.4731(2) 1.0346(2) 0.0352(12) Uani d . 1 . .
H H112 0.0831 0.455 1.0585 0.042 Uiso calc R 1 . .
C C113 0.03103(16) 0.4730(2) 0.9715(2) 0.0301(10) Uani d . 1 . .
H H113 0.0523 0.454 0.9519 0.036 Uiso calc R 1 . .
C C114 0.03992(19) 0.1335(3) 0.3247(3) 0.0528(15) Uani d . 1 . .
H H114 0.0268 0.1263 0.3556 0.063 Uiso calc R 1 . .
C C115 0.0314(2) 0.0792(3) 0.2806(4) 0.073(2) Uani d . 1 . .
H H115 0.0125 0.0344 0.2806 0.088 Uiso calc R 1 . .
C C116 0.0513(3) 0.0913(4) 0.2347(3) 0.078(2) Uani d . 1 . .
H H116 0.0465 0.0545 0.2036 0.093 Uiso calc R 1 . .
C C117 0.0780(2) 0.1584(4) 0.2367(3) 0.0572(16) Uani d . 1 . .
H H117 0.091 0.1683 0.206 0.069 Uiso calc R 1 . .
C C118 0.08555(17) 0.2094(3) 0.2814(3) 0.0474(14) Uani d . 1 . .
H H118 0.1043 0.2546 0.2824 0.057 Uiso calc R 1 . .
C C119 0.06680(17) 0.1972(3) 0.3249(2) 0.0430(13) Uani d . 1 . .
H H119 0.0726 0.234 0.3562 0.052 Uiso calc R 1 . .
C C501 0.4569(3) -0.0014(4) 0.4218(6) 0.146(4) Uani d U 1 . .
H H501 0.448 -0.029 0.4507 0.176 Uiso calc R 1 . .
C C502 0.5034(3) -0.0027(5) 0.4204(7) 0.199(5) Uani d U 1 . .
H H502 0.5276 -0.0371 0.4477 0.239 Uiso calc R 1 . .
C C507 0.5205(4) 0.0386(6) 0.3851(8) 0.215(6) Uani d U 1 . .
H H507 0.5561 0.0377 0.3914 0.258 Uiso calc R 1 . .
C C503 0.4817(4) 0.0874(6) 0.3342(6) 0.156(4) Uani d U 1 . .
H H503 0.49 0.1159 0.3053 0.187 Uiso calc R 1 . .
C C508 0.16611(13) 0.3460(2) 0.43204(16) 0.0159(8) Uani d . 1 . .
H H50D 0.1617 0.2911 0.4348 0.024 Uiso calc R 1 . .
H H50E 0.1518 0.3614 0.3889 0.024 Uiso calc R 1 . .
H H50F 0.1478 0.3728 0.4538 0.024 Uiso calc R 1 . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn2 C110 . 2.171(3) ?
Sn2 C75 . 2.215(4) ?
Sn2 C13 . 2.239(4) ?
Sn2 Pt2 . 2.6882(3) ?
Sn2 P1 . 2.9533(10) ?
Pt2 P1 . 2.3090(10) ?
Pt2 P2 . 2.3127(10) ?
Pt2 Sn1 . 2.6973(3) ?
Sn1 C508 . 2.172(3) ?
Sn1 C39 . 2.218(3) ?
Sn1 C20 . 2.241(4) ?
Sn1 P2 . 2.9558(10) ?
C200 C88 . 1.406(5) ?
C200 C81 . 1.414(5) ?
C200 C80 . 1.513(5) ?
P1 C7 . 1.816(4) ?
P1 C13 . 1.830(4) ?
P1 C1 . 1.840(3) ?
P2 C27 . 1.828(4) ?
P2 C33 . 1.829(4) ?
P2 C20 . 1.837(4) ?
C505 C504 . 1.372(11) ?
C505 C501 . 1.376(11) ?
C505 H505 . 0.95 ?
C504 C503 . 1.307(11) ?
C504 H504 . 0.95 ?
C1 C6 . 1.385(5) ?
C1 C2 . 1.395(5) ?
C2 C3 . 1.391(5) ?
C2 H2 . 0.95 ?
C3 C4 . 1.376(6) ?
C3 H3 . 0.95 ?
C4 C5 . 1.373(6) ?
C4 H4 . 0.95 ?
C5 C6 . 1.393(5) ?
C5 H5 . 0.95 ?
C6 H6 . 0.95 ?
C7 C8 . 1.390(5) ?
C7 C12 . 1.391(5) ?
C8 C9 . 1.389(5) ?
C8 H8 . 0.95 ?
C9 C10 . 1.380(6) ?
C9 H9 . 0.95 ?
C10 C11 . 1.382(6) ?
C10 H10 . 0.95 ?
C11 C12 . 1.380(5) ?
C11 H11 . 0.95 ?
C12 H12 . 0.95 ?
C13 C14 . 1.499(5) ?
C13 H13 . 1.0 ?
C14 C19 . 1.389(5) ?
C14 C15 . 1.403(5) ?
C15 C16 . 1.373(6) ?
C15 H15 . 0.95 ?
C16 C17 . 1.384(6) ?
C16 H16 . 0.95 ?
C17 C18 . 1.388(6) ?
C17 H17 . 0.95 ?
C18 C19 . 1.392(6) ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C21 . 1.499(5) ?
C20 H20 . 1.0 ?
C21 C22 . 1.389(5) ?
C21 C26 . 1.393(5) ?
C22 C23 . 1.379(5) ?
C22 H22 . 0.95 ?
C23 C24 . 1.374(6) ?
C23 H23 . 0.95 ?
C24 C25 . 1.379(6) ?
C24 H24 . 0.95 ?
C25 C26 . 1.396(6) ?
C25 H25 . 0.95 ?
C26 H26 . 0.95 ?
C27 C28 . 1.377(5) ?
C27 C32 . 1.408(5) ?
C28 C29 . 1.388(5) ?
C28 H28 . 0.95 ?
C29 C30 . 1.387(5) ?
C29 H29 . 0.95 ?
C30 C31 . 1.383(5) ?
C30 H30 . 0.95 ?
C31 C32 . 1.381(5) ?
C31 H31 . 0.95 ?
C32 H32 . 0.95 ?
C33 C34 . 1.394(5) ?
C33 C38 . 1.395(5) ?
C34 C35 . 1.394(6) ?
C34 H34 . 0.95 ?
C35 C36 . 1.373(6) ?
C35 H35 . 0.95 ?
C36 C37 . 1.359(6) ?
C36 H36 . 0.95 ?
C37 C38 . 1.386(6) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C39 C44 . 1.418(5) ?
C39 C40 . 1.421(5) ?
C40 C41 . 1.405(5) ?
C40 C60 . 1.521(5) ?
C41 C42 . 1.377(5) ?
C41 H41 . 0.95 ?
C42 C43 . 1.379(5) ?
C42 H42 . 0.95 ?
C43 C44 . 1.402(5) ?
C43 H43 . 0.95 ?
C44 C45 . 1.520(5) ?
C45 C46 . 1.406(5) ?
C45 C53 . 1.407(5) ?
C46 C47 . 1.393(5) ?
C46 C57 . 1.529(5) ?
C47 C48 . 1.381(5) ?
C47 H47 . 0.95 ?
C48 C52 . 1.386(6) ?
C48 C49 . 1.525(5) ?
C49 C50 . 1.486(7) ?
C49 C51 . 1.502(6) ?
C49 H49 . 1.0 ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C51 H51A . 0.98 ?
C51 H51B . 0.98 ?
C51 H51C . 0.98 ?
C52 C53 . 1.395(5) ?
C52 H52 . 0.95 ?
C53 C54 . 1.515(5) ?
C54 C56 . 1.527(6) ?
C54 C55 . 1.531(6) ?
C54 H54 . 1.0 ?
C55 H55A . 0.98 ?
C55 H55B . 0.98 ?
C55 H55C . 0.98 ?
C56 H56A . 0.98 ?
C56 H56B . 0.98 ?
C56 H56C . 0.98 ?
C57 C58 . 1.525(6) ?
C57 C59 . 1.530(6) ?
C57 H57 . 1.0 ?
C58 H58A . 0.98 ?
C58 H58B . 0.98 ?
C58 H58C . 0.98 ?
C59 H59A . 0.98 ?
C59 H59B . 0.98 ?
C59 H59C . 0.98 ?
C60 C68 . 1.399(5) ?
C60 C61 . 1.411(5) ?
C61 C62 . 1.396(5) ?
C61 C72 . 1.527(5) ?
C62 C63 . 1.386(5) ?
C62 H62 . 0.95 ?
C63 C67 . 1.381(5) ?
C63 C64 . 1.524(5) ?
C64 C66 . 1.524(5) ?
C64 C65 . 1.527(6) ?
C64 H64 . 1.0 ?
C65 H65A . 0.98 ?
C65 H65B . 0.98 ?
C65 H65C . 0.98 ?
C66 H66A . 0.98 ?
C66 H66B . 0.98 ?
C66 H66C . 0.98 ?
C67 C68 . 1.396(5) ?
C67 H67 . 0.95 ?
C68 C69 . 1.521(5) ?
C69 C71 . 1.516(5) ?
C69 C70 . 1.533(5) ?
C69 H69 . 1.0 ?
C70 H70A . 0.98 ?
C70 H70B . 0.98 ?
C70 H70C . 0.98 ?
C71 H71A . 0.98 ?
C71 H71B . 0.98 ?
C71 H71C . 0.98 ?
C72 C73 . 1.526(6) ?
C72 C74 . 1.527(5) ?
C72 H72 . 1.0 ?
C73 H73A . 0.98 ?
C73 H73B . 0.98 ?
C73 H73C . 0.98 ?
C74 H74A . 0.98 ?
C74 H74B . 0.98 ?
C74 H74C . 0.98 ?
C75 C80 . 1.410(5) ?
C75 C76 . 1.418(5) ?
C76 C77 . 1.398(5) ?
C76 C95 . 1.511(5) ?
C77 C78 . 1.375(5) ?
C77 H77 . 0.95 ?
C78 C79 . 1.379(5) ?
C78 H78 . 0.95 ?
C79 C80 . 1.401(5) ?
C79 H79 . 0.95 ?
C81 C85 . 1.392(5) ?
C81 C82 . 1.521(5) ?
C82 C83 . 1.528(5) ?
C82 C84 . 1.528(5) ?
C82 H82 . 1.0 ?
C83 H83A . 0.98 ?
C83 H83B . 0.98 ?
C83 H83C . 0.98 ?
C84 H84A . 0.98 ?
C84 H84B . 0.98 ?
C84 H84C . 0.98 ?
C85 C86 . 1.384(5) ?
C85 H85 . 0.95 ?
C86 C87 . 1.385(5) ?
C86 C92 . 1.525(5) ?
C87 C88 . 1.392(5) ?
C87 H87 . 0.95 ?
C88 C89 . 1.517(5) ?
C89 C90 . 1.521(5) ?
C89 C91 . 1.532(5) ?
C89 H89 . 1.0 ?
C90 H90A . 0.98 ?
C90 H90B . 0.98 ?
C90 H90C . 0.98 ?
C91 H91A . 0.98 ?
C91 H91B . 0.98 ?
C91 H91C . 0.98 ?
C92 C93 . 1.525(5) ?
C92 C94 . 1.536(6) ?
C92 H92 . 1.0 ?
C93 H93A . 0.98 ?
C93 H93B . 0.98 ?
C93 H93C . 0.98 ?
C94 H94A . 0.98 ?
C94 H94B . 0.98 ?
C94 H94C . 0.98 ?
C95 C103 . 1.393(5) ?
C95 C96 . 1.414(5) ?
C96 C97 . 1.384(5) ?
C96 C107 . 1.526(5) ?
C97 C98 . 1.383(6) ?
C97 H97 . 0.95 ?
C98 C102 . 1.385(6) ?
C98 C99 . 1.521(5) ?
C99 C100 . 1.465(6) ?
C99 C101 . 1.468(6) ?
C99 H99 . 1.0 ?
C100 H10A . 0.98 ?
C100 H10B . 0.98 ?
C100 H10C . 0.98 ?
C101 H10D . 0.98 ?
C101 H10E . 0.98 ?
C101 H10F . 0.98 ?
C102 C103 . 1.398(5) ?
C102 H102 . 0.95 ?
C103 C104 . 1.516(5) ?
C104 C105 . 1.515(5) ?
C104 C106 . 1.525(6) ?
C104 H104 . 1.0 ?
C105 H10N . 0.98 ?
C105 H10O . 0.98 ?
C105 H10P . 0.98 ?
C106 H10S . 0.98 ?
C106 H10Q . 0.98 ?
C106 H10R . 0.98 ?
C107 C108 . 1.523(5) ?
C107 C109 . 1.535(5) ?
C107 H107 . 1.0 ?
C108 H10G . 0.98 ?
C108 H10H . 0.98 ?
C108 H10I . 0.98 ?
C109 H10J . 0.98 ?
C109 H10K . 0.98 ?
C109 H10L . 0.98 ?
C110 H11A . 0.98 ?
C110 H11B . 0.98 ?
C110 H11C . 0.98 ?
C111 C113 . 1.378(6) ?
C111 C112 3_567 1.385(6) ?
C111 H111 . 0.95 ?
C112 C113 . 1.379(6) ?
C112 C111 3_567 1.385(6) ?
C112 H112 . 0.95 ?
C113 H113 . 0.95 ?
C114 C119 . 1.351(7) ?
C114 C115 . 1.366(8) ?
C114 H114 . 0.95 ?
C115 C116 . 1.422(9) ?
C115 H115 . 0.95 ?
C116 C117 . 1.391(9) ?
C116 H116 . 0.95 ?
C117 C118 . 1.342(7) ?
C117 H117 . 0.95 ?
C118 C119 . 1.347(7) ?
C118 H118 . 0.95 ?
C119 H119 . 0.95 ?
C501 C502 . 1.318(11) ?
C501 H501 . 0.95 ?
C502 C507 . 1.332(15) ?
C502 H502 . 0.95 ?
C507 C503 . 1.531(15) ?
C507 H507 . 0.95 ?
C503 H503 . 0.95 ?
C508 H50D . 0.98 ?
C508 H50E . 0.98 ?
C508 H50F . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C110 Sn2 C75 . . 108.95(13) ?
C110 Sn2 C13 . . 104.80(14) ?
C75 Sn2 C13 . . 108.14(13) ?
C110 Sn2 Pt2 . . 106.72(10) ?
C75 Sn2 Pt2 . . 137.20(9) ?
C13 Sn2 Pt2 . . 84.39(9) ?
C110 Sn2 P1 . . 101.42(10) ?
C75 Sn2 P1 . . 140.70(9) ?
C13 Sn2 P1 . . 38.24(9) ?
Pt2 Sn2 P1 . . 48.038(19) ?
P1 Pt2 P2 . . 101.76(4) ?
P1 Pt2 Sn2 . . 72.00(2) ?
P2 Pt2 Sn2 . . 168.13(3) ?
P1 Pt2 Sn1 . . 169.65(2) ?
P2 Pt2 Sn1 . . 71.84(3) ?
Sn2 Pt2 Sn1 . . 115.728(9) ?
C508 Sn1 C39 . . 107.74(13) ?
C508 Sn1 C20 . . 105.02(13) ?
C39 Sn1 C20 . . 109.12(13) ?
C508 Sn1 Pt2 . . 105.88(10) ?
C39 Sn1 Pt2 . . 139.10(9) ?
C20 Sn1 Pt2 . . 83.51(9) ?
C508 Sn1 P2 . . 98.59(10) ?
C39 Sn1 P2 . . 143.86(9) ?
C20 Sn1 P2 . . 38.38(9) ?
Pt2 Sn1 P2 . . 48.03(2) ?
C88 C200 C81 . . 119.5(3) ?
C88 C200 C80 . . 123.1(3) ?
C81 C200 C80 . . 117.0(3) ?
C7 P1 C13 . . 106.16(17) ?
C7 P1 C1 . . 102.73(17) ?
C13 P1 C1 . . 106.77(16) ?
C7 P1 Pt2 . . 115.74(12) ?
C13 P1 Pt2 . . 106.38(12) ?
C1 P1 Pt2 . . 118.20(12) ?
C7 P1 Sn2 . . 111.15(11) ?
C13 P1 Sn2 . . 49.24(11) ?
C1 P1 Sn2 . . 142.58(13) ?
Pt2 P1 Sn2 . . 59.96(2) ?
C27 P2 C33 . . 101.99(17) ?
C27 P2 C20 . . 108.21(17) ?
C33 P2 C20 . . 107.20(17) ?
C27 P2 Pt2 . . 115.58(13) ?
C33 P2 Pt2 . . 118.32(12) ?
C20 P2 Pt2 . . 105.05(12) ?
C27 P2 Sn1 . . 109.13(12) ?
C33 P2 Sn1 . . 145.55(12) ?
C20 P2 Sn1 . . 49.23(12) ?
Pt2 P2 Sn1 . . 60.13(2) ?
C504 C505 C501 . . 123.7(9) ?
C504 C505 H505 . . 118.2 ?
C501 C505 H505 . . 118.2 ?
C503 C504 C505 . . 125.6(11) ?
C503 C504 H504 . . 117.2 ?
C505 C504 H504 . . 117.2 ?
C6 C1 C2 . . 118.4(3) ?
C6 C1 P1 . . 121.7(3) ?
C2 C1 P1 . . 119.8(3) ?
C3 C2 C1 . . 120.6(4) ?
C3 C2 H2 . . 119.7 ?
C1 C2 H2 . . 119.7 ?
C4 C3 C2 . . 120.3(4) ?
C4 C3 H3 . . 119.9 ?
C2 C3 H3 . . 119.9 ?
C5 C4 C3 . . 119.6(4) ?
C5 C4 H4 . . 120.2 ?
C3 C4 H4 . . 120.2 ?
C4 C5 C6 . . 120.6(4) ?
C4 C5 H5 . . 119.7 ?
C6 C5 H5 . . 119.7 ?
C1 C6 C5 . . 120.5(4) ?
C1 C6 H6 . . 119.8 ?
C5 C6 H6 . . 119.8 ?
C8 C7 C12 . . 119.2(3) ?
C8 C7 P1 . . 119.8(3) ?
C12 C7 P1 . . 121.1(3) ?
C9 C8 C7 . . 119.8(4) ?
C9 C8 H8 . . 120.1 ?
C7 C8 H8 . . 120.1 ?
C10 C9 C8 . . 120.3(4) ?
C10 C9 H9 . . 119.8 ?
C8 C9 H9 . . 119.8 ?
C9 C10 C11 . . 120.2(4) ?
C9 C10 H10 . . 119.9 ?
C11 C10 H10 . . 119.9 ?
C12 C11 C10 . . 119.6(4) ?
C12 C11 H11 . . 120.2 ?
C10 C11 H11 . . 120.2 ?
C11 C12 C7 . . 120.8(4) ?
C11 C12 H12 . . 119.6 ?
C7 C12 H12 . . 119.6 ?
C14 C13 P1 . . 118.8(3) ?
C14 C13 Sn2 . . 127.9(2) ?
P1 C13 Sn2 . . 92.52(15) ?
C14 C13 H13 . . 105.1 ?
P1 C13 H13 . . 105.1 ?
Sn2 C13 H13 . . 105.1 ?
C19 C14 C15 . . 117.4(4) ?
C19 C14 C13 . . 120.7(3) ?
C15 C14 C13 . . 121.9(3) ?
C16 C15 C14 . . 121.1(4) ?
C16 C15 H15 . . 119.4 ?
C14 C15 H15 . . 119.4 ?
C15 C16 C17 . . 120.7(4) ?
C15 C16 H16 . . 119.6 ?
C17 C16 H16 . . 119.6 ?
C16 C17 C18 . . 119.5(4) ?
C16 C17 H17 . . 120.3 ?
C18 C17 H17 . . 120.3 ?
C17 C18 C19 . . 119.5(4) ?
C17 C18 H18 . . 120.3 ?
C19 C18 H18 . . 120.3 ?
C14 C19 C18 . . 121.7(4) ?
C14 C19 H19 . . 119.1 ?
C18 C19 H19 . . 119.1 ?
C21 C20 P2 . . 116.6(2) ?
C21 C20 Sn1 . . 130.0(3) ?
P2 C20 Sn1 . . 92.38(15) ?
C21 C20 H20 . . 105.1 ?
P2 C20 H20 . . 105.1 ?
Sn1 C20 H20 . . 105.1 ?
C22 C21 C26 . . 118.0(4) ?
C22 C21 C20 . . 121.3(3) ?
C26 C21 C20 . . 120.6(3) ?
C23 C22 C21 . . 121.8(4) ?
C23 C22 H22 . . 119.1 ?
C21 C22 H22 . . 119.1 ?
C24 C23 C22 . . 119.7(4) ?
C24 C23 H23 . . 120.1 ?
C22 C23 H23 . . 120.1 ?
C23 C24 C25 . . 120.0(4) ?
C23 C24 H24 . . 120.0 ?
C25 C24 H24 . . 120.0 ?
C24 C25 C26 . . 120.3(4) ?
C24 C25 H25 . . 119.9 ?
C26 C25 H25 . . 119.9 ?
C21 C26 C25 . . 120.2(4) ?
C21 C26 H26 . . 119.9 ?
C25 C26 H26 . . 119.9 ?
C28 C27 C32 . . 118.4(3) ?
C28 C27 P2 . . 119.6(3) ?
C32 C27 P2 . . 121.9(3) ?
C27 C28 C29 . . 121.3(4) ?
C27 C28 H28 . . 119.4 ?
C29 C28 H28 . . 119.4 ?
C30 C29 C28 . . 119.8(4) ?
C30 C29 H29 . . 120.1 ?
C28 C29 H29 . . 120.1 ?
C31 C30 C29 . . 119.8(3) ?
C31 C30 H30 . . 120.1 ?
C29 C30 H30 . . 120.1 ?
C32 C31 C30 . . 120.2(4) ?
C32 C31 H31 . . 119.9 ?
C30 C31 H31 . . 119.9 ?
C31 C32 C27 . . 120.5(4) ?
C31 C32 H32 . . 119.7 ?
C27 C32 H32 . . 119.7 ?
C34 C33 C38 . . 118.1(4) ?
C34 C33 P2 . . 120.5(3) ?
C38 C33 P2 . . 121.3(3) ?
C33 C34 C35 . . 120.2(4) ?
C33 C34 H34 . . 119.9 ?
C35 C34 H34 . . 119.9 ?
C36 C35 C34 . . 120.0(4) ?
C36 C35 H35 . . 120.0 ?
C34 C35 H35 . . 120.0 ?
C37 C36 C35 . . 120.8(4) ?
C37 C36 H36 . . 119.6 ?
C35 C36 H36 . . 119.6 ?
C36 C37 C38 . . 119.9(4) ?
C36 C37 H37 . . 120.1 ?
C38 C37 H37 . . 120.1 ?
C37 C38 C33 . . 121.0(4) ?
C37 C38 H38 . . 119.5 ?
C33 C38 H38 . . 119.5 ?
C44 C39 C40 . . 117.2(3) ?
C44 C39 Sn1 . . 121.8(3) ?
C40 C39 Sn1 . . 120.4(2) ?
C41 C40 C39 . . 120.1(3) ?
C41 C40 C60 . . 114.6(3) ?
C39 C40 C60 . . 125.1(3) ?
C42 C41 C40 . . 121.2(3) ?
C42 C41 H41 . . 119.4 ?
C40 C41 H41 . . 119.4 ?
C41 C42 C43 . . 119.0(3) ?
C41 C42 H42 . . 120.5 ?
C43 C42 H42 . . 120.5 ?
C42 C43 C44 . . 121.7(3) ?
C42 C43 H43 . . 119.2 ?
C44 C43 H43 . . 119.2 ?
C43 C44 C39 . . 119.9(3) ?
C43 C44 C45 . . 114.2(3) ?
C39 C44 C45 . . 125.3(3) ?
C46 C45 C53 . . 119.1(3) ?
C46 C45 C44 . . 118.5(3) ?
C53 C45 C44 . . 121.8(3) ?
C47 C46 C45 . . 119.1(3) ?
C47 C46 C57 . . 118.3(3) ?
C45 C46 C57 . . 122.6(3) ?
C48 C47 C46 . . 123.0(4) ?
C48 C47 H47 . . 118.5 ?
C46 C47 H47 . . 118.5 ?
C47 C48 C52 . . 116.9(4) ?
C47 C48 C49 . . 120.4(4) ?
C52 C48 C49 . . 122.8(4) ?
C50 C49 C51 . . 110.0(5) ?
C50 C49 C48 . . 112.8(4) ?
C51 C49 C48 . . 112.3(3) ?
C50 C49 H49 . . 107.1 ?
C51 C49 H49 . . 107.1 ?
C48 C49 H49 . . 107.1 ?
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 ?
C48 C52 C53 . . 122.9(4) ?
C48 C52 H52 . . 118.5 ?
C53 C52 H52 . . 118.5 ?
C52 C53 C45 . . 118.9(4) ?
C52 C53 C54 . . 119.5(3) ?
C45 C53 C54 . . 121.5(3) ?
C53 C54 C56 . . 112.6(3) ?
C53 C54 C55 . . 111.4(3) ?
C56 C54 C55 . . 110.4(4) ?
C53 C54 H54 . . 107.4 ?
C56 C54 H54 . . 107.4 ?
C55 C54 H54 . . 107.4 ?
C54 C55 H55A . . 109.5 ?
C54 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
C54 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
C54 C56 H56A . . 109.5 ?
C54 C56 H56B . . 109.5 ?
H56A C56 H56B . . 109.5 ?
C54 C56 H56C . . 109.5 ?
H56A C56 H56C . . 109.5 ?
H56B C56 H56C . . 109.5 ?
C58 C57 C46 . . 114.7(4) ?
C58 C57 C59 . . 108.7(3) ?
C46 C57 C59 . . 110.9(3) ?
C58 C57 H57 . . 107.4 ?
C46 C57 H57 . . 107.4 ?
C59 C57 H57 . . 107.4 ?
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 ?
C68 C60 C61 . . 119.5(3) ?
C68 C60 C40 . . 122.0(3) ?
C61 C60 C40 . . 118.3(3) ?
C62 C61 C60 . . 119.1(3) ?
C62 C61 C72 . . 119.4(3) ?
C60 C61 C72 . . 121.5(3) ?
C63 C62 C61 . . 122.4(3) ?
C63 C62 H62 . . 118.8 ?
C61 C62 H62 . . 118.8 ?
C67 C63 C62 . . 117.1(3) ?
C67 C63 C64 . . 120.7(3) ?
C62 C63 C64 . . 122.3(3) ?
C66 C64 C63 . . 111.6(3) ?
C66 C64 C65 . . 110.9(3) ?
C63 C64 C65 . . 112.2(3) ?
C66 C64 H64 . . 107.3 ?
C63 C64 H64 . . 107.3 ?
C65 C64 H64 . . 107.3 ?
C64 C65 H65A . . 109.5 ?
C64 C65 H65B . . 109.5 ?
H65A C65 H65B . . 109.5 ?
C64 C65 H65C . . 109.5 ?
H65A C65 H65C . . 109.5 ?
H65B C65 H65C . . 109.5 ?
C64 C66 H66A . . 109.5 ?
C64 C66 H66B . . 109.5 ?
H66A C66 H66B . . 109.5 ?
C64 C66 H66C . . 109.5 ?
H66A C66 H66C . . 109.5 ?
H66B C66 H66C . . 109.5 ?
C63 C67 C68 . . 123.3(4) ?
C63 C67 H67 . . 118.4 ?
C68 C67 H67 . . 118.4 ?
C67 C68 C60 . . 118.6(3) ?
C67 C68 C69 . . 118.4(3) ?
C60 C68 C69 . . 122.9(3) ?
C71 C69 C68 . . 109.6(3) ?
C71 C69 C70 . . 109.7(3) ?
C68 C69 C70 . . 112.5(3) ?
C71 C69 H69 . . 108.3 ?
C68 C69 H69 . . 108.3 ?
C70 C69 H69 . . 108.3 ?
C69 C70 H70A . . 109.5 ?
C69 C70 H70B . . 109.5 ?
H70A C70 H70B . . 109.5 ?
C69 C70 H70C . . 109.5 ?
H70A C70 H70C . . 109.5 ?
H70B C70 H70C . . 109.5 ?
C69 C71 H71A . . 109.5 ?
C69 C71 H71B . . 109.5 ?
H71A C71 H71B . . 109.5 ?
C69 C71 H71C . . 109.5 ?
H71A C71 H71C . . 109.5 ?
H71B C71 H71C . . 109.5 ?
C73 C72 C74 . . 109.6(3) ?
C73 C72 C61 . . 110.9(3) ?
C74 C72 C61 . . 114.7(3) ?
C73 C72 H72 . . 107.1 ?
C74 C72 H72 . . 107.1 ?
C61 C72 H72 . . 107.1 ?
C72 C73 H73A . . 109.5 ?
C72 C73 H73B . . 109.5 ?
H73A C73 H73B . . 109.5 ?
C72 C73 H73C . . 109.5 ?
H73A C73 H73C . . 109.5 ?
H73B C73 H73C . . 109.5 ?
C72 C74 H74A . . 109.5 ?
C72 C74 H74B . . 109.5 ?
H74A C74 H74B . . 109.5 ?
C72 C74 H74C . . 109.5 ?
H74A C74 H74C . . 109.5 ?
H74B C74 H74C . . 109.5 ?
C80 C75 C76 . . 117.2(3) ?
C80 C75 Sn2 . . 122.6(3) ?
C76 C75 Sn2 . . 119.6(2) ?
C77 C76 C75 . . 120.2(3) ?
C77 C76 C95 . . 115.1(3) ?
C75 C76 C95 . . 124.4(3) ?
C78 C77 C76 . . 121.1(3) ?
C78 C77 H77 . . 119.4 ?
C76 C77 H77 . . 119.4 ?
C77 C78 C79 . . 119.1(4) ?
C77 C78 H78 . . 120.5 ?
C79 C78 H78 . . 120.5 ?
C78 C79 C80 . . 121.2(3) ?
C78 C79 H79 . . 119.4 ?
C80 C79 H79 . . 119.4 ?
C79 C80 C75 . . 120.1(3) ?
C79 C80 C200 . . 114.9(3) ?
C75 C80 C200 . . 124.1(3) ?
C85 C81 C200 . . 118.6(3) ?
C85 C81 C82 . . 118.7(3) ?
C200 C81 C82 . . 122.4(3) ?
C81 C82 C83 . . 113.7(3) ?
C81 C82 C84 . . 109.1(3) ?
C83 C82 C84 . . 110.3(3) ?
C81 C82 H82 . . 107.8 ?
C83 C82 H82 . . 107.8 ?
C84 C82 H82 . . 107.8 ?
C82 C83 H83A . . 109.5 ?
C82 C83 H83B . . 109.5 ?
H83A C83 H83B . . 109.5 ?
C82 C83 H83C . . 109.5 ?
H83A C83 H83C . . 109.5 ?
H83B C83 H83C . . 109.5 ?
C82 C84 H84A . . 109.5 ?
C82 C84 H84B . . 109.5 ?
H84A C84 H84B . . 109.5 ?
C82 C84 H84C . . 109.5 ?
H84A C84 H84C . . 109.5 ?
H84B C84 H84C . . 109.5 ?
C86 C85 C81 . . 122.7(4) ?
C86 C85 H85 . . 118.7 ?
C81 C85 H85 . . 118.7 ?
C85 C86 C87 . . 117.8(3) ?
C85 C86 C92 . . 121.1(3) ?
C87 C86 C92 . . 121.0(3) ?
C86 C87 C88 . . 122.1(3) ?
C86 C87 H87 . . 118.9 ?
C88 C87 H87 . . 118.9 ?
C87 C88 C200 . . 119.2(3) ?
C87 C88 C89 . . 119.8(3) ?
C200 C88 C89 . . 120.9(3) ?
C88 C89 C90 . . 113.4(3) ?
C88 C89 C91 . . 110.9(3) ?
C90 C89 C91 . . 110.8(3) ?
C88 C89 H89 . . 107.1 ?
C90 C89 H89 . . 107.1 ?
C91 C89 H89 . . 107.1 ?
C89 C90 H90A . . 109.5 ?
C89 C90 H90B . . 109.5 ?
H90A C90 H90B . . 109.5 ?
C89 C90 H90C . . 109.5 ?
H90A C90 H90C . . 109.5 ?
H90B C90 H90C . . 109.5 ?
C89 C91 H91A . . 109.5 ?
C89 C91 H91B . . 109.5 ?
H91A C91 H91B . . 109.5 ?
C89 C91 H91C . . 109.5 ?
H91A C91 H91C . . 109.5 ?
H91B C91 H91C . . 109.5 ?
C93 C92 C86 . . 110.3(3) ?
C93 C92 C94 . . 110.7(3) ?
C86 C92 C94 . . 113.1(3) ?
C93 C92 H92 . . 107.5 ?
C86 C92 H92 . . 107.5 ?
C94 C92 H92 . . 107.5 ?
C92 C93 H93A . . 109.5 ?
C92 C93 H93B . . 109.5 ?
H93A C93 H93B . . 109.5 ?
C92 C93 H93C . . 109.5 ?
H93A C93 H93C . . 109.5 ?
H93B C93 H93C . . 109.5 ?
C92 C94 H94A . . 109.5 ?
C92 C94 H94B . . 109.5 ?
H94A C94 H94B . . 109.5 ?
C92 C94 H94C . . 109.5 ?
H94A C94 H94C . . 109.5 ?
H94B C94 H94C . . 109.5 ?
C103 C95 C96 . . 119.7(3) ?
C103 C95 C76 . . 120.2(3) ?
C96 C95 C76 . . 119.9(3) ?
C97 C96 C95 . . 118.8(4) ?
C97 C96 C107 . . 119.4(3) ?
C95 C96 C107 . . 121.7(3) ?
C98 C97 C96 . . 122.2(4) ?
C98 C97 H97 . . 118.9 ?
C96 C97 H97 . . 118.9 ?
C97 C98 C102 . . 118.4(3) ?
C97 C98 C99 . . 120.0(4) ?
C102 C98 C99 . . 121.5(4) ?
C100 C99 C101 . . 117.3(4) ?
C100 C99 C98 . . 115.1(4) ?
C101 C99 C98 . . 111.1(4) ?
C100 C99 H99 . . 103.8 ?
C101 C99 H99 . . 103.8 ?
C98 C99 H99 . . 103.8 ?
C99 C100 H10A . . 109.5 ?
C99 C100 H10B . . 109.5 ?
H10A C100 H10B . . 109.5 ?
C99 C100 H10C . . 109.5 ?
H10A C100 H10C . . 109.5 ?
H10B C100 H10C . . 109.5 ?
C99 C101 H10D . . 109.5 ?
C99 C101 H10E . . 109.5 ?
H10D C101 H10E . . 109.5 ?
C99 C101 H10F . . 109.5 ?
H10D C101 H10F . . 109.5 ?
H10E C101 H10F . . 109.5 ?
C98 C102 C103 . . 121.3(4) ?
C98 C102 H102 . . 119.3 ?
C103 C102 H102 . . 119.3 ?
C95 C103 C102 . . 119.5(4) ?
C95 C103 C104 . . 121.5(3) ?
C102 C103 C104 . . 119.0(3) ?
C105 C104 C103 . . 111.3(3) ?
C105 C104 C106 . . 112.0(4) ?
C103 C104 C106 . . 111.4(3) ?
C105 C104 H104 . . 107.3 ?
C103 C104 H104 . . 107.3 ?
C106 C104 H104 . . 107.3 ?
C104 C105 H10N . . 109.5 ?
C104 C105 H10O . . 109.5 ?
H10N C105 H10O . . 109.5 ?
C104 C105 H10P . . 109.5 ?
H10N C105 H10P . . 109.5 ?
H10O C105 H10P . . 109.5 ?
C104 C106 H10S . . 109.5 ?
C104 C106 H10Q . . 109.5 ?
H10S C106 H10Q . . 109.5 ?
C104 C106 H10R . . 109.5 ?
H10S C106 H10R . . 109.5 ?
H10Q C106 H10R . . 109.5 ?
C108 C107 C96 . . 114.1(3) ?
C108 C107 C109 . . 109.7(3) ?
C96 C107 C109 . . 110.0(3) ?
C108 C107 H107 . . 107.6 ?
C96 C107 H107 . . 107.6 ?
C109 C107 H107 . . 107.6 ?
C107 C108 H10G . . 109.5 ?
C107 C108 H10H . . 109.5 ?
H10G C108 H10H . . 109.5 ?
C107 C108 H10I . . 109.5 ?
H10G C108 H10I . . 109.5 ?
H10H C108 H10I . . 109.5 ?
C107 C109 H10J . . 109.5 ?
C107 C109 H10K . . 109.5 ?
H10J C109 H10K . . 109.5 ?
C107 C109 H10L . . 109.5 ?
H10J C109 H10L . . 109.5 ?
H10K C109 H10L . . 109.5 ?
Sn2 C110 H11A . . 109.5 ?
Sn2 C110 H11B . . 109.5 ?
H11A C110 H11B . . 109.5 ?
Sn2 C110 H11C . . 109.5 ?
H11A C110 H11C . . 109.5 ?
H11B C110 H11C . . 109.5 ?
C113 C111 C112 . 3_567 119.8(4) ?
C113 C111 H111 . . 120.1 ?
C112 C111 H111 3_567 . 120.1 ?
C113 C112 C111 . 3_567 120.0(4) ?
C113 C112 H112 . . 120.0 ?
C111 C112 H112 3_567 . 120.0 ?
C111 C113 C112 . . 120.1(4) ?
C111 C113 H113 . . 119.9 ?
C112 C113 H113 . . 119.9 ?
C119 C114 C115 . . 120.9(6) ?
C119 C114 H114 . . 119.6 ?
C115 C114 H114 . . 119.6 ?
C114 C115 C116 . . 118.6(6) ?
C114 C115 H115 . . 120.7 ?
C116 C115 H115 . . 120.7 ?
C117 C116 C115 . . 118.1(6) ?
C117 C116 H116 . . 121.0 ?
C115 C116 H116 . . 121.0 ?
C118 C117 C116 . . 120.7(6) ?
C118 C117 H117 . . 119.7 ?
C116 C117 H117 . . 119.7 ?
C117 C118 C119 . . 120.8(6) ?
C117 C118 H118 . . 119.6 ?
C119 C118 H118 . . 119.6 ?
C118 C119 C114 . . 121.0(6) ?
C118 C119 H119 . . 119.5 ?
C114 C119 H119 . . 119.5 ?
C502 C501 C505 . . 112.7(11) ?
C502 C501 H501 . . 123.7 ?
C505 C501 H501 . . 123.7 ?
C501 C502 C507 . . 127.7(11) ?
C501 C502 H502 . . 116.1 ?
C507 C502 H502 . . 116.1 ?
C502 C507 C503 . . 118.8(9) ?
C502 C507 H507 . . 120.6 ?
C503 C507 H507 . . 120.6 ?
C504 C503 C507 . . 111.1(11) ?
C504 C503 H503 . . 124.4 ?
C507 C503 H503 . . 124.4 ?
Sn1 C508 H50D . . 109.5 ?
Sn1 C508 H50E . . 109.5 ?
H50D C508 H50E . . 109.5 ?
Sn1 C508 H50F . . 109.5 ?
H50D C508 H50F . . 109.5 ?
H50E C508 H50F . . 109.5 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C110 Sn2 Pt2 P1 . . . . -90.45(11) ?
C75 Sn2 Pt2 P1 . . . . 124.10(14) ?
C13 Sn2 Pt2 P1 . . . . 13.34(10) ?
C110 Sn2 Pt2 P2 . . . . -30.68(16) ?
C75 Sn2 Pt2 P2 . . . . -176.13(18) ?
C13 Sn2 Pt2 P2 . . . . 73.12(15) ?
P1 Sn2 Pt2 P2 . . . . 59.77(12) ?
C110 Sn2 Pt2 Sn1 . . . . 96.98(10) ?
C75 Sn2 Pt2 Sn1 . . . . -48.47(14) ?
C13 Sn2 Pt2 Sn1 . . . . -159.22(9) ?
P1 Sn2 Pt2 Sn1 . . . . -172.57(3) ?
P1 Pt2 Sn1 C508 . . . . -34.25(18) ?
P2 Pt2 Sn1 C508 . . . . -87.31(10) ?
Sn2 Pt2 Sn1 C508 . . . . 102.56(10) ?
P1 Pt2 Sn1 C39 . . . . -178.6(2) ?
P2 Pt2 Sn1 C39 . . . . 128.37(14) ?
Sn2 Pt2 Sn1 C39 . . . . -41.77(14) ?
P1 Pt2 Sn1 C20 . . . . 69.56(17) ?
P2 Pt2 Sn1 C20 . . . . 16.51(9) ?
Sn2 Pt2 Sn1 C20 . . . . -153.62(9) ?
P1 Pt2 Sn1 P2 . . . . 53.05(15) ?
Sn2 Pt2 Sn1 P2 . . . . -170.13(3) ?
P2 Pt2 P1 C7 . . . . -68.94(13) ?
Sn2 Pt2 P1 C7 . . . . 100.60(13) ?
Sn1 Pt2 P1 C7 . . . . -119.81(17) ?
P2 Pt2 P1 C13 . . . . 173.42(12) ?
Sn2 Pt2 P1 C13 . . . . -17.04(12) ?
Sn1 Pt2 P1 C13 . . . . 122.55(17) ?
P2 Pt2 P1 C1 . . . . 53.49(15) ?
Sn2 Pt2 P1 C1 . . . . -136.97(14) ?
Sn1 Pt2 P1 C1 . . . . 2.6(2) ?
P2 Pt2 P1 Sn2 . . . . -169.54(2) ?
Sn1 Pt2 P1 Sn2 . . . . 139.59(14) ?
C110 Sn2 P1 C7 . . . . -6.01(17) ?
C75 Sn2 P1 C7 . . . . 134.3(2) ?
C13 Sn2 P1 C7 . . . . 93.5(2) ?
Pt2 Sn2 P1 C7 . . . . -108.31(13) ?
C110 Sn2 P1 C13 . . . . -99.48(18) ?
C75 Sn2 P1 C13 . . . . 40.9(2) ?
Pt2 Sn2 P1 C13 . . . . 158.22(15) ?
C110 Sn2 P1 C1 . . . . -159.5(2) ?
C75 Sn2 P1 C1 . . . . -19.1(3) ?
C13 Sn2 P1 C1 . . . . -60.0(2) ?
Pt2 Sn2 P1 C1 . . . . 98.2(2) ?
C110 Sn2 P1 Pt2 . . . . 102.31(10) ?
C75 Sn2 P1 Pt2 . . . . -117.34(15) ?
C13 Sn2 P1 Pt2 . . . . -158.22(15) ?
P1 Pt2 P2 C27 . . . . -73.28(14) ?
Sn2 Pt2 P2 C27 . . . . -130.36(16) ?
Sn1 Pt2 P2 C27 . . . . 98.28(14) ?
P1 Pt2 P2 C33 . . . . 48.02(14) ?
Sn2 Pt2 P2 C33 . . . . -9.1(2) ?
Sn1 Pt2 P2 C33 . . . . -140.41(14) ?
P1 Pt2 P2 C20 . . . . 167.54(12) ?
Sn2 Pt2 P2 C20 . . . . 110.47(16) ?
Sn1 Pt2 P2 C20 . . . . -20.89(12) ?
P1 Pt2 P2 Sn1 . . . . -171.56(2) ?
Sn2 Pt2 P2 Sn1 . . . . 131.36(11) ?
C508 Sn1 P2 C27 . . . . -5.46(17) ?
C39 Sn1 P2 C27 . . . . 131.4(2) ?
C20 Sn1 P2 C27 . . . . 97.9(2) ?
Pt2 Sn1 P2 C27 . . . . -109.13(14) ?
C508 Sn1 P2 C33 . . . . -158.9(2) ?
C39 Sn1 P2 C33 . . . . -22.0(3) ?
C20 Sn1 P2 C33 . . . . -55.5(3) ?
Pt2 Sn1 P2 C33 . . . . 97.5(2) ?
C508 Sn1 P2 C20 . . . . -103.38(18) ?
C39 Sn1 P2 C20 . . . . 33.5(2) ?
Pt2 Sn1 P2 C20 . . . . 152.95(15) ?
C508 Sn1 P2 Pt2 . . . . 103.67(10) ?
C39 Sn1 P2 Pt2 . . . . -119.48(16) ?
C20 Sn1 P2 Pt2 . . . . -152.95(15) ?
C501 C505 C504 C503 . . . . -2.1(16) ?
C7 P1 C1 C6 . . . . 32.3(4) ?
C13 P1 C1 C6 . . . . 143.8(3) ?
Pt2 P1 C1 C6 . . . . -96.5(3) ?
Sn2 P1 C1 C6 . . . . -173.0(2) ?
C7 P1 C1 C2 . . . . -150.7(3) ?
C13 P1 C1 C2 . . . . -39.3(3) ?
Pt2 P1 C1 C2 . . . . 80.5(3) ?
Sn2 P1 C1 C2 . . . . 4.0(4) ?
C6 C1 C2 C3 . . . . -0.5(6) ?
P1 C1 C2 C3 . . . . -177.6(3) ?
C1 C2 C3 C4 . . . . 0.7(6) ?
C2 C3 C4 C5 . . . . -0.3(6) ?
C3 C4 C5 C6 . . . . -0.3(6) ?
C2 C1 C6 C5 . . . . -0.1(6) ?
P1 C1 C6 C5 . . . . 176.9(3) ?
C4 C5 C6 C1 . . . . 0.5(6) ?
C13 P1 C7 C8 . . . . 110.9(3) ?
C1 P1 C7 C8 . . . . -137.1(3) ?
Pt2 P1 C7 C8 . . . . -6.8(3) ?
Sn2 P1 C7 C8 . . . . 59.0(3) ?
C13 P1 C7 C12 . . . . -67.3(3) ?
C1 P1 C7 C12 . . . . 44.6(3) ?
Pt2 P1 C7 C12 . . . . 174.9(3) ?
Sn2 P1 C7 C12 . . . . -119.2(3) ?
C12 C7 C8 C9 . . . . -1.4(6) ?
P1 C7 C8 C9 . . . . -179.7(3) ?
C7 C8 C9 C10 . . . . 0.5(6) ?
C8 C9 C10 C11 . . . . 0.7(7) ?
C9 C10 C11 C12 . . . . -1.0(6) ?
C10 C11 C12 C7 . . . . 0.1(6) ?
C8 C7 C12 C11 . . . . 1.1(6) ?
P1 C7 C12 C11 . . . . 179.3(3) ?
C7 P1 C13 C14 . . . . 32.3(3) ?
C1 P1 C13 C14 . . . . -76.8(3) ?
Pt2 P1 C13 C14 . . . . 156.1(2) ?
Sn2 P1 C13 C14 . . . . 136.6(3) ?
C7 P1 C13 Sn2 . . . . -104.26(16) ?
C1 P1 C13 Sn2 . . . . 146.66(14) ?
Pt2 P1 C13 Sn2 . . . . 19.56(13) ?
C110 Sn2 C13 C14 . . . . -40.4(3) ?
C75 Sn2 C13 C14 . . . . 75.7(3) ?
Pt2 Sn2 C13 C14 . . . . -146.3(3) ?
P1 Sn2 C13 C14 . . . . -130.2(4) ?
C110 Sn2 C13 P1 . . . . 89.75(16) ?
C75 Sn2 C13 P1 . . . . -154.14(13) ?
Pt2 Sn2 C13 P1 . . . . -16.10(11) ?
P1 C13 C14 C19 . . . . 94.4(4) ?
Sn2 C13 C14 C19 . . . . -146.2(3) ?
P1 C13 C14 C15 . . . . -86.5(4) ?
Sn2 C13 C14 C15 . . . . 32.9(5) ?
C19 C14 C15 C16 . . . . 2.2(6) ?
C13 C14 C15 C16 . . . . -177.0(4) ?
C14 C15 C16 C17 . . . . -0.1(6) ?
C15 C16 C17 C18 . . . . -1.9(6) ?
C16 C17 C18 C19 . . . . 1.9(6) ?
C15 C14 C19 C18 . . . . -2.2(6) ?
C13 C14 C19 C18 . . . . 177.0(4) ?
C17 C18 C19 C14 . . . . 0.2(6) ?
C27 P2 C20 C21 . . . . 37.8(3) ?
C33 P2 C20 C21 . . . . -71.5(3) ?
Pt2 P2 C20 C21 . . . . 161.8(2) ?
Sn1 P2 C20 C21 . . . . 137.7(3) ?
C27 P2 C20 Sn1 . . . . -99.89(16) ?
C33 P2 C20 Sn1 . . . . 150.79(14) ?
Pt2 P2 C20 Sn1 . . . . 24.10(13) ?
C508 Sn1 C20 C21 . . . . -43.5(3) ?
C39 Sn1 C20 C21 . . . . 71.8(3) ?
Pt2 Sn1 C20 C21 . . . . -148.2(3) ?
P2 Sn1 C20 C21 . . . . -128.3(4) ?
C508 Sn1 C20 P2 . . . . 84.86(16) ?
C39 Sn1 C20 P2 . . . . -159.86(13) ?
Pt2 Sn1 C20 P2 . . . . -19.89(11) ?
P2 C20 C21 C22 . . . . -93.1(4) ?
Sn1 C20 C21 C22 . . . . 25.6(5) ?
P2 C20 C21 C26 . . . . 83.1(4) ?
Sn1 C20 C21 C26 . . . . -158.2(3) ?
C26 C21 C22 C23 . . . . -0.7(6) ?
C20 C21 C22 C23 . . . . 175.6(4) ?
C21 C22 C23 C24 . . . . -0.5(6) ?
C22 C23 C24 C25 . . . . 0.9(6) ?
C23 C24 C25 C26 . . . . -0.2(6) ?
C22 C21 C26 C25 . . . . 1.4(6) ?
C20 C21 C26 C25 . . . . -175.0(3) ?
C24 C25 C26 C21 . . . . -1.0(6) ?
C33 P2 C27 C28 . . . . -126.3(3) ?
C20 P2 C27 C28 . . . . 120.9(3) ?
Pt2 P2 C27 C28 . . . . 3.4(4) ?
Sn1 P2 C27 C28 . . . . 68.7(3) ?
C33 P2 C27 C32 . . . . 50.0(3) ?
C20 P2 C27 C32 . . . . -62.8(3) ?
Pt2 P2 C27 C32 . . . . 179.7(3) ?
Sn1 P2 C27 C32 . . . . -115.0(3) ?
C32 C27 C28 C29 . . . . -0.6(6) ?
P2 C27 C28 C29 . . . . 175.9(3) ?
C27 C28 C29 C30 . . . . 0.1(6) ?
C28 C29 C30 C31 . . . . 0.2(6) ?
C29 C30 C31 C32 . . . . -0.1(6) ?
C30 C31 C32 C27 . . . . -0.4(6) ?
C28 C27 C32 C31 . . . . 0.7(6) ?
P2 C27 C32 C31 . . . . -175.6(3) ?
C27 P2 C33 C34 . . . . -158.6(3) ?
C20 P2 C33 C34 . . . . -45.0(4) ?
Pt2 P2 C33 C34 . . . . 73.4(3) ?
Sn1 P2 C33 C34 . . . . -4.2(5) ?
C27 P2 C33 C38 . . . . 25.7(4) ?
C20 P2 C33 C38 . . . . 139.2(3) ?
Pt2 P2 C33 C38 . . . . -102.4(3) ?
Sn1 P2 C33 C38 . . . . -180.0(2) ?
C38 C33 C34 C35 . . . . 1.2(6) ?
P2 C33 C34 C35 . . . . -174.7(3) ?
C33 C34 C35 C36 . . . . 0.0(7) ?
C34 C35 C36 C37 . . . . -1.0(7) ?
C35 C36 C37 C38 . . . . 0.7(7) ?
C36 C37 C38 C33 . . . . 0.6(6) ?
C34 C33 C38 C37 . . . . -1.5(6) ?
P2 C33 C38 C37 . . . . 174.3(3) ?
C508 Sn1 C39 C44 . . . . 154.6(3) ?
C20 Sn1 C39 C44 . . . . 41.1(3) ?
Pt2 Sn1 C39 C44 . . . . -61.5(3) ?
P2 Sn1 C39 C44 . . . . 19.8(4) ?
C508 Sn1 C39 C40 . . . . -34.4(3) ?
C20 Sn1 C39 C40 . . . . -147.9(3) ?
Pt2 Sn1 C39 C40 . . . . 109.6(3) ?
P2 Sn1 C39 C40 . . . . -169.1(2) ?
C44 C39 C40 C41 . . . . 9.8(5) ?
Sn1 C39 C40 C41 . . . . -161.7(3) ?
C44 C39 C40 C60 . . . . -163.7(3) ?
Sn1 C39 C40 C60 . . . . 24.9(5) ?
C39 C40 C41 C42 . . . . -2.7(6) ?
C60 C40 C41 C42 . . . . 171.4(3) ?
C40 C41 C42 C43 . . . . -4.5(6) ?
C41 C42 C43 C44 . . . . 4.3(6) ?
C42 C43 C44 C39 . . . . 3.1(6) ?
C42 C43 C44 C45 . . . . -168.8(3) ?
C40 C39 C44 C43 . . . . -10.0(5) ?
Sn1 C39 C44 C43 . . . . 161.4(3) ?
C40 C39 C44 C45 . . . . 160.9(3) ?
Sn1 C39 C44 C45 . . . . -27.7(5) ?
C43 C44 C45 C46 . . . . 86.4(4) ?
C39 C44 C45 C46 . . . . -85.0(5) ?
C43 C44 C45 C53 . . . . -84.4(4) ?
C39 C44 C45 C53 . . . . 104.3(4) ?
C53 C45 C46 C47 . . . . -1.6(5) ?
C44 C45 C46 C47 . . . . -172.6(3) ?
C53 C45 C46 C57 . . . . 174.9(3) ?
C44 C45 C46 C57 . . . . 3.9(5) ?
C45 C46 C47 C48 . . . . 2.2(6) ?
C57 C46 C47 C48 . . . . -174.5(4) ?
C46 C47 C48 C52 . . . . -1.2(6) ?
C46 C47 C48 C49 . . . . 177.7(3) ?
C47 C48 C49 C50 . . . . 128.6(5) ?
C52 C48 C49 C50 . . . . -52.6(6) ?
C47 C48 C49 C51 . . . . -106.4(5) ?
C52 C48 C49 C51 . . . . 72.4(5) ?
C47 C48 C52 C53 . . . . -0.4(6) ?
C49 C48 C52 C53 . . . . -179.2(4) ?
C48 C52 C53 C45 . . . . 0.8(6) ?
C48 C52 C53 C54 . . . . 177.8(3) ?
C46 C45 C53 C52 . . . . 0.2(5) ?
C44 C45 C53 C52 . . . . 170.9(3) ?
C46 C45 C53 C54 . . . . -176.7(3) ?
C44 C45 C53 C54 . . . . -6.0(5) ?
C52 C53 C54 C56 . . . . 50.9(5) ?
C45 C53 C54 C56 . . . . -132.2(4) ?
C52 C53 C54 C55 . . . . -73.8(5) ?
C45 C53 C54 C55 . . . . 103.1(4) ?
C47 C46 C57 C58 . . . . -36.2(5) ?
C45 C46 C57 C58 . . . . 147.3(4) ?
C47 C46 C57 C59 . . . . 87.3(5) ?
C45 C46 C57 C59 . . . . -89.2(4) ?
C41 C40 C60 C68 . . . . 76.6(4) ?
C39 C40 C60 C68 . . . . -109.6(4) ?
C41 C40 C60 C61 . . . . -97.6(4) ?
C39 C40 C60 C61 . . . . 76.2(5) ?
C68 C60 C61 C62 . . . . 1.7(5) ?
C40 C60 C61 C62 . . . . 176.0(3) ?
C68 C60 C61 C72 . . . . -176.6(3) ?
C40 C60 C61 C72 . . . . -2.3(5) ?
C60 C61 C62 C63 . . . . 1.3(6) ?
C72 C61 C62 C63 . . . . 179.7(3) ?
C61 C62 C63 C67 . . . . -2.6(6) ?
C61 C62 C63 C64 . . . . 178.0(3) ?
C67 C63 C64 C66 . . . . -101.5(4) ?
C62 C63 C64 C66 . . . . 77.9(5) ?
C67 C63 C64 C65 . . . . 133.3(4) ?
C62 C63 C64 C65 . . . . -47.3(5) ?
C62 C63 C67 C68 . . . . 0.9(6) ?
C64 C63 C67 C68 . . . . -179.8(4) ?
C63 C67 C68 C60 . . . . 2.1(6) ?
C63 C67 C68 C69 . . . . 178.6(3) ?
C61 C60 C68 C67 . . . . -3.4(5) ?
C40 C60 C68 C67 . . . . -177.5(3) ?
C61 C60 C68 C69 . . . . -179.7(3) ?
C40 C60 C68 C69 . . . . 6.2(5) ?
C67 C68 C69 C71 . . . . -75.8(4) ?
C60 C68 C69 C71 . . . . 100.6(4) ?
C67 C68 C69 C70 . . . . 46.7(5) ?
C60 C68 C69 C70 . . . . -137.0(4) ?
C62 C61 C72 C73 . . . . -91.3(4) ?
C60 C61 C72 C73 . . . . 87.0(4) ?
C62 C61 C72 C74 . . . . 33.4(5) ?
C60 C61 C72 C74 . . . . -148.3(4) ?
C110 Sn2 C75 C80 . . . . 157.9(3) ?
C13 Sn2 C75 C80 . . . . 44.5(3) ?
Pt2 Sn2 C75 C80 . . . . -57.2(4) ?
P1 Sn2 C75 C80 . . . . 19.3(4) ?
C110 Sn2 C75 C76 . . . . -30.9(3) ?
C13 Sn2 C75 C76 . . . . -144.3(3) ?
Pt2 Sn2 C75 C76 . . . . 114.1(3) ?
P1 Sn2 C75 C76 . . . . -169.5(2) ?
C80 C75 C76 C77 . . . . 9.2(5) ?
Sn2 C75 C76 C77 . . . . -162.5(3) ?
C80 C75 C76 C95 . . . . -165.6(3) ?
Sn2 C75 C76 C95 . . . . 22.7(5) ?
C75 C76 C77 C78 . . . . -1.3(6) ?
C95 C76 C77 C78 . . . . 174.0(3) ?
C76 C77 C78 C79 . . . . -6.0(6) ?
C77 C78 C79 C80 . . . . 5.0(6) ?
C78 C79 C80 C75 . . . . 3.3(6) ?
C78 C79 C80 C200 . . . . -166.7(3) ?
C76 C75 C80 C79 . . . . -10.2(5) ?
Sn2 C75 C80 C79 . . . . 161.2(3) ?
C76 C75 C80 C200 . . . . 158.8(3) ?
Sn2 C75 C80 C200 . . . . -29.8(5) ?
C88 C200 C80 C79 . . . . -88.5(4) ?
C81 C200 C80 C79 . . . . 84.4(4) ?
C88 C200 C80 C75 . . . . 102.0(4) ?
C81 C200 C80 C75 . . . . -85.1(4) ?
C88 C200 C81 C85 . . . . -2.4(5) ?
C80 C200 C81 C85 . . . . -175.6(3) ?
C88 C200 C81 C82 . . . . 170.6(3) ?
C80 C200 C81 C82 . . . . -2.6(5) ?
C85 C81 C82 C83 . . . . -56.2(5) ?
C200 C81 C82 C83 . . . . 130.8(4) ?
C85 C81 C82 C84 . . . . 67.4(4) ?
C200 C81 C82 C84 . . . . -105.6(4) ?
C200 C81 C85 C86 . . . . 2.1(6) ?
C82 C81 C85 C86 . . . . -171.2(3) ?
C81 C85 C86 C87 . . . . 0.1(6) ?
C81 C85 C86 C92 . . . . 176.8(3) ?
C85 C86 C87 C88 . . . . -2.0(5) ?
C92 C86 C87 C88 . . . . -178.8(3) ?
C86 C87 C88 C200 . . . . 1.7(5) ?
C86 C87 C88 C89 . . . . 178.1(3) ?
C81 C200 C88 C87 . . . . 0.6(5) ?
C80 C200 C88 C87 . . . . 173.3(3) ?
C81 C200 C88 C89 . . . . -175.8(3) ?
C80 C200 C88 C89 . . . . -3.0(5) ?
C87 C88 C89 C90 . . . . 47.7(5) ?
C200 C88 C89 C90 . . . . -136.0(4) ?
C87 C88 C89 C91 . . . . -77.7(4) ?
C200 C88 C89 C91 . . . . 98.6(4) ?
C85 C86 C92 C93 . . . . -67.5(5) ?
C87 C86 C92 C93 . . . . 109.1(4) ?
C85 C86 C92 C94 . . . . 57.2(5) ?
C87 C86 C92 C94 . . . . -126.2(4) ?
C77 C76 C95 C103 . . . . 75.3(5) ?
C75 C76 C95 C103 . . . . -109.7(4) ?
C77 C76 C95 C96 . . . . -98.6(4) ?
C75 C76 C95 C96 . . . . 76.4(5) ?
C103 C95 C96 C97 . . . . -1.5(5) ?
C76 C95 C96 C97 . . . . 172.5(3) ?
C103 C95 C96 C107 . . . . -179.5(3) ?
C76 C95 C96 C107 . . . . -5.6(5) ?
C95 C96 C97 C98 . . . . 0.5(6) ?
C107 C96 C97 C98 . . . . 178.6(4) ?
C96 C97 C98 C102 . . . . 0.4(6) ?
C96 C97 C98 C99 . . . . -178.8(4) ?
C97 C98 C99 C100 . . . . 130.8(5) ?
C102 C98 C99 C100 . . . . -48.4(6) ?
C97 C98 C99 C101 . . . . -92.9(6) ?
C102 C98 C99 C101 . . . . 87.9(6) ?
C97 C98 C102 C103 . . . . -0.4(6) ?
C99 C98 C102 C103 . . . . 178.8(4) ?
C96 C95 C103 C102 . . . . 1.5(5) ?
C76 C95 C103 C102 . . . . -172.4(3) ?
C96 C95 C103 C104 . . . . -178.4(3) ?
C76 C95 C103 C104 . . . . 7.6(5) ?
C98 C102 C103 C95 . . . . -0.5(6) ?
C98 C102 C103 C104 . . . . 179.4(4) ?
C95 C103 C104 C105 . . . . 117.6(4) ?
C102 C103 C104 C105 . . . . -62.3(5) ?
C95 C103 C104 C106 . . . . -116.7(4) ?
C102 C103 C104 C106 . . . . 63.4(5) ?
C97 C96 C107 C108 . . . . 28.8(5) ?
C95 C96 C107 C108 . . . . -153.2(4) ?
C97 C96 C107 C109 . . . . -95.0(4) ?
C95 C96 C107 C109 . . . . 83.1(4) ?
C112 C111 C113 C112 3_567 . . . -1.0(7) ?
C111 C112 C113 C111 3_567 . . . 1.0(7) ?
C119 C114 C115 C116 . . . . -0.1(8) ?
C114 C115 C116 C117 . . . . -0.8(8) ?
C115 C116 C117 C118 . . . . 1.4(8) ?
C116 C117 C118 C119 . . . . -1.0(8) ?
C117 C118 C119 C114 . . . . 0.0(7) ?
C115 C114 C119 C118 . . . . 0.5(7) ?
C504 C505 C501 C502 . . . . -0.7(15) ?
C505 C501 C502 C507 . . . . 6.(2) ?
C501 C502 C507 C503 . . . . -8.(2) ?
C505 C504 C503 C507 . . . . 0.2(15) ?
C502 C507 C503 C504 . . . . 4.3(18) ?

####################################################################### 
# 
# 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_KK200_0m
_database_code_depnum_ccdc_archive 'CCDC 1575456'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H63 P Pd Sn'
_chemical_formula_weight         968.10

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   11.8542(3)
_cell_length_b                   29.1032(7)
_cell_length_c                   13.0527(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.1220(10)
_cell_angle_gamma                90
_cell_volume                     4477.44(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9987
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      27.08

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             1992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.217
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.031
_shelx_estimated_absorpt_T_min   0.807
_shelx_estimated_absorpt_T_max   0.922
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8663
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            39321
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.455
_diffrn_reflns_theta_max         27.109
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9866
_reflns_number_gt                7991
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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)+(0.0253P)²+3.2936P] 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         9866
_refine_ls_number_parameters     526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0625
_refine_ls_wR_factor_gt          0.0574
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.004
_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 0.11983(2) 0.85041(2) 0.14197(2) 0.01418(5) Uani 1 1 d . . . . .
Pd1 Pd 0.22208(2) 0.81784(2) 0.31538(2) 0.01561(5) Uani 1 1 d . . . . .
P1 P 0.19977(5) 0.88811(2) 0.37680(5) 0.01462(13) Uani 1 1 d . . . . .
C1 C 0.1660(2) 0.92296(8) 0.17895(19) 0.0163(5) Uani 1 1 d . . . . .
C2 C 0.1965(2) 0.93481(8) 0.2825(2) 0.0164(5) Uani 1 1 d . . . . .
C3 C 0.2170(2) 0.98068(9) 0.3118(2) 0.0192(5) Uani 1 1 d . . . . .
H3 H 0.2378 0.9881 0.3822 0.023 Uiso 1 1 calc R U . . .
C4 C 0.2069(2) 1.01502(9) 0.2387(2) 0.0221(6) Uani 1 1 d . . . . .
H4 H 0.2228 1.0460 0.2582 0.026 Uiso 1 1 calc R U . . .
C5 C 0.1736(2) 1.00421(9) 0.1364(2) 0.0232(6) Uani 1 1 d . . . . .
H5 H 0.1651 1.0279 0.0862 0.028 Uiso 1 1 calc R U . . .
C6 C 0.1528(2) 0.95914(9) 0.1073(2) 0.0208(6) Uani 1 1 d . . . . .
H6 H 0.1290 0.9524 0.0371 0.025 Uiso 1 1 calc R U . . .
C7 C 0.0690(2) 0.89691(8) 0.43758(19) 0.0161(5) Uani 1 1 d . . . . .
C8 C 0.0534(2) 0.93433(8) 0.5015(2) 0.0186(5) Uani 1 1 d . . . . .
H8 H 0.1128 0.9560 0.5161 0.022 Uiso 1 1 calc R U . . .
C9 C -0.0480(2) 0.94008(9) 0.5438(2) 0.0207(6) Uani 1 1 d . . . . .
H9 H -0.0576 0.9656 0.5875 0.025 Uiso 1 1 calc R U . . .
C10 C -0.1351(2) 0.90885(9) 0.5226(2) 0.0224(6) Uani 1 1 d . . . . .
H10 H -0.2046 0.9128 0.5516 0.027 Uiso 1 1 calc R U . . .
C11 C -0.1207(2) 0.87166(9) 0.4587(2) 0.0229(6) Uani 1 1 d . . . . .
H11 H -0.1807 0.8503 0.4435 0.027 Uiso 1 1 calc R U . . .
C12 C -0.0195(2) 0.86564(9) 0.4172(2) 0.0199(6) Uani 1 1 d . . . . .
H12 H -0.0101 0.8399 0.3742 0.024 Uiso 1 1 calc R U . . .
C13 C 0.2174(2) 0.74176(8) 0.24057(19) 0.0133(5) Uani 1 1 d . . . . .
C14 C 0.3140(2) 0.76666(8) 0.21338(18) 0.0117(5) Uani 1 1 d . . . . .
C15 C 0.31953(19) 0.78124(8) 0.10263(18) 0.0117(5) Uani 1 1 d . . . . .
C16 C 0.38244(19) 0.75409(8) 0.04101(18) 0.0131(5) Uani 1 1 d . . . . .
H16 H 0.4185 0.7270 0.0686 0.016 Uiso 1 1 calc R U . . .
C17 C 0.3924(2) 0.76651(8) -0.06003(19) 0.0147(5) Uani 1 1 d . . . . .
H17 H 0.4327 0.7474 -0.1026 0.018 Uiso 1 1 calc R U . . .
C18 C 0.3432(2) 0.80716(8) -0.09872(19) 0.0133(5) Uani 1 1 d . . . . .
H18 H 0.3514 0.8160 -0.1676 0.016 Uiso 1 1 calc R U . . .
C19 C 0.28186(19) 0.83513(8) -0.03743(18) 0.0119(5) Uani 1 1 d . . . . .
C20 C 0.2466(2) 0.88161(8) -0.07973(18) 0.0136(5) Uani 1 1 d . . . . .
C21 C 0.3268(2) 0.91761(8) -0.06583(19) 0.0162(5) Uani 1 1 d . . . . .
C22 C 0.3012(2) 0.95992(8) -0.1126(2) 0.0182(5) Uani 1 1 d . . . . .
H22 H 0.3551 0.9841 -0.1024 0.022 Uiso 1 1 calc R U . . .
C23 C 0.1998(2) 0.96808(8) -0.1735(2) 0.0187(5) Uani 1 1 d . . . . .
C24 C 0.1760(2) 1.01375(9) -0.2291(2) 0.0250(6) Uani 1 1 d . . . . .
H24 H 0.1010 1.0110 -0.2716 0.030 Uiso 1 1 calc R U . . .
C25 C 0.2652(3) 1.02379(10) -0.3025(2) 0.0325(7) Uani 1 1 d . . . . .
H25A H 0.2642 0.9993 -0.3541 0.049 Uiso 1 1 calc R U . . .
H25B H 0.3404 1.0253 -0.2635 0.049 Uiso 1 1 calc R U . . .
H25C H 0.2481 1.0532 -0.3372 0.049 Uiso 1 1 calc R U . . .
C26 C 0.1672(3) 1.05321(9) -0.1534(2) 0.0318(7) Uani 1 1 d . . . . .
H26A H 0.1469 1.0815 -0.1917 0.048 Uiso 1 1 calc R U . . .
H26B H 0.2403 1.0573 -0.1118 0.048 Uiso 1 1 calc R U . . .
H26C H 0.1087 1.0461 -0.1082 0.048 Uiso 1 1 calc R U . . .
C27 C 0.1209(2) 0.93275(8) -0.1840(2) 0.0172(5) Uani 1 1 d . . . . .
H27 H 0.0503 0.9380 -0.2239 0.021 Uiso 1 1 calc R U . . .
C28 C 0.1415(2) 0.88964(8) -0.13795(18) 0.0142(5) Uani 1 1 d . . . . .
C29 C 0.0529(2) 0.85213(8) -0.15759(19) 0.0150(5) Uani 1 1 d . . . . .
H29 H 0.0732 0.8266 -0.1078 0.018 Uiso 1 1 calc R U . . .
C30 C 0.0547(2) 0.83318(9) -0.2670(2) 0.0241(6) Uani 1 1 d . . . . .
H30A H 0.0338 0.8576 -0.3171 0.036 Uiso 1 1 calc R U . . .
H30B H 0.0004 0.8078 -0.2779 0.036 Uiso 1 1 calc R U . . .
H30C H 0.1310 0.8220 -0.2758 0.036 Uiso 1 1 calc R U . . .
C31 C -0.0657(2) 0.86885(9) -0.1418(2) 0.0267(6) Uani 1 1 d . . . . .
H31A H -0.0894 0.8925 -0.1930 0.040 Uiso 1 1 calc R U . . .
H31B H -0.0652 0.8818 -0.0724 0.040 Uiso 1 1 calc R U . . .
H31C H -0.1189 0.8430 -0.1497 0.040 Uiso 1 1 calc R U . . .
C32 C 0.4413(2) 0.91115(8) -0.0021(2) 0.0192(5) Uani 1 1 d . . . . .
H32 H 0.4422 0.8796 0.0281 0.023 Uiso 1 1 calc R U . . .
C33 C 0.5389(2) 0.91390(9) -0.0703(2) 0.0247(6) Uani 1 1 d . . . . .
H33A H 0.5299 0.8896 -0.1226 0.037 Uiso 1 1 calc R U . . .
H33B H 0.6114 0.9099 -0.0276 0.037 Uiso 1 1 calc R U . . .
H33C H 0.5376 0.9439 -0.1043 0.037 Uiso 1 1 calc R U . . .
C34 C 0.4567(2) 0.94515(9) 0.0871(2) 0.0221(6) Uani 1 1 d . . . . .
H34A H 0.4559 0.9766 0.0600 0.033 Uiso 1 1 calc R U . . .
H34B H 0.5294 0.9393 0.1282 0.033 Uiso 1 1 calc R U . . .
H34C H 0.3948 0.9414 0.1305 0.033 Uiso 1 1 calc R U . . .
C35 C 0.26525(19) 0.82167(8) 0.06394(18) 0.0115(5) Uani 1 1 d . . . . .
C36 C 0.4066(2) 0.77447(8) 0.29015(19) 0.0129(5) Uani 1 1 d . . . . .
C37 C 0.5148(2) 0.79784(8) 0.26308(19) 0.0147(5) Uani 1 1 d . . . . .
H37 H 0.5274 0.7879 0.1919 0.018 Uiso 1 1 calc R U . . .
C38 C 0.5024(2) 0.85001(9) 0.2612(2) 0.0251(6) Uani 1 1 d . . . . .
H38A H 0.5706 0.8639 0.2381 0.038 Uiso 1 1 calc R U . . .
H38B H 0.4924 0.8611 0.3306 0.038 Uiso 1 1 calc R U . . .
H38C H 0.4360 0.8586 0.2137 0.038 Uiso 1 1 calc R U . . .
C39 C 0.6204(2) 0.78447(9) 0.3343(2) 0.0200(5) Uani 1 1 d . . . . .
H39A H 0.6254 0.7509 0.3392 0.030 Uiso 1 1 calc R U . . .
H39B H 0.6154 0.7974 0.4030 0.030 Uiso 1 1 calc R U . . .
H39C H 0.6881 0.7965 0.3065 0.030 Uiso 1 1 calc R U . . .
C40 C 0.3966(2) 0.75989(8) 0.39139(19) 0.0143(5) Uani 1 1 d . . . . .
H40 H 0.4585 0.7650 0.4426 0.017 Uiso 1 1 calc R U . . .
C41 C 0.2994(2) 0.73815(8) 0.42034(18) 0.0136(5) Uani 1 1 d . . . . .
C42 C 0.2116(2) 0.72935(8) 0.34391(19) 0.0142(5) Uani 1 1 d . . . . .
H42 H 0.1452 0.7144 0.3620 0.017 Uiso 1 1 calc R U . . .
C43 C 0.2919(2) 0.72484(8) 0.53222(19) 0.0170(5) Uani 1 1 d . . . . .
H43 H 0.3710 0.7221 0.5670 0.020 Uiso 1 1 calc R U . . .
C44 C 0.2318(2) 0.67917(9) 0.5451(2) 0.0242(6) Uani 1 1 d . . . . .
H44A H 0.1516 0.6821 0.5186 0.036 Uiso 1 1 calc R U . . .
H44B H 0.2378 0.6710 0.6183 0.036 Uiso 1 1 calc R U . . .
H44C H 0.2673 0.6552 0.5068 0.036 Uiso 1 1 calc R U . . .
C45 C 0.2318(2) 0.76316(9) 0.5861(2) 0.0222(6) Uani 1 1 d . . . . .
H45A H 0.2698 0.7925 0.5767 0.033 Uiso 1 1 calc R U . . .
H45B H 0.2346 0.7563 0.6598 0.033 Uiso 1 1 calc R U . . .
H45C H 0.1525 0.7651 0.5562 0.033 Uiso 1 1 calc R U . . .
C46 C 0.1315(2) 0.72222(8) 0.15753(19) 0.0150(5) Uani 1 1 d . . . . .
H46 H 0.1269 0.7430 0.0963 0.018 Uiso 1 1 calc R U . . .
C47 C 0.1758(2) 0.67527(9) 0.1263(2) 0.0222(6) Uani 1 1 d . . . . .
H47A H 0.1230 0.6621 0.0711 0.033 Uiso 1 1 calc R U . . .
H47B H 0.1819 0.6546 0.1860 0.033 Uiso 1 1 calc R U . . .
H47C H 0.2506 0.6791 0.1019 0.033 Uiso 1 1 calc R U . . .
C48 C 0.0128(2) 0.71667(10) 0.1907(2) 0.0221(6) Uani 1 1 d . . . . .
H48A H -0.0144 0.7465 0.2129 0.033 Uiso 1 1 calc R U . . .
H48B H 0.0152 0.6948 0.2479 0.033 Uiso 1 1 calc R U . . .
H48C H -0.0386 0.7052 0.1325 0.033 Uiso 1 1 calc R U . . .
C49 C 0.3110(2) 0.90479(8) 0.4783(2) 0.0177(5) Uani 1 1 d . . . . .
C50 C 0.3014(2) 0.89361(9) 0.5808(2) 0.0212(6) Uani 1 1 d . . . . .
H50 H 0.2357 0.8781 0.5983 0.025 Uiso 1 1 calc R U . . .
C51 C 0.3866(2) 0.90491(9) 0.6574(2) 0.0258(6) Uani 1 1 d . . . . .
H51 H 0.3784 0.8975 0.7271 0.031 Uiso 1 1 calc R U . . .
C52 C 0.4837(2) 0.92699(10) 0.6330(2) 0.0284(7) Uani 1 1 d . . . . .
H52 H 0.5421 0.9347 0.6859 0.034 Uiso 1 1 calc R U . . .
C53 C 0.4955(2) 0.93784(9) 0.5317(2) 0.0260(6) Uani 1 1 d . . . . .
H53 H 0.5623 0.9528 0.5148 0.031 Uiso 1 1 calc R U . . .
C54 C 0.4095(2) 0.92684(9) 0.4542(2) 0.0205(6) Uani 1 1 d . . . . .
H54 H 0.4180 0.9344 0.3846 0.025 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 C1 2.221(2) . ?
Sn1 C35 2.255(2) . ?
Sn1 Pd1 2.6279(3) . ?
Pd1 P1 2.2226(6) . ?
Pd1 C14 2.342(2) . ?
Pd1 C13 2.418(2) . ?
Pd1 C36 2.577(2) . ?
Pd1 C42 2.607(2) . ?
P1 C2 1.831(3) . ?
P1 C49 1.832(3) . ?
P1 C7 1.833(3) . ?
C1 C2 1.405(4) . ?
C1 C6 1.406(4) . ?
C2 C3 1.403(3) . ?
C3 C4 1.379(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.393(4) . ?
C7 C8 1.396(3) . ?
C8 C9 1.386(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C42 1.405(3) . ?
C13 C14 1.431(3) . ?
C13 C46 1.517(3) . ?
C14 C36 1.424(3) . ?
C14 C15 1.515(3) . ?
C15 C16 1.398(3) . ?
C15 C35 1.408(3) . ?
C16 C17 1.385(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.399(3) . ?
C18 H18 0.9500 . ?
C19 C35 1.414(3) . ?
C19 C20 1.503(3) . ?
C20 C28 1.407(3) . ?
C20 C21 1.414(3) . ?
C21 C22 1.393(3) . ?
C21 C32 1.526(3) . ?
C22 C23 1.389(4) . ?
C22 H22 0.9500 . ?
C23 C27 1.387(3) . ?
C23 C24 1.526(3) . ?
C24 C26 1.526(4) . ?
C24 C25 1.529(4) . ?
C24 H24 1.0000 . ?
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 1.402(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.517(3) . ?
C29 C31 1.523(4) . ?
C29 C30 1.533(4) . ?
C29 H29 1.0000 . ?
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 C34 1.525(4) . ?
C32 C33 1.535(4) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C36 C40 1.405(3) . ?
C36 C37 1.526(3) . ?
C37 C38 1.525(3) . ?
C37 C39 1.527(3) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.401(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.387(3) . ?
C41 C43 1.523(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.526(3) . ?
C43 C45 1.534(3) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C48 1.523(3) . ?
C46 C47 1.534(3) . ?
C46 H46 1.0000 . ?
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 C50 1.393(4) . ?
C49 C54 1.398(4) . ?
C50 C51 1.383(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.385(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.395(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 C35 105.57(9) . . ?
C1 Sn1 Pd1 94.32(7) . . ?
C35 Sn1 Pd1 87.17(6) . . ?
P1 Pd1 C14 150.52(6) . . ?
P1 Pd1 C13 171.76(6) . . ?
C14 Pd1 C13 34.93(8) . . ?
P1 Pd1 C36 129.21(6) . . ?
C14 Pd1 C36 33.21(8) . . ?
C13 Pd1 C36 58.86(8) . . ?
P1 Pd1 C42 148.00(6) . . ?
C14 Pd1 C42 59.02(8) . . ?
C13 Pd1 C42 32.20(8) . . ?
C36 Pd1 C42 65.71(7) . . ?
P1 Pd1 Sn1 85.244(18) . . ?
C14 Pd1 Sn1 86.53(6) . . ?
C13 Pd1 Sn1 89.65(6) . . ?
C36 Pd1 Sn1 112.73(5) . . ?
C42 Pd1 Sn1 117.04(5) . . ?
C2 P1 C49 104.55(12) . . ?
C2 P1 C7 103.24(11) . . ?
C49 P1 C7 103.09(12) . . ?
C2 P1 Pd1 115.80(8) . . ?
C49 P1 Pd1 113.61(8) . . ?
C7 P1 Pd1 115.05(8) . . ?
C2 C1 C6 117.1(2) . . ?
C2 C1 Sn1 118.35(17) . . ?
C6 C1 Sn1 124.06(19) . . ?
C3 C2 C1 121.0(2) . . ?
C3 C2 P1 122.2(2) . . ?
C1 C2 P1 116.70(18) . . ?
C4 C3 C2 120.1(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.8(2) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.3(2) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C1 121.6(3) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C12 C7 C8 118.6(2) . . ?
C12 C7 P1 118.72(19) . . ?
C8 C7 P1 122.65(19) . . ?
C9 C8 C7 120.5(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 120.1(2) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.8(2) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 120.7(2) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C42 C13 C14 119.4(2) . . ?
C42 C13 C46 119.4(2) . . ?
C14 C13 C46 120.4(2) . . ?
C42 C13 Pd1 81.32(14) . . ?
C14 C13 Pd1 69.64(13) . . ?
C46 C13 Pd1 128.06(16) . . ?
C36 C14 C13 118.9(2) . . ?
C36 C14 C15 121.2(2) . . ?
C13 C14 C15 119.7(2) . . ?
C36 C14 Pd1 82.48(14) . . ?
C13 C14 Pd1 75.43(13) . . ?
C15 C14 Pd1 115.75(15) . . ?
C16 C15 C35 121.1(2) . . ?
C16 C15 C14 118.1(2) . . ?
C35 C15 C14 120.8(2) . . ?
C17 C16 C15 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.5(2) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C17 C18 C19 120.8(2) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C35 120.4(2) . . ?
C18 C19 C20 117.1(2) . . ?
C35 C19 C20 122.1(2) . . ?
C28 C20 C21 119.4(2) . . ?
C28 C20 C19 122.9(2) . . ?
C21 C20 C19 117.5(2) . . ?
C22 C21 C20 119.1(2) . . ?
C22 C21 C32 119.2(2) . . ?
C20 C21 C32 121.7(2) . . ?
C23 C22 C21 122.5(2) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C27 C23 C22 117.6(2) . . ?
C27 C23 C24 120.7(2) . . ?
C22 C23 C24 121.7(2) . . ?
C26 C24 C23 111.7(2) . . ?
C26 C24 C25 111.2(2) . . ?
C23 C24 C25 111.1(2) . . ?
C26 C24 H24 107.5 . . ?
C23 C24 H24 107.5 . . ?
C25 C24 H24 107.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C28 122.4(2) . . ?
C23 C27 H27 118.8 . . ?
C28 C27 H27 118.8 . . ?
C27 C28 C20 118.9(2) . . ?
C27 C28 C29 119.1(2) . . ?
C20 C28 C29 121.9(2) . . ?
C28 C29 C31 112.3(2) . . ?
C28 C29 C30 109.8(2) . . ?
C31 C29 C30 110.2(2) . . ?
C28 C29 H29 108.1 . . ?
C31 C29 H29 108.1 . . ?
C30 C29 H29 108.1 . . ?
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 . . ?
C34 C32 C21 111.3(2) . . ?
C34 C32 C33 111.9(2) . . ?
C21 C32 C33 111.0(2) . . ?
C34 C32 H32 107.4 . . ?
C21 C32 H32 107.4 . . ?
C33 C32 H32 107.4 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C15 C35 C19 117.6(2) . . ?
C15 C35 Sn1 119.34(17) . . ?
C19 C35 Sn1 120.63(16) . . ?
C40 C36 C14 118.5(2) . . ?
C40 C36 C37 120.7(2) . . ?
C14 C36 C37 120.8(2) . . ?
C40 C36 Pd1 82.50(14) . . ?
C14 C36 Pd1 64.31(12) . . ?
C37 C36 Pd1 123.85(15) . . ?
C38 C37 C36 111.4(2) . . ?
C38 C37 C39 109.6(2) . . ?
C36 C37 C39 113.6(2) . . ?
C38 C37 H37 107.3 . . ?
C36 C37 H37 107.3 . . ?
C39 C37 H37 107.3 . . ?
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 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C36 123.0(2) . . ?
C41 C40 H40 118.5 . . ?
C36 C40 H40 118.5 . . ?
C42 C41 C40 117.7(2) . . ?
C42 C41 C43 121.8(2) . . ?
C40 C41 C43 120.5(2) . . ?
C41 C42 C13 122.2(2) . . ?
C41 C42 Pd1 82.91(14) . . ?
C13 C42 Pd1 66.48(13) . . ?
C41 C42 H42 118.9 . . ?
C13 C42 H42 118.9 . . ?
Pd1 C42 H42 122.7 . . ?
C41 C43 C44 113.8(2) . . ?
C41 C43 C45 109.4(2) . . ?
C44 C43 C45 109.7(2) . . ?
C41 C43 H43 107.9 . . ?
C44 C43 H43 107.9 . . ?
C45 C43 H43 107.9 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C13 C46 C48 114.0(2) . . ?
C13 C46 C47 107.5(2) . . ?
C48 C46 C47 109.5(2) . . ?
C13 C46 H46 108.6 . . ?
C48 C46 H46 108.6 . . ?
C47 C46 H46 108.6 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 118.6(2) . . ?
C50 C49 P1 120.4(2) . . ?
C54 C49 P1 120.8(2) . . ?
C51 C50 C49 120.7(3) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 120.3(3) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C53 C52 C51 119.8(3) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C52 C53 C54 120.1(3) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C49 120.4(3) . . ?
C53 C54 H54 119.8 . . ?
C49 C54 H54 119.8 . . ?

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
C6 C1 C2 C3 -2.3(4) . . . . ?
Sn1 C1 C2 C3 -174.40(18) . . . . ?
C6 C1 C2 P1 174.14(18) . . . . ?
Sn1 C1 C2 P1 2.1(3) . . . . ?
C49 P1 C2 C3 -34.7(2) . . . . ?
C7 P1 C2 C3 72.8(2) . . . . ?
Pd1 P1 C2 C3 -160.56(18) . . . . ?
C49 P1 C2 C1 148.84(19) . . . . ?
C7 P1 C2 C1 -103.6(2) . . . . ?
Pd1 P1 C2 C1 23.0(2) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
P1 C2 C3 C4 -176.1(2) . . . . ?
C2 C3 C4 C5 1.7(4) . . . . ?
C3 C4 C5 C6 -1.4(4) . . . . ?
C4 C5 C6 C1 -0.9(4) . . . . ?
C2 C1 C6 C5 2.7(4) . . . . ?
Sn1 C1 C6 C5 174.3(2) . . . . ?
C2 P1 C7 C12 109.5(2) . . . . ?
C49 P1 C7 C12 -141.8(2) . . . . ?
Pd1 P1 C7 C12 -17.6(2) . . . . ?
C2 P1 C7 C8 -68.9(2) . . . . ?
C49 P1 C7 C8 39.8(2) . . . . ?
Pd1 P1 C7 C8 164.02(18) . . . . ?
C12 C7 C8 C9 0.1(4) . . . . ?
P1 C7 C8 C9 178.52(19) . . . . ?
C7 C8 C9 C10 -0.4(4) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C10 C11 C12 C7 -0.8(4) . . . . ?
C8 C7 C12 C11 0.4(4) . . . . ?
P1 C7 C12 C11 -178.0(2) . . . . ?
C42 C13 C14 C36 5.9(3) . . . . ?
C46 C13 C14 C36 -164.4(2) . . . . ?
Pd1 C13 C14 C36 72.65(19) . . . . ?
C42 C13 C14 C15 -178.4(2) . . . . ?
C46 C13 C14 C15 11.4(3) . . . . ?
Pd1 C13 C14 C15 -111.6(2) . . . . ?
C42 C13 C14 Pd1 -66.8(2) . . . . ?
C46 C13 C14 Pd1 123.0(2) . . . . ?
C36 C14 C15 C16 77.2(3) . . . . ?
C13 C14 C15 C16 -98.5(3) . . . . ?
Pd1 C14 C15 C16 174.19(16) . . . . ?
C36 C14 C15 C35 -101.2(3) . . . . ?
C13 C14 C15 C35 83.2(3) . . . . ?
Pd1 C14 C15 C35 -4.2(3) . . . . ?
C35 C15 C16 C17 -0.1(3) . . . . ?
C14 C15 C16 C17 -178.5(2) . . . . ?
C15 C16 C17 C18 2.5(3) . . . . ?
C16 C17 C18 C19 -1.3(3) . . . . ?
C17 C18 C19 C35 -2.3(3) . . . . ?
C17 C18 C19 C20 171.1(2) . . . . ?
C18 C19 C20 C28 91.9(3) . . . . ?
C35 C19 C20 C28 -94.8(3) . . . . ?
C18 C19 C20 C21 -83.5(3) . . . . ?
C35 C19 C20 C21 89.9(3) . . . . ?
C28 C20 C21 C22 -1.8(4) . . . . ?
C19 C20 C21 C22 173.8(2) . . . . ?
C28 C20 C21 C32 179.0(2) . . . . ?
C19 C20 C21 C32 -5.4(3) . . . . ?
C20 C21 C22 C23 -0.6(4) . . . . ?
C32 C21 C22 C23 178.6(2) . . . . ?
C21 C22 C23 C27 2.3(4) . . . . ?
C21 C22 C23 C24 -176.5(3) . . . . ?
C27 C23 C24 C26 115.3(3) . . . . ?
C22 C23 C24 C26 -66.0(3) . . . . ?
C27 C23 C24 C25 -119.9(3) . . . . ?
C22 C23 C24 C25 58.8(3) . . . . ?
C22 C23 C27 C28 -1.6(4) . . . . ?
C24 C23 C27 C28 177.1(2) . . . . ?
C23 C27 C28 C20 -0.7(4) . . . . ?
C23 C27 C28 C29 -177.0(2) . . . . ?
C21 C20 C28 C27 2.4(4) . . . . ?
C19 C20 C28 C27 -172.9(2) . . . . ?
C21 C20 C28 C29 178.6(2) . . . . ?
C19 C20 C28 C29 3.3(4) . . . . ?
C27 C28 C29 C31 -48.7(3) . . . . ?
C20 C28 C29 C31 135.1(2) . . . . ?
C27 C28 C29 C30 74.3(3) . . . . ?
C20 C28 C29 C30 -101.9(3) . . . . ?
C22 C21 C32 C34 59.5(3) . . . . ?
C20 C21 C32 C34 -121.3(3) . . . . ?
C22 C21 C32 C33 -65.9(3) . . . . ?
C20 C21 C32 C33 113.3(3) . . . . ?
C16 C15 C35 C19 -3.4(3) . . . . ?
C14 C15 C35 C19 174.9(2) . . . . ?
C16 C15 C35 Sn1 158.98(17) . . . . ?
C14 C15 C35 Sn1 -22.7(3) . . . . ?
C18 C19 C35 C15 4.6(3) . . . . ?
C20 C19 C35 C15 -168.5(2) . . . . ?
C18 C19 C35 Sn1 -157.55(17) . . . . ?
C20 C19 C35 Sn1 29.3(3) . . . . ?
C13 C14 C36 C40 -4.0(3) . . . . ?
C15 C14 C36 C40 -179.6(2) . . . . ?
Pd1 C14 C36 C40 64.8(2) . . . . ?
C13 C14 C36 C37 175.6(2) . . . . ?
C15 C14 C36 C37 0.0(3) . . . . ?
Pd1 C14 C36 C37 -115.6(2) . . . . ?
C13 C14 C36 Pd1 -68.72(19) . . . . ?
C15 C14 C36 Pd1 115.6(2) . . . . ?
C40 C36 C37 C38 -98.0(3) . . . . ?
C14 C36 C37 C38 82.4(3) . . . . ?
Pd1 C36 C37 C38 4.4(3) . . . . ?
C40 C36 C37 C39 26.3(3) . . . . ?
C14 C36 C37 C39 -153.3(2) . . . . ?
Pd1 C36 C37 C39 128.68(19) . . . . ?
C14 C36 C40 C41 -0.2(3) . . . . ?
C37 C36 C40 C41 -179.8(2) . . . . ?
Pd1 C36 C40 C41 55.1(2) . . . . ?
C36 C40 C41 C42 2.4(3) . . . . ?
C36 C40 C41 C43 -177.6(2) . . . . ?
C40 C41 C42 C13 -0.4(3) . . . . ?
C43 C41 C42 C13 179.6(2) . . . . ?
C40 C41 C42 Pd1 -56.8(2) . . . . ?
C43 C41 C42 Pd1 123.2(2) . . . . ?
C14 C13 C42 C41 -3.7(3) . . . . ?
C46 C13 C42 C41 166.6(2) . . . . ?
Pd1 C13 C42 C41 -64.4(2) . . . . ?
C14 C13 C42 Pd1 60.65(19) . . . . ?
C46 C13 C42 Pd1 -129.0(2) . . . . ?
C42 C41 C43 C44 37.4(3) . . . . ?
C40 C41 C43 C44 -142.5(2) . . . . ?
C42 C41 C43 C45 -85.6(3) . . . . ?
C40 C41 C43 C45 94.4(3) . . . . ?
C42 C13 C46 C48 36.3(3) . . . . ?
C14 C13 C46 C48 -153.5(2) . . . . ?
Pd1 C13 C46 C48 -66.5(3) . . . . ?
C42 C13 C46 C47 -85.3(3) . . . . ?
C14 C13 C46 C47 84.9(3) . . . . ?
Pd1 C13 C46 C47 171.93(17) . . . . ?
C2 P1 C49 C50 146.2(2) . . . . ?
C7 P1 C49 C50 38.5(2) . . . . ?
Pd1 P1 C49 C50 -86.6(2) . . . . ?
C2 P1 C49 C54 -37.1(2) . . . . ?
C7 P1 C49 C54 -144.7(2) . . . . ?
Pd1 P1 C49 C54 90.1(2) . . . . ?
C54 C49 C50 C51 1.3(4) . . . . ?
P1 C49 C50 C51 178.1(2) . . . . ?
C49 C50 C51 C52 -1.0(4) . . . . ?
C50 C51 C52 C53 0.1(4) . . . . ?
C51 C52 C53 C54 0.4(4) . . . . ?
C52 C53 C54 C49 0.0(4) . . . . ?
C50 C49 C54 C53 -0.8(4) . . . . ?
P1 C49 C54 C53 -177.57(19) . . . . ?

_refine_diff_density_max         0.733
_refine_diff_density_min         -0.902
_refine_diff_density_rms         0.087

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_kk110_0m
_database_code_depnum_ccdc_archive 'CCDC 1575454'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58.63 H74.13 Cl P Rh Sn'
_chemical_formula_weight         1066.82

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'
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'
Rh Rh -1.1178 0.9187 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '

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

_cell_length_a                   13.1474(2)
_cell_length_b                   16.9062(3)
_cell_length_c                   24.3248(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.3070(10)
_cell_angle_gamma                90.00
_cell_volume                     5261.57(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9033
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      28.29

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.230
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2212
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7567
_exptl_absorpt_correction_T_max  0.9048
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49922
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         28.30
_reflns_number_total             12968
_reflns_number_gt                11523
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0252P)²+7.1226P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12968
_refine_ls_number_parameters     601
_refine_ls_number_restraints     82
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0664
_refine_ls_wR_factor_gt          0.0632
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.043
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.082958(10) 0.695898(8) 0.365260(6) 0.01547(4) Uani 1 1 d . . .
Rh1 Rh 0.221403(11) 0.768970(9) 0.333166(7) 0.01437(4) Uani 1 1 d . . .
Cl1 Cl 0.01327(4) 0.57320(3) 0.32284(3) 0.02951(12) Uani 1 1 d . . .
P1 P 0.32110(4) 0.71404(3) 0.40875(2) 0.01426(10) Uani 1 1 d . . .
C1 C 0.14906(15) 0.66631(12) 0.45161(9) 0.0187(4) Uani 1 1 d . . .
C2 C 0.25640(15) 0.68221(12) 0.46586(9) 0.0168(4) Uani 1 1 d . . .
C3 C 0.31302(16) 0.66731(13) 0.52106(9) 0.0210(4) Uani 1 1 d . . .
H3 H 0.3857 0.6785 0.5315 0.025 Uiso 1 1 calc R . .
C4 C 0.26292(17) 0.63622(14) 0.56055(10) 0.0247(4) Uani 1 1 d . . .
H4 H 0.3014 0.6272 0.5982 0.030 Uiso 1 1 calc R . .
C5 C 0.15704(17) 0.61810(14) 0.54569(10) 0.0255(5) Uani 1 1 d . . .
H5 H 0.1239 0.5954 0.5727 0.031 Uiso 1 1 calc R . .
C6 C 0.09998(16) 0.63317(13) 0.49148(10) 0.0230(4) Uani 1 1 d . . .
H6 H 0.0275 0.6210 0.4813 0.028 Uiso 1 1 calc R . .
C7 C 0.12721(15) 0.77687(12) 0.24200(8) 0.0162(4) Uani 1 1 d . . .
C8 C 0.23312(16) 0.78521(12) 0.23902(9) 0.0200(4) Uani 1 1 d . . .
H8 H 0.2658 0.7420 0.2209 0.024 Uiso 1 1 calc R . .
C9 C 0.29892(15) 0.84250(13) 0.27137(9) 0.0205(4) Uani 1 1 d . . .
C10 C 0.25541(15) 0.89589(12) 0.30468(9) 0.0184(4) Uani 1 1 d . . .
H10 H 0.3040 0.9304 0.3322 0.022 Uiso 1 1 calc R . .
C11 C 0.14927(14) 0.89147(12) 0.30827(8) 0.0164(4) Uani 1 1 d . . .
C12 C 0.08540(14) 0.82997(11) 0.27751(8) 0.0142(4) Uani 1 1 d . . .
C13 C -0.02464(14) 0.82124(11) 0.28552(8) 0.0145(4) Uani 1 1 d . . .
C14 C -0.10487(15) 0.86739(12) 0.25330(8) 0.0169(4) Uani 1 1 d . . .
H14 H -0.0922 0.8987 0.2232 0.020 Uiso 1 1 calc R . .
C15 C -0.20340(15) 0.86747(12) 0.26537(9) 0.0185(4) Uani 1 1 d . . .
H15 H -0.2585 0.8972 0.2425 0.022 Uiso 1 1 calc R . .
C16 C -0.22137(15) 0.82422(12) 0.31075(9) 0.0173(4) Uani 1 1 d . . .
H16 H -0.2878 0.8268 0.3198 0.021 Uiso 1 1 calc R . .
C17 C -0.14268(14) 0.77695(11) 0.34321(8) 0.0144(4) Uani 1 1 d . . .
C18 C -0.04524(14) 0.77328(11) 0.32894(8) 0.0143(4) Uani 1 1 d . . .
C19 C -0.15872(15) 0.73621(11) 0.39535(8) 0.0156(4) Uani 1 1 d . A .
C20 C -0.21983(16) 0.66757(12) 0.39158(9) 0.0200(4) Uani 1 1 d . . .
C21 C -0.23474(18) 0.63320(13) 0.44162(10) 0.0265(5) Uani 1 1 d . A .
H21 H -0.2764 0.5868 0.4394 0.032 Uiso 1 1 calc R . .
C22 C -0.19058(19) 0.66485(14) 0.49429(10) 0.0282(5) Uani 1 1 d . . .
C23 C -0.12950(18) 0.73214(14) 0.49695(9) 0.0260(5) Uani 1 1 d . A .
H23 H -0.0990 0.7542 0.5329 0.031 Uiso 1 1 calc R . .
C24 C -0.11137(16) 0.76851(12) 0.44875(9) 0.0201(4) Uani 1 1 d . . .
C25 C -0.04446(18) 0.84313(14) 0.45447(10) 0.0261(5) Uani 1 1 d . A .
H25 H -0.0073 0.8425 0.4229 0.031 Uiso 1 1 calc R . .
C26 C -0.1136(2) 0.91685(14) 0.44656(12) 0.0369(6) Uani 1 1 d . . .
H26A H -0.1510 0.9198 0.4770 0.055 Uiso 1 1 calc R A .
H26B H -0.1641 0.9140 0.4101 0.055 Uiso 1 1 calc R . .
H26C H -0.0700 0.9641 0.4475 0.055 Uiso 1 1 calc R . .
C27 C 0.0396(2) 0.84926(17) 0.50983(12) 0.0414(6) Uani 1 1 d . . .
H27A H 0.0060 0.8580 0.5414 0.062 Uiso 1 1 calc R A .
H27B H 0.0863 0.8936 0.5074 0.062 Uiso 1 1 calc R . .
H27C H 0.0801 0.8001 0.5160 0.062 Uiso 1 1 calc R . .
C32 C -0.27071(17) 0.63094(13) 0.33473(10) 0.0242(5) Uani 1 1 d . . .
H32 H -0.2353 0.6533 0.3060 0.029 Uiso 1 1 calc R . .
C33 C -0.2585(2) 0.54096(14) 0.33422(13) 0.0358(6) Uani 1 1 d . . .
H33A H -0.1844 0.5271 0.3470 0.054 Uiso 1 1 calc R . .
H33B H -0.2851 0.5211 0.2958 0.054 Uiso 1 1 calc R . .
H33C H -0.2980 0.5170 0.3595 0.054 Uiso 1 1 calc R . .
C34 C -0.38666(18) 0.65255(15) 0.31677(10) 0.0287(5) Uani 1 1 d . . .
H34A H -0.4241 0.6288 0.3431 0.043 Uiso 1 1 calc R . .
H34B H -0.4157 0.6325 0.2786 0.043 Uiso 1 1 calc R . .
H34C H -0.3944 0.7102 0.3171 0.043 Uiso 1 1 calc R . .
C35 C 0.10633(16) 0.95279(12) 0.34297(9) 0.0204(4) Uani 1 1 d . . .
H35 H 0.0382 0.9324 0.3488 0.024 Uiso 1 1 calc R . .
C36 C 0.1776(2) 0.96694(17) 0.40100(11) 0.0362(6) Uani 1 1 d . . .
H36A H 0.1435 1.0034 0.4225 0.054 Uiso 1 1 calc R . .
H36B H 0.2436 0.9900 0.3966 0.054 Uiso 1 1 calc R . .
H36C H 0.1914 0.9166 0.4213 0.054 Uiso 1 1 calc R . .
C37 C 0.0843(2) 1.03040(14) 0.30986(12) 0.0341(6) Uani 1 1 d . . .
H37A H 0.0542 1.0689 0.3318 0.051 Uiso 1 1 calc R . .
H37B H 0.0349 1.0206 0.2737 0.051 Uiso 1 1 calc R . .
H37C H 0.1497 1.0514 0.3029 0.051 Uiso 1 1 calc R . .
C38 C 0.41298(16) 0.84775(14) 0.26788(11) 0.0287(5) Uani 1 1 d . . .
H38 H 0.4440 0.7937 0.2755 0.034 Uiso 1 1 calc R . .
C39 C 0.4199(2) 0.8707(2) 0.20961(14) 0.0519(8) Uani 1 1 d . . .
H39A H 0.3868 0.9225 0.2002 0.078 Uiso 1 1 calc R . .
H39B H 0.3839 0.8312 0.1826 0.078 Uiso 1 1 calc R . .
H39C H 0.4935 0.8737 0.2078 0.078 Uiso 1 1 calc R . .
C40 C 0.47833(18) 0.90398(16) 0.31082(13) 0.0386(6) Uani 1 1 d . . .
H40A H 0.4708 0.8901 0.3488 0.058 Uiso 1 1 calc R . .
H40B H 0.4543 0.9584 0.3020 0.058 Uiso 1 1 calc R . .
H40C H 0.5520 0.8997 0.3093 0.058 Uiso 1 1 calc R . .
C41 C 0.05703(15) 0.71552(12) 0.20595(9) 0.0183(4) Uani 1 1 d . . .
H41 H 0.0027 0.6996 0.2266 0.022 Uiso 1 1 calc R . .
C42 C 0.00069(17) 0.75293(13) 0.14992(9) 0.0234(4) Uani 1 1 d . . .
H42A H -0.0430 0.7968 0.1573 0.035 Uiso 1 1 calc R . .
H42B H -0.0433 0.7131 0.1265 0.035 Uiso 1 1 calc R . .
H42C H 0.0524 0.7729 0.1300 0.035 Uiso 1 1 calc R . .
C43 C 0.11459(18) 0.64049(13) 0.19503(11) 0.0280(5) Uani 1 1 d . . .
H43A H 0.1528 0.6183 0.2311 0.042 Uiso 1 1 calc R . .
H43B H 0.1639 0.6535 0.1717 0.042 Uiso 1 1 calc R . .
H43C H 0.0639 0.6016 0.1753 0.042 Uiso 1 1 calc R . .
C44 C 0.42999(15) 0.77531(12) 0.44628(9) 0.0167(4) Uani 1 1 d . . .
C45 C 0.41281(17) 0.83479(13) 0.48294(10) 0.0241(4) Uani 1 1 d . . .
H45 H 0.3465 0.8390 0.4920 0.029 Uiso 1 1 calc R . .
C46 C 0.4914(2) 0.88781(14) 0.50624(11) 0.0311(5) Uani 1 1 d . . .
H46 H 0.4786 0.9279 0.5312 0.037 Uiso 1 1 calc R . .
C47 C 0.58890(18) 0.88266(14) 0.49331(10) 0.0292(5) Uani 1 1 d . . .
H47 H 0.6425 0.9192 0.5093 0.035 Uiso 1 1 calc R . .
C48 C 0.60734(17) 0.82407(14) 0.45710(11) 0.0276(5) Uani 1 1 d . . .
H48 H 0.6738 0.8202 0.4482 0.033 Uiso 1 1 calc R . .
C49 C 0.52830(16) 0.77080(13) 0.43373(10) 0.0219(4) Uani 1 1 d . . .
H49 H 0.5415 0.7308 0.4089 0.026 Uiso 1 1 calc R . .
C50 C 0.38461(14) 0.61988(11) 0.39774(8) 0.0151(4) Uani 1 1 d . . .
C51 C 0.46653(15) 0.58636(12) 0.43797(9) 0.0182(4) Uani 1 1 d . . .
H51 H 0.4942 0.6136 0.4723 0.022 Uiso 1 1 calc R . .
C52 C 0.50791(16) 0.51323(12) 0.42803(10) 0.0214(4) Uani 1 1 d . . .
H52 H 0.5645 0.4913 0.4553 0.026 Uiso 1 1 calc R . .
C53 C 0.46673(17) 0.47258(13) 0.37858(10) 0.0243(5) Uani 1 1 d . . .
H53 H 0.4945 0.4225 0.3721 0.029 Uiso 1 1 calc R . .
C54 C 0.38495(17) 0.50482(13) 0.33853(10) 0.0249(5) Uani 1 1 d . . .
H54 H 0.3563 0.4767 0.3047 0.030 Uiso 1 1 calc R . .
C55 C 0.34474(16) 0.57859(13) 0.34797(9) 0.0205(4) Uani 1 1 d . . .
H55 H 0.2895 0.6009 0.3201 0.025 Uiso 1 1 calc R . .
C56 C 0.6755(2) 0.05712(18) 0.39245(14) 0.0472(7) Uani 1 1 d . . .
H56A H 0.7370 0.0414 0.4215 0.071 Uiso 1 1 calc R . .
H56B H 0.6182 0.0201 0.3924 0.071 Uiso 1 1 calc R . .
H56C H 0.6541 0.1106 0.4005 0.071 Uiso 1 1 calc R . .
C57 C 0.7023(2) 0.05615(18) 0.33530(14) 0.0465(7) Uani 1 1 d . . .
H57A H 0.6421 0.0767 0.3066 0.056 Uiso 1 1 calc R . .
H57B H 0.7148 0.0009 0.3251 0.056 Uiso 1 1 calc R . .
C58 C 0.7993(2) 0.10596(18) 0.33412(12) 0.0412(6) Uani 1 1 d . . .
H58A H 0.8579 0.0882 0.3650 0.049 Uiso 1 1 calc R . .
H58B H 0.8195 0.0967 0.2979 0.049 Uiso 1 1 calc R . .
C59 C 0.7821(2) 0.19453(17) 0.34074(14) 0.0462(7) Uani 1 1 d . . .
H59A H 0.7662 0.2046 0.3780 0.055 Uiso 1 1 calc R . .
H59B H 0.7214 0.2122 0.3111 0.055 Uiso 1 1 calc R . .
C60 C 0.8800(3) 0.2424(2) 0.33593(14) 0.0531(8) Uani 1 1 d . . .
H60A H 0.8680 0.2987 0.3416 0.080 Uiso 1 1 calc R . .
H60B H 0.8936 0.2346 0.2983 0.080 Uiso 1 1 calc R . .
H60C H 0.9404 0.2243 0.3648 0.080 Uiso 1 1 calc R . .
C80 C -0.1975(3) 0.6336(3) 0.55274(19) 0.0211(8) Uani 0.671(6) 1 d PU A 1
H80 H -0.1300 0.6440 0.5805 0.025 Uiso 0.671(6) 1 calc PR A 1
C81 C -0.2203(4) 0.5450(2) 0.55072(17) 0.0397(12) Uani 0.671(6) 1 d PU A 1
H81A H -0.2191 0.5258 0.5889 0.059 Uiso 0.671(6) 1 calc PR A 1
H81B H -0.1670 0.5171 0.5359 0.059 Uiso 0.671(6) 1 calc PR A 1
H81C H -0.2893 0.5351 0.5261 0.059 Uiso 0.671(6) 1 calc PR A 1
C82 C -0.285(2) 0.6757(16) 0.5718(11) 0.032(2) Uani 0.671(6) 1 d PU A 1
H82A H -0.2925 0.6538 0.6080 0.047 Uiso 0.671(6) 1 calc PR A 1
H82B H -0.3510 0.6682 0.5435 0.047 Uiso 0.671(6) 1 calc PR A 1
H82C H -0.2696 0.7323 0.5762 0.047 Uiso 0.671(6) 1 calc PR A 1
C83 C -0.1321(7) 0.5756(5) 0.5727(3) 0.039(2) Uani 0.329(6) 1 d PU A 2
H83A H -0.0816 0.6153 0.5915 0.058 Uiso 0.329(6) 1 calc PR A 2
H83B H -0.1011 0.5441 0.5469 0.058 Uiso 0.329(6) 1 calc PR A 2
H83C H -0.1506 0.5408 0.6012 0.058 Uiso 0.329(6) 1 calc PR A 2
C84 C -0.2285(7) 0.6162(6) 0.5399(4) 0.0211(8) Uani 0.329(6) 1 d PU A 2
H84 H -0.2823 0.5765 0.5219 0.025 Uiso 0.329(6) 1 calc PR A 2
C85 C -0.275(4) 0.676(3) 0.577(2) 0.032(2) Uani 0.329(6) 1 d P A 2
H85A H -0.2929 0.6476 0.6087 0.047 Uiso 0.329(6) 1 calc PR A 2
H85B H -0.3380 0.7005 0.5540 0.047 Uiso 0.329(6) 1 calc PR A 2
H85C H -0.2231 0.7169 0.5917 0.047 Uiso 0.329(6) 1 calc PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C1 2.139(2) . ?
Sn1 C18 2.1559(18) . ?
Sn1 Cl1 2.4024(6) . ?
Sn1 Rh1 2.47039(19) . ?
Rh1 P1 2.2026(5) . ?
Rh1 C12 2.2315(18) . ?
Rh1 C7 2.281(2) . ?
Rh1 C11 2.3001(19) . ?
Rh1 C10 2.330(2) . ?
Rh1 C8 2.346(2) . ?
Rh1 C9 2.356(2) . ?
P1 C44 1.831(2) . ?
P1 C50 1.8455(19) . ?
P1 C2 1.867(2) . ?
C1 C2 1.400(3) . ?
C1 C6 1.400(3) . ?
C2 C3 1.400(3) . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.418(3) . ?
C7 C12 1.440(3) . ?
C7 C41 1.524(3) . ?
C8 C9 1.412(3) . ?
C8 H8 1.0000 . ?
C9 C10 1.418(3) . ?
C9 C38 1.524(3) . ?
C10 C11 1.420(3) . ?
C10 H10 1.0000 . ?
C11 C12 1.434(3) . ?
C11 C35 1.525(3) . ?
C12 C13 1.511(2) . ?
C13 C14 1.398(3) . ?
C13 C18 1.406(3) . ?
C14 C15 1.393(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.399(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.404(2) . ?
C17 C19 1.500(3) . ?
C19 C20 1.402(3) . ?
C19 C24 1.414(3) . ?
C20 C21 1.403(3) . ?
C20 C32 1.522(3) . ?
C21 C22 1.386(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(4) . ?
C22 C80 1.539(5) . ?
C22 C84 1.553(10) . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.526(3) . ?
C25 C26 1.529(3) . ?
C25 C27 1.536(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C32 C33 1.530(3) . ?
C32 C34 1.530(3) . ?
C32 H32 1.0000 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.523(3) . ?
C35 C37 1.532(3) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.493(4) . ?
C38 C40 1.523(4) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.530(3) . ?
C41 C43 1.531(3) . ?
C41 H41 1.0000 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.397(3) . ?
C44 C49 1.397(3) . ?
C45 C46 1.386(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.384(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.394(3) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C55 1.391(3) . ?
C50 C51 1.398(3) . ?
C51 C52 1.394(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.383(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.394(3) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.510(4) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.534(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.528(4) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.548(4) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C80 C82 1.52(3) . ?
C80 C81 1.526(6) . ?
C80 H80 1.0000 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C84 1.499(13) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.57(6) . ?
C84 H84 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 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
C1 Sn1 C18 130.31(7) . . ?
C1 Sn1 Cl1 104.38(6) . . ?
C18 Sn1 Cl1 99.39(5) . . ?
C1 Sn1 Rh1 105.35(5) . . ?
C18 Sn1 Rh1 97.49(5) . . ?
Cl1 Sn1 Rh1 122.137(16) . . ?
P1 Rh1 C12 160.24(5) . . ?
P1 Rh1 C7 157.17(5) . . ?
C12 Rh1 C7 37.19(7) . . ?
P1 Rh1 C11 136.84(5) . . ?
C12 Rh1 C11 36.86(7) . . ?
C7 Rh1 C11 65.97(7) . . ?
P1 Rh1 C10 121.23(5) . . ?
C12 Rh1 C10 64.89(7) . . ?
C7 Rh1 C10 75.84(7) . . ?
C11 Rh1 C10 35.72(6) . . ?
P1 Rh1 C8 134.74(5) . . ?
C12 Rh1 C8 64.99(7) . . ?
C7 Rh1 C8 35.65(7) . . ?
C11 Rh1 C8 75.72(7) . . ?
C10 Rh1 C8 62.72(7) . . ?
P1 Rh1 C9 119.56(5) . . ?
C12 Rh1 C9 76.87(7) . . ?
C7 Rh1 C9 64.32(7) . . ?
C11 Rh1 C9 64.50(7) . . ?
C10 Rh1 C9 35.24(7) . . ?
C8 Rh1 C9 34.94(7) . . ?
P1 Rh1 Sn1 82.276(14) . . ?
C12 Rh1 Sn1 82.94(5) . . ?
C7 Rh1 Sn1 93.55(5) . . ?
C11 Rh1 Sn1 104.14(5) . . ?
C10 Rh1 Sn1 139.50(5) . . ?
C8 Rh1 Sn1 125.84(5) . . ?
C9 Rh1 Sn1 157.52(5) . . ?
C44 P1 C50 103.44(9) . . ?
C44 P1 C2 103.29(9) . . ?
C50 P1 C2 99.10(9) . . ?
C44 P1 Rh1 115.11(7) . . ?
C50 P1 Rh1 116.41(7) . . ?
C2 P1 Rh1 117.19(6) . . ?
C2 C1 C6 120.31(19) . . ?
C2 C1 Sn1 110.91(14) . . ?
C6 C1 Sn1 128.76(15) . . ?
C1 C2 C3 119.09(18) . . ?
C1 C2 P1 118.50(15) . . ?
C3 C2 P1 122.18(15) . . ?
C4 C3 C2 119.99(19) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.7(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 119.9(2) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 119.9(2) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 118.93(18) . . ?
C8 C7 C41 120.65(18) . . ?
C12 C7 C41 120.35(16) . . ?
C8 C7 Rh1 74.68(12) . . ?
C12 C7 Rh1 69.52(11) . . ?
C41 C7 Rh1 129.84(13) . . ?
C9 C8 C7 121.53(19) . . ?
C9 C8 Rh1 72.89(12) . . ?
C7 C8 Rh1 69.68(11) . . ?
C9 C8 H8 118.5 . . ?
C7 C8 H8 118.5 . . ?
Rh1 C8 H8 118.5 . . ?
C8 C9 C10 118.62(17) . . ?
C8 C9 C38 119.58(19) . . ?
C10 C9 C38 121.75(19) . . ?
C8 C9 Rh1 72.17(11) . . ?
C10 C9 Rh1 71.38(11) . . ?
C38 C9 Rh1 129.94(15) . . ?
C9 C10 C11 122.20(18) . . ?
C9 C10 Rh1 73.39(11) . . ?
C11 C10 Rh1 71.01(11) . . ?
C9 C10 H10 118.3 . . ?
C11 C10 H10 118.3 . . ?
Rh1 C10 H10 118.3 . . ?
C10 C11 C12 118.15(18) . . ?
C10 C11 C35 119.51(18) . . ?
C12 C11 C35 122.32(16) . . ?
C10 C11 Rh1 73.27(11) . . ?
C12 C11 Rh1 68.97(11) . . ?
C35 C11 Rh1 130.48(14) . . ?
C11 C12 C7 120.43(16) . . ?
C11 C12 C13 117.82(17) . . ?
C7 C12 C13 121.71(17) . . ?
C11 C12 Rh1 74.17(11) . . ?
C7 C12 Rh1 73.29(11) . . ?
C13 C12 Rh1 122.27(13) . . ?
C14 C13 C18 119.46(17) . . ?
C14 C13 C12 119.63(17) . . ?
C18 C13 C12 120.59(16) . . ?
C15 C14 C13 120.04(18) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.25(18) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.69(17) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C18 118.96(18) . . ?
C16 C17 C19 120.66(16) . . ?
C18 C17 C19 120.18(17) . . ?
C17 C18 C13 120.32(17) . . ?
C17 C18 Sn1 126.68(14) . . ?
C13 C18 Sn1 112.96(13) . . ?
C20 C19 C24 120.25(18) . . ?
C20 C19 C17 120.97(18) . . ?
C24 C19 C17 118.78(17) . . ?
C19 C20 C21 118.6(2) . . ?
C19 C20 C32 121.42(18) . . ?
C21 C20 C32 119.99(19) . . ?
C22 C21 C20 122.0(2) . . ?
C22 C21 H21 119.0 . . ?
C20 C21 H21 119.0 . . ?
C23 C22 C21 118.4(2) . . ?
C23 C22 C80 113.3(3) . . ?
C21 C22 C80 128.3(3) . . ?
C23 C22 C84 132.8(4) . . ?
C21 C22 C84 108.7(4) . . ?
C80 C22 C84 20.1(3) . . ?
C22 C23 C24 122.2(2) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C23 C24 C19 118.6(2) . . ?
C23 C24 C25 119.7(2) . . ?
C19 C24 C25 121.70(18) . . ?
C24 C25 C26 110.42(19) . . ?
C24 C25 C27 114.8(2) . . ?
C26 C25 C27 110.0(2) . . ?
C24 C25 H25 107.1 . . ?
C26 C25 H25 107.1 . . ?
C27 C25 H25 107.1 . . ?
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 . . ?
C20 C32 C33 112.7(2) . . ?
C20 C32 C34 111.28(17) . . ?
C33 C32 C34 109.56(19) . . ?
C20 C32 H32 107.7 . . ?
C33 C32 H32 107.7 . . ?
C34 C32 H32 107.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C11 113.13(18) . . ?
C36 C35 C37 110.7(2) . . ?
C11 C35 C37 109.91(18) . . ?
C36 C35 H35 107.6 . . ?
C11 C35 H35 107.6 . . ?
C37 C35 H35 107.6 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C40 109.9(2) . . ?
C39 C38 C9 110.1(2) . . ?
C40 C38 C9 113.9(2) . . ?
C39 C38 H38 107.6 . . ?
C40 C38 H38 107.6 . . ?
C9 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C7 C41 C42 109.63(16) . . ?
C7 C41 C43 113.92(17) . . ?
C42 C41 C43 110.19(18) . . ?
C7 C41 H41 107.6 . . ?
C42 C41 H41 107.6 . . ?
C43 C41 H41 107.6 . . ?
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 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C49 118.20(19) . . ?
C45 C44 P1 120.19(15) . . ?
C49 C44 P1 121.11(16) . . ?
C46 C45 C44 120.8(2) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
C45 C46 C47 120.4(2) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 H46 119.8 . . ?
C48 C47 C46 119.6(2) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C47 C48 C49 119.9(2) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 C44 121.1(2) . . ?
C48 C49 H49 119.5 . . ?
C44 C49 H49 119.5 . . ?
C55 C50 C51 118.77(18) . . ?
C55 C50 P1 117.81(15) . . ?
C51 C50 P1 123.33(15) . . ?
C52 C51 C50 120.4(2) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C53 C52 C51 120.1(2) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.07(19) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C55 119.9(2) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C50 C55 C54 120.7(2) . . ?
C50 C55 H55 119.6 . . ?
C54 C55 H55 119.6 . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C56 C57 C58 112.5(3) . . ?
C56 C57 H57A 109.1 . . ?
C58 C57 H57A 109.1 . . ?
C56 C57 H57B 109.1 . . ?
C58 C57 H57B 109.1 . . ?
H57A C57 H57B 107.8 . . ?
C59 C58 C57 113.1(2) . . ?
C59 C58 H58A 109.0 . . ?
C57 C58 H58A 109.0 . . ?
C59 C58 H58B 109.0 . . ?
C57 C58 H58B 109.0 . . ?
H58A C58 H58B 107.8 . . ?
C58 C59 C60 111.0(3) . . ?
C58 C59 H59A 109.4 . . ?
C60 C59 H59A 109.4 . . ?
C58 C59 H59B 109.4 . . ?
C60 C59 H59B 109.4 . . ?
H59A C59 H59B 108.0 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C82 C80 C81 108.2(11) . . ?
C82 C80 C22 109.4(11) . . ?
C81 C80 C22 111.1(3) . . ?
C82 C80 H80 109.4 . . ?
C81 C80 H80 109.4 . . ?
C22 C80 H80 109.4 . . ?
C84 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C84 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C83 C84 C22 104.6(7) . . ?
C83 C84 C85 112(2) . . ?
C22 C84 C85 108(2) . . ?
C83 C84 H84 110.7 . . ?
C22 C84 H84 110.7 . . ?
C85 C84 H84 110.7 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?

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
C1 Sn1 Rh1 P1 17.42(6) . . . . ?
C18 Sn1 Rh1 P1 152.88(5) . . . . ?
Cl1 Sn1 Rh1 P1 -101.05(2) . . . . ?
C1 Sn1 Rh1 C12 -149.43(8) . . . . ?
C18 Sn1 Rh1 C12 -13.98(7) . . . . ?
Cl1 Sn1 Rh1 C12 92.10(5) . . . . ?
C1 Sn1 Rh1 C7 174.86(8) . . . . ?
C18 Sn1 Rh1 C7 -49.69(7) . . . . ?
Cl1 Sn1 Rh1 C7 56.39(5) . . . . ?
C1 Sn1 Rh1 C11 -119.05(8) . . . . ?
C18 Sn1 Rh1 C11 16.41(7) . . . . ?
Cl1 Sn1 Rh1 C11 122.49(6) . . . . ?
C1 Sn1 Rh1 C10 -112.89(10) . . . . ?
C18 Sn1 Rh1 C10 22.56(10) . . . . ?
Cl1 Sn1 Rh1 C10 128.64(8) . . . . ?
C1 Sn1 Rh1 C8 158.52(8) . . . . ?
C18 Sn1 Rh1 C8 -66.02(8) . . . . ?
Cl1 Sn1 Rh1 C8 40.05(7) . . . . ?
C1 Sn1 Rh1 C9 -175.54(15) . . . . ?
C18 Sn1 Rh1 C9 -40.08(15) . . . . ?
Cl1 Sn1 Rh1 C9 66.00(14) . . . . ?
C12 Rh1 P1 C44 -102.63(17) . . . . ?
C7 Rh1 P1 C44 134.77(14) . . . . ?
C11 Rh1 P1 C44 -42.05(10) . . . . ?
C10 Rh1 P1 C44 0.10(9) . . . . ?
C8 Rh1 P1 C44 81.26(10) . . . . ?
C9 Rh1 P1 C44 41.14(10) . . . . ?
Sn1 Rh1 P1 C44 -144.51(7) . . . . ?
C12 Rh1 P1 C50 136.09(16) . . . . ?
C7 Rh1 P1 C50 13.49(15) . . . . ?
C11 Rh1 P1 C50 -163.33(9) . . . . ?
C10 Rh1 P1 C50 -121.18(9) . . . . ?
C8 Rh1 P1 C50 -40.02(10) . . . . ?
C9 Rh1 P1 C50 -80.14(9) . . . . ?
Sn1 Rh1 P1 C50 94.21(7) . . . . ?
C12 Rh1 P1 C2 19.12(17) . . . . ?
C7 Rh1 P1 C2 -103.49(14) . . . . ?
C11 Rh1 P1 C2 79.70(10) . . . . ?
C10 Rh1 P1 C2 121.84(9) . . . . ?
C8 Rh1 P1 C2 -157.00(10) . . . . ?
C9 Rh1 P1 C2 162.89(9) . . . . ?
Sn1 Rh1 P1 C2 -22.77(7) . . . . ?
C18 Sn1 C1 C2 -124.43(14) . . . . ?
Cl1 Sn1 C1 C2 119.58(14) . . . . ?
Rh1 Sn1 C1 C2 -10.20(15) . . . . ?
C18 Sn1 C1 C6 57.5(2) . . . . ?
Cl1 Sn1 C1 C6 -58.5(2) . . . . ?
Rh1 Sn1 C1 C6 171.71(18) . . . . ?
C6 C1 C2 C3 -2.4(3) . . . . ?
Sn1 C1 C2 C3 179.33(15) . . . . ?
C6 C1 C2 P1 172.19(16) . . . . ?
Sn1 C1 C2 P1 -6.1(2) . . . . ?
C44 P1 C2 C1 151.32(16) . . . . ?
C50 P1 C2 C1 -102.44(17) . . . . ?
Rh1 P1 C2 C1 23.62(18) . . . . ?
C44 P1 C2 C3 -34.27(19) . . . . ?
C50 P1 C2 C3 71.97(18) . . . . ?
Rh1 P1 C2 C3 -161.97(15) . . . . ?
C1 C2 C3 C4 0.9(3) . . . . ?
P1 C2 C3 C4 -173.53(17) . . . . ?
C2 C3 C4 C5 1.3(3) . . . . ?
C3 C4 C5 C6 -1.8(4) . . . . ?
C4 C5 C6 C1 0.3(3) . . . . ?
C2 C1 C6 C5 1.8(3) . . . . ?
Sn1 C1 C6 C5 179.78(17) . . . . ?
P1 Rh1 C7 C8 -78.50(17) . . . . ?
C12 Rh1 C7 C8 129.62(17) . . . . ?
C11 Rh1 C7 C8 99.12(13) . . . . ?
C10 Rh1 C7 C8 62.66(12) . . . . ?
C9 Rh1 C7 C8 27.09(12) . . . . ?
Sn1 Rh1 C7 C8 -156.97(11) . . . . ?
P1 Rh1 C7 C12 151.89(11) . . . . ?
C11 Rh1 C7 C12 -30.50(10) . . . . ?
C10 Rh1 C7 C12 -66.95(11) . . . . ?
C8 Rh1 C7 C12 -129.62(17) . . . . ?
C9 Rh1 C7 C12 -102.53(12) . . . . ?
Sn1 Rh1 C7 C12 73.41(10) . . . . ?
P1 Rh1 C7 C41 38.9(3) . . . . ?
C12 Rh1 C7 C41 -113.0(2) . . . . ?
C11 Rh1 C7 C41 -143.51(19) . . . . ?
C10 Rh1 C7 C41 -179.96(18) . . . . ?
C8 Rh1 C7 C41 117.4(2) . . . . ?
C9 Rh1 C7 C41 144.46(19) . . . . ?
Sn1 Rh1 C7 C41 -39.60(17) . . . . ?
C12 C7 C8 C9 2.1(3) . . . . ?
C41 C7 C8 C9 178.96(19) . . . . ?
Rh1 C7 C8 C9 -53.47(19) . . . . ?
C12 C7 C8 Rh1 55.54(16) . . . . ?
C41 C7 C8 Rh1 -127.57(18) . . . . ?
P1 Rh1 C8 C9 -78.14(13) . . . . ?
C12 Rh1 C8 C9 103.31(13) . . . . ?
C7 Rh1 C8 C9 134.22(18) . . . . ?
C11 Rh1 C8 C9 65.71(12) . . . . ?
C10 Rh1 C8 C9 29.94(11) . . . . ?
Sn1 Rh1 C8 C9 163.02(9) . . . . ?
P1 Rh1 C8 C7 147.64(10) . . . . ?
C12 Rh1 C8 C7 -30.91(11) . . . . ?
C11 Rh1 C8 C7 -68.51(12) . . . . ?
C10 Rh1 C8 C7 -104.28(13) . . . . ?
C9 Rh1 C8 C7 -134.22(18) . . . . ?
Sn1 Rh1 C8 C7 28.80(14) . . . . ?
C7 C8 C9 C10 -4.1(3) . . . . ?
Rh1 C8 C9 C10 -56.10(17) . . . . ?
C7 C8 C9 C38 178.4(2) . . . . ?
Rh1 C8 C9 C38 126.36(19) . . . . ?
C7 C8 C9 Rh1 52.03(18) . . . . ?
P1 Rh1 C9 C8 126.94(11) . . . . ?
C12 Rh1 C9 C8 -64.90(12) . . . . ?
C7 Rh1 C9 C8 -27.61(11) . . . . ?
C11 Rh1 C9 C8 -101.86(13) . . . . ?
C10 Rh1 C9 C8 -129.75(18) . . . . ?
Sn1 Rh1 C9 C8 -38.3(2) . . . . ?
P1 Rh1 C9 C10 -103.31(11) . . . . ?
C12 Rh1 C9 C10 64.85(12) . . . . ?
C7 Rh1 C9 C10 102.14(13) . . . . ?
C11 Rh1 C9 C10 27.88(11) . . . . ?
C8 Rh1 C9 C10 129.75(18) . . . . ?
Sn1 Rh1 C9 C10 91.49(18) . . . . ?
P1 Rh1 C9 C38 12.9(2) . . . . ?
C12 Rh1 C9 C38 -178.9(2) . . . . ?
C7 Rh1 C9 C38 -141.6(2) . . . . ?
C11 Rh1 C9 C38 144.1(2) . . . . ?
C10 Rh1 C9 C38 116.2(3) . . . . ?
C8 Rh1 C9 C38 -114.0(2) . . . . ?
Sn1 Rh1 C9 C38 -152.28(14) . . . . ?
C8 C9 C10 C11 2.6(3) . . . . ?
C38 C9 C10 C11 -179.9(2) . . . . ?
Rh1 C9 C10 C11 -53.90(18) . . . . ?
C8 C9 C10 Rh1 56.50(17) . . . . ?
C38 C9 C10 Rh1 -126.0(2) . . . . ?
P1 Rh1 C10 C9 98.14(12) . . . . ?
C12 Rh1 C10 C9 -103.22(13) . . . . ?
C7 Rh1 C10 C9 -65.32(12) . . . . ?
C11 Rh1 C10 C9 -133.69(18) . . . . ?
C8 Rh1 C10 C9 -29.70(12) . . . . ?
Sn1 Rh1 C10 C9 -143.95(10) . . . . ?
P1 Rh1 C10 C11 -128.17(10) . . . . ?
C12 Rh1 C10 C11 30.48(11) . . . . ?
C7 Rh1 C10 C11 68.37(12) . . . . ?
C8 Rh1 C10 C11 103.99(13) . . . . ?
C9 Rh1 C10 C11 133.69(18) . . . . ?
Sn1 Rh1 C10 C11 -10.26(16) . . . . ?
C9 C10 C11 C12 0.8(3) . . . . ?
Rh1 C10 C11 C12 -54.14(16) . . . . ?
C9 C10 C11 C35 -177.53(19) . . . . ?
Rh1 C10 C11 C35 127.50(18) . . . . ?
C9 C10 C11 Rh1 54.97(18) . . . . ?
P1 Rh1 C11 C10 79.36(13) . . . . ?
C12 Rh1 C11 C10 -130.04(17) . . . . ?
C7 Rh1 C11 C10 -99.29(13) . . . . ?
C8 Rh1 C11 C10 -62.86(12) . . . . ?
C9 Rh1 C11 C10 -27.53(12) . . . . ?
Sn1 Rh1 C11 C10 173.15(11) . . . . ?
P1 Rh1 C11 C12 -150.60(9) . . . . ?
C7 Rh1 C11 C12 30.76(10) . . . . ?
C10 Rh1 C11 C12 130.04(17) . . . . ?
C8 Rh1 C11 C12 67.18(11) . . . . ?
C9 Rh1 C11 C12 102.51(12) . . . . ?
Sn1 Rh1 C11 C12 -56.81(11) . . . . ?
P1 Rh1 C11 C35 -35.5(2) . . . . ?
C12 Rh1 C11 C35 115.1(2) . . . . ?
C7 Rh1 C11 C35 145.90(19) . . . . ?
C10 Rh1 C11 C35 -114.8(2) . . . . ?
C8 Rh1 C11 C35 -177.67(19) . . . . ?
C9 Rh1 C11 C35 -142.34(19) . . . . ?
Sn1 Rh1 C11 C35 58.34(17) . . . . ?
C10 C11 C12 C7 -2.9(3) . . . . ?
C35 C11 C12 C7 175.44(18) . . . . ?
Rh1 C11 C12 C7 -59.13(16) . . . . ?
C10 C11 C12 C13 174.81(17) . . . . ?
C35 C11 C12 C13 -6.9(3) . . . . ?
Rh1 C11 C12 C13 118.55(16) . . . . ?
C10 C11 C12 Rh1 56.26(16) . . . . ?
C35 C11 C12 Rh1 -125.43(18) . . . . ?
C8 C7 C12 C11 1.5(3) . . . . ?
C41 C7 C12 C11 -175.42(17) . . . . ?
Rh1 C7 C12 C11 59.56(16) . . . . ?
C8 C7 C12 C13 -176.11(18) . . . . ?
C41 C7 C12 C13 7.0(3) . . . . ?
Rh1 C7 C12 C13 -118.02(17) . . . . ?
C8 C7 C12 Rh1 -58.08(17) . . . . ?
C41 C7 C12 Rh1 125.01(17) . . . . ?
P1 Rh1 C12 C11 83.34(18) . . . . ?
C7 Rh1 C12 C11 -129.40(16) . . . . ?
C10 Rh1 C12 C11 -29.58(11) . . . . ?
C8 Rh1 C12 C11 -99.71(12) . . . . ?
C9 Rh1 C12 C11 -64.80(11) . . . . ?
Sn1 Rh1 C12 C11 125.15(10) . . . . ?
P1 Rh1 C12 C7 -147.26(13) . . . . ?
C11 Rh1 C12 C7 129.40(16) . . . . ?
C10 Rh1 C12 C7 99.83(12) . . . . ?
C8 Rh1 C12 C7 29.69(11) . . . . ?
C9 Rh1 C12 C7 64.60(11) . . . . ?
Sn1 Rh1 C12 C7 -105.45(10) . . . . ?
P1 Rh1 C12 C13 -29.9(3) . . . . ?
C7 Rh1 C12 C13 117.4(2) . . . . ?
C11 Rh1 C12 C13 -113.2(2) . . . . ?
C10 Rh1 C12 C13 -142.82(17) . . . . ?
C8 Rh1 C12 C13 147.05(17) . . . . ?
C9 Rh1 C12 C13 -178.04(17) . . . . ?
Sn1 Rh1 C12 C13 11.91(14) . . . . ?
C11 C12 C13 C14 85.0(2) . . . . ?
C7 C12 C13 C14 -97.4(2) . . . . ?
Rh1 C12 C13 C14 173.18(14) . . . . ?
C11 C12 C13 C18 -88.5(2) . . . . ?
C7 C12 C13 C18 89.2(2) . . . . ?
Rh1 C12 C13 C18 -0.3(3) . . . . ?
C18 C13 C14 C15 1.9(3) . . . . ?
C12 C13 C14 C15 -171.62(19) . . . . ?
C13 C14 C15 C16 2.5(3) . . . . ?
C14 C15 C16 C17 -3.2(3) . . . . ?
C15 C16 C17 C18 -0.5(3) . . . . ?
C15 C16 C17 C19 174.31(19) . . . . ?
C16 C17 C18 C13 5.0(3) . . . . ?
C19 C17 C18 C13 -169.89(18) . . . . ?
C16 C17 C18 Sn1 -172.55(14) . . . . ?
C19 C17 C18 Sn1 12.6(3) . . . . ?
C14 C13 C18 C17 -5.7(3) . . . . ?
C12 C13 C18 C17 167.78(18) . . . . ?
C14 C13 C18 Sn1 172.18(15) . . . . ?
C12 C13 C18 Sn1 -14.4(2) . . . . ?
C1 Sn1 C18 C17 -45.2(2) . . . . ?
Cl1 Sn1 C18 C17 72.90(17) . . . . ?
Rh1 Sn1 C18 C17 -162.65(16) . . . . ?
C1 Sn1 C18 C13 137.15(14) . . . . ?
Cl1 Sn1 C18 C13 -104.80(13) . . . . ?
Rh1 Sn1 C18 C13 19.65(14) . . . . ?
C16 C17 C19 C20 77.1(2) . . . . ?
C18 C17 C19 C20 -108.1(2) . . . . ?
C16 C17 C19 C24 -102.6(2) . . . . ?
C18 C17 C19 C24 72.2(2) . . . . ?
C24 C19 C20 C21 1.5(3) . . . . ?
C17 C19 C20 C21 -178.16(18) . . . . ?
C24 C19 C20 C32 -179.29(18) . . . . ?
C17 C19 C20 C32 1.0(3) . . . . ?
C19 C20 C21 C22 -0.3(3) . . . . ?
C32 C20 C21 C22 -179.5(2) . . . . ?
C20 C21 C22 C23 -0.4(3) . . . . ?
C20 C21 C22 C80 -178.7(3) . . . . ?
C20 C21 C22 C84 176.2(4) . . . . ?
C21 C22 C23 C24 0.0(3) . . . . ?
C80 C22 C23 C24 178.5(2) . . . . ?
C84 C22 C23 C24 -175.7(5) . . . . ?
C22 C23 C24 C19 1.2(3) . . . . ?
C22 C23 C24 C25 179.2(2) . . . . ?
C20 C19 C24 C23 -2.0(3) . . . . ?
C17 C19 C24 C23 177.74(18) . . . . ?
C20 C19 C24 C25 -179.95(19) . . . . ?
C17 C19 C24 C25 -0.2(3) . . . . ?
C23 C24 C25 C26 -95.7(2) . . . . ?
C19 C24 C25 C26 82.3(2) . . . . ?
C23 C24 C25 C27 29.3(3) . . . . ?
C19 C24 C25 C27 -152.7(2) . . . . ?
C19 C20 C32 C33 135.6(2) . . . . ?
C21 C20 C32 C33 -45.3(3) . . . . ?
C19 C20 C32 C34 -100.9(2) . . . . ?
C21 C20 C32 C34 78.3(2) . . . . ?
C10 C11 C35 C36 -46.8(3) . . . . ?
C12 C11 C35 C36 134.9(2) . . . . ?
Rh1 C11 C35 C36 46.0(3) . . . . ?
C10 C11 C35 C37 77.6(2) . . . . ?
C12 C11 C35 C37 -100.7(2) . . . . ?
Rh1 C11 C35 C37 170.36(16) . . . . ?
C8 C9 C38 C39 64.1(3) . . . . ?
C10 C9 C38 C39 -113.4(3) . . . . ?
Rh1 C9 C38 C39 155.0(2) . . . . ?
C8 C9 C38 C40 -171.9(2) . . . . ?
C10 C9 C38 C40 10.6(3) . . . . ?
Rh1 C9 C38 C40 -81.0(3) . . . . ?
C8 C7 C41 C42 -91.5(2) . . . . ?
C12 C7 C41 C42 85.3(2) . . . . ?
Rh1 C7 C41 C42 173.04(14) . . . . ?
C8 C7 C41 C43 32.5(3) . . . . ?
C12 C7 C41 C43 -150.70(19) . . . . ?
Rh1 C7 C41 C43 -63.0(2) . . . . ?
C50 P1 C44 C45 -151.95(17) . . . . ?
C2 P1 C44 C45 -49.04(19) . . . . ?
Rh1 P1 C44 C45 79.95(18) . . . . ?
C50 P1 C44 C49 36.31(19) . . . . ?
C2 P1 C44 C49 139.22(17) . . . . ?
Rh1 P1 C44 C49 -91.79(17) . . . . ?
C49 C44 C45 C46 -0.1(3) . . . . ?
P1 C44 C45 C46 -172.03(19) . . . . ?
C44 C45 C46 C47 0.1(4) . . . . ?
C45 C46 C47 C48 -0.2(4) . . . . ?
C46 C47 C48 C49 0.2(4) . . . . ?
C47 C48 C49 C44 -0.1(4) . . . . ?
C45 C44 C49 C48 0.0(3) . . . . ?
P1 C44 C49 C48 171.94(18) . . . . ?
C44 P1 C50 C55 -144.90(16) . . . . ?
C2 P1 C50 C55 108.98(16) . . . . ?
Rh1 P1 C50 C55 -17.62(17) . . . . ?
C44 P1 C50 C51 38.57(18) . . . . ?
C2 P1 C50 C51 -67.55(18) . . . . ?
Rh1 P1 C50 C51 165.85(14) . . . . ?
C55 C50 C51 C52 0.6(3) . . . . ?
P1 C50 C51 C52 177.06(15) . . . . ?
C50 C51 C52 C53 -1.2(3) . . . . ?
C51 C52 C53 C54 0.7(3) . . . . ?
C52 C53 C54 C55 0.5(3) . . . . ?
C51 C50 C55 C54 0.6(3) . . . . ?
P1 C50 C55 C54 -176.10(16) . . . . ?
C53 C54 C55 C50 -1.1(3) . . . . ?
C56 C57 C58 C59 -67.2(3) . . . . ?
C57 C58 C59 C60 -176.8(3) . . . . ?
C23 C22 C80 C82 86.2(11) . . . . ?
C21 C22 C80 C82 -95.5(11) . . . . ?
C84 C22 C80 C82 -81.2(18) . . . . ?
C23 C22 C80 C81 -154.3(3) . . . . ?
C21 C22 C80 C81 24.0(5) . . . . ?
C84 C22 C80 C81 38.3(13) . . . . ?
C23 C22 C84 C83 -71.1(8) . . . . ?
C21 C22 C84 C83 112.9(6) . . . . ?
C80 C22 C84 C83 -55.3(12) . . . . ?
C23 C22 C84 C85 49(2) . . . . ?
C21 C22 C84 C85 -127(2) . . . . ?
C80 C22 C84 C85 65(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        28.30
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.073
####################################################################### 
# 
# 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_kk100_0m
_database_code_depnum_ccdc_archive 'CCDC 1575451'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H75 Cl P Rh Sn'
_chemical_formula_weight         1012.16

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'
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'
Rh Rh -1.1178 0.9187 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7739(3)
_cell_length_b                   21.1752(7)
_cell_length_c                   21.9700(7)
_cell_angle_alpha                102.270(2)
_cell_angle_beta                 95.204(2)
_cell_angle_gamma                95.573(2)
_cell_volume                     4842.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9840
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      26.39

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.126
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.062
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2104
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8757
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            74568
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.35
_reflns_number_total             17674
_reflns_number_gt                12760
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0377P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17674
_refine_ls_number_parameters     1058
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0740
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_restrained_S_all      0.989
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.311338(19) 0.229510(10) 0.498445(9) 0.01135(6) Uani 1 1 d . . .
Rh1 Rh 0.22836(2) 0.329096(12) 0.551737(11) 0.01077(6) Uani 1 1 d . . .
Cl1 Cl 0.52105(7) 0.23245(4) 0.46760(4) 0.01826(18) Uani 1 1 d . . .
P1 P 0.29878(7) 0.29622(4) 0.63730(4) 0.01304(18) Uani 1 1 d . . .
C1 C 0.2114(3) 0.21580(15) 0.40640(14) 0.0114(7) Uani 1 1 d . . .
Sn2 Sn 0.774393(19) 0.221827(10) 0.000073(9) 0.01137(6) Uani 1 1 d . . .
Rh2 Rh 0.68878(2) 0.321617(12) 0.049326(11) 0.01083(6) Uani 1 1 d . . .
Cl2 Cl 0.99110(7) 0.22823(4) -0.02083(4) 0.02012(18) Uani 1 1 d . . .
P2 P 0.74850(7) 0.29069(4) 0.13739(4) 0.01230(18) Uani 1 1 d . . .
C2 C 0.2017(3) 0.16116(15) 0.35643(13) 0.0104(7) Uani 1 1 d . . .
C3 C 0.1456(3) 0.16503(15) 0.29765(14) 0.0130(7) Uani 1 1 d . . .
H3 H 0.1374 0.1282 0.2636 0.016 Uiso 1 1 calc R . .
C4 C 0.1017(3) 0.22227(15) 0.28854(14) 0.0142(7) Uani 1 1 d . . .
H4 H 0.0682 0.2251 0.2478 0.017 Uiso 1 1 calc R . .
C5 C 0.1066(3) 0.27531(15) 0.33851(14) 0.0121(7) Uani 1 1 d . . .
H5 H 0.0740 0.3138 0.3322 0.015 Uiso 1 1 calc R . .
C6 C 0.1592(3) 0.27222(15) 0.39784(14) 0.0108(7) Uani 1 1 d . . .
C7 C 0.1525(3) 0.32746(15) 0.45335(14) 0.0120(5) Uani 1 1 d . . .
C8 C 0.0443(3) 0.32581(15) 0.48720(14) 0.0138(7) Uani 1 1 d . . .
C9 C 0.0417(3) 0.37592(15) 0.53969(14) 0.0139(7) Uani 1 1 d . . .
H9 H -0.0225 0.3701 0.5687 0.017 Uiso 1 1 calc R . .
C10 C 0.1365(3) 0.42944(15) 0.55892(14) 0.0146(5) Uani 1 1 d . . .
C11 C 0.1172(3) 0.48554(16) 0.61207(14) 0.0180(7) Uani 1 1 d . . .
H11 H 0.0822 0.4666 0.6458 0.022 Uiso 1 1 calc R . .
C12 C 0.2364(3) 0.52987(18) 0.64101(16) 0.0292(9) Uani 1 1 d . . .
H12A H 0.3005 0.5038 0.6534 0.044 Uiso 1 1 calc R . .
H12B H 0.2188 0.5612 0.6780 0.044 Uiso 1 1 calc R . .
H12C H 0.2671 0.5533 0.6103 0.044 Uiso 1 1 calc R . .
C13 C 0.0196(3) 0.52544(18) 0.58787(16) 0.0280(9) Uani 1 1 d . . .
H13A H 0.0513 0.5441 0.5543 0.042 Uiso 1 1 calc R . .
H13B H 0.0043 0.5606 0.6223 0.042 Uiso 1 1 calc R . .
H13C H -0.0590 0.4971 0.5716 0.042 Uiso 1 1 calc R . .
C14 C 0.2387(3) 0.43189(15) 0.52370(14) 0.0138(7) Uani 1 1 d . . .
H14 H 0.3133 0.4647 0.5413 0.017 Uiso 1 1 calc R . .
C15 C 0.2506(3) 0.38075(15) 0.47222(14) 0.0135(7) Uani 1 1 d . . .
C16 C 0.3627(3) 0.38471(16) 0.43484(14) 0.0150(7) Uani 1 1 d . . .
H16 H 0.3655 0.3404 0.4083 0.018 Uiso 1 1 calc R . .
C17 C 0.3415(3) 0.43073(17) 0.39071(15) 0.0221(8) Uani 1 1 d . . .
H17A H 0.4126 0.4329 0.3661 0.033 Uiso 1 1 calc R . .
H17B H 0.3344 0.4743 0.4154 0.033 Uiso 1 1 calc R . .
H17C H 0.2641 0.4145 0.3624 0.033 Uiso 1 1 calc R . .
C18 C 0.4880(3) 0.40450(16) 0.47625(15) 0.0194(7) Uani 1 1 d . . .
H18A H 0.5561 0.4066 0.4498 0.029 Uiso 1 1 calc R . .
H18B H 0.5012 0.3723 0.5016 0.029 Uiso 1 1 calc R . .
H18C H 0.4871 0.4473 0.5040 0.029 Uiso 1 1 calc R . .
C19 C -0.0665(3) 0.27334(16) 0.46425(14) 0.0153(7) Uani 1 1 d . . .
H19 H -0.0358 0.2354 0.4368 0.018 Uiso 1 1 calc R . .
C20 C -0.1663(3) 0.29848(18) 0.42434(16) 0.0266(8) Uani 1 1 d . . .
H20A H -0.1284 0.3134 0.3902 0.040 Uiso 1 1 calc R . .
H20B H -0.2001 0.3348 0.4506 0.040 Uiso 1 1 calc R . .
H20C H -0.2343 0.2634 0.4067 0.040 Uiso 1 1 calc R . .
C21 C -0.1246(3) 0.24911(18) 0.51725(15) 0.0256(8) Uani 1 1 d . . .
H21A H -0.1896 0.2125 0.4994 0.038 Uiso 1 1 calc R . .
H21B H -0.1623 0.2844 0.5428 0.038 Uiso 1 1 calc R . .
H21C H -0.0593 0.2349 0.5435 0.038 Uiso 1 1 calc R . .
C22 C 0.2364(3) 0.09689(15) 0.36797(13) 0.0120(7) Uani 1 1 d . . .
C23 C 0.1478(3) 0.05930(15) 0.39334(14) 0.0147(7) Uani 1 1 d . . .
C24 C 0.1760(3) -0.00027(16) 0.40435(14) 0.0166(7) Uani 1 1 d . . .
H24 H 0.1162 -0.0257 0.4212 0.020 Uiso 1 1 calc R . .
C25 C 0.2895(3) -0.02365(16) 0.39138(14) 0.0165(7) Uani 1 1 d . . .
C26 C 0.3220(3) -0.08828(16) 0.40492(16) 0.0219(8) Uani 1 1 d . . .
H26 H 0.3982 -0.0989 0.3838 0.026 Uiso 1 1 calc R . .
C27 C 0.3573(3) -0.08180(16) 0.47512(15) 0.0217(8) Uani 1 1 d . . .
H27A H 0.3793 -0.1235 0.4826 0.033 Uiso 1 1 calc R . .
H27B H 0.2859 -0.0694 0.4977 0.033 Uiso 1 1 calc R . .
H27C H 0.4293 -0.0483 0.4900 0.033 Uiso 1 1 calc R . .
C28 C 0.2201(3) -0.14416(17) 0.37839(17) 0.0294(9) Uani 1 1 d . . .
H28A H 0.2027 -0.1485 0.3330 0.044 Uiso 1 1 calc R . .
H28B H 0.1437 -0.1357 0.3982 0.044 Uiso 1 1 calc R . .
H28C H 0.2480 -0.1845 0.3867 0.044 Uiso 1 1 calc R . .
C29 C 0.3744(3) 0.01393(15) 0.36632(14) 0.0153(7) Uani 1 1 d . . .
H29 H 0.4517 -0.0018 0.3569 0.018 Uiso 1 1 calc R . .
C30 C 0.3510(3) 0.07387(15) 0.35431(14) 0.0133(7) Uani 1 1 d . . .
C31 C 0.4452(3) 0.11109(16) 0.32336(14) 0.0147(7) Uani 1 1 d . . .
H31 H 0.4333 0.1582 0.3347 0.018 Uiso 1 1 calc R . .
C32 C 0.5820(3) 0.10472(17) 0.34417(15) 0.0206(8) Uani 1 1 d . . .
H32A H 0.5997 0.0602 0.3274 0.031 Uiso 1 1 calc R . .
H32B H 0.5962 0.1144 0.3901 0.031 Uiso 1 1 calc R . .
H32C H 0.6376 0.1355 0.3284 0.031 Uiso 1 1 calc R . .
C33 C 0.4186(3) 0.08814(17) 0.25204(14) 0.0211(8) Uani 1 1 d . . .
H33A H 0.4784 0.1128 0.2322 0.032 Uiso 1 1 calc R . .
H33B H 0.3329 0.0953 0.2385 0.032 Uiso 1 1 calc R . .
H33C H 0.4275 0.0417 0.2398 0.032 Uiso 1 1 calc R . .
C34 C 0.0204(3) 0.08168(17) 0.40584(16) 0.0228(8) Uani 1 1 d . . .
H34 H 0.0244 0.1277 0.4008 0.027 Uiso 1 1 calc R . .
C37 C 0.3164(3) 0.16939(16) 0.56500(14) 0.0142(7) Uani 1 1 d . . .
C38 C 0.3125(3) 0.20697(15) 0.62595(14) 0.0134(7) Uani 1 1 d . . .
C39 C 0.3209(3) 0.17566(16) 0.67608(15) 0.0177(7) Uani 1 1 d . . .
H39 H 0.3209 0.2001 0.7177 0.021 Uiso 1 1 calc R . .
C40 C 0.3292(3) 0.10915(17) 0.66552(15) 0.0216(8) Uani 1 1 d . . .
H40 H 0.3334 0.0884 0.6998 0.026 Uiso 1 1 calc R . .
C41 C 0.3315(3) 0.07291(17) 0.60512(15) 0.0212(8) Uani 1 1 d . . .
H41 H 0.3361 0.0274 0.5981 0.025 Uiso 1 1 calc R . .
C42 C 0.3270(3) 0.10340(16) 0.55520(15) 0.0169(7) Uani 1 1 d . . .
H42 H 0.3312 0.0789 0.5140 0.020 Uiso 1 1 calc R . .
C43 C 0.4613(3) 0.33249(15) 0.67433(14) 0.0149(7) Uani 1 1 d . . .
H43 H 0.4700 0.3283 0.7190 0.018 Uiso 1 1 calc R . .
C44 C 0.4850(3) 0.40508(15) 0.67351(15) 0.0183(7) Uani 1 1 d . . .
H44A H 0.4709 0.4100 0.6297 0.022 Uiso 1 1 calc R . .
H44B H 0.4237 0.4288 0.6975 0.022 Uiso 1 1 calc R . .
C45 C 0.6177(3) 0.43564(16) 0.70148(15) 0.0202(8) Uani 1 1 d . . .
H45A H 0.6288 0.4817 0.6983 0.024 Uiso 1 1 calc R . .
H45B H 0.6295 0.4346 0.7464 0.024 Uiso 1 1 calc R . .
C46 C 0.7160(3) 0.39955(17) 0.66762(16) 0.0228(8) Uani 1 1 d . . .
H46A H 0.8010 0.4188 0.6880 0.027 Uiso 1 1 calc R . .
H46B H 0.7097 0.4040 0.6235 0.027 Uiso 1 1 calc R . .
C47 C 0.6964(3) 0.32775(16) 0.66933(15) 0.0201(8) Uani 1 1 d . . .
H47A H 0.7102 0.3232 0.7133 0.024 Uiso 1 1 calc R . .
H47B H 0.7586 0.3045 0.6457 0.024 Uiso 1 1 calc R . .
C48 C 0.5631(3) 0.29686(16) 0.64067(14) 0.0167(7) Uani 1 1 d . . .
H48A H 0.5524 0.2507 0.6435 0.020 Uiso 1 1 calc R . .
H48B H 0.5521 0.2981 0.5957 0.020 Uiso 1 1 calc R . .
C49 C 0.2079(3) 0.30708(16) 0.70631(14) 0.0166(7) Uani 1 1 d . . .
H49 H 0.2516 0.2869 0.7381 0.020 Uiso 1 1 calc R . .
C50 C 0.0768(3) 0.27038(17) 0.68822(15) 0.0228(8) Uani 1 1 d . . .
H50A H 0.0829 0.2243 0.6685 0.027 Uiso 1 1 calc R . .
H50B H 0.0300 0.2895 0.6571 0.027 Uiso 1 1 calc R . .
C51 C 0.0049(3) 0.27351(18) 0.74611(16) 0.0276(9) Uani 1 1 d . . .
H51A H -0.0810 0.2506 0.7330 0.033 Uiso 1 1 calc R . .
H51B H 0.0480 0.2513 0.7758 0.033 Uiso 1 1 calc R . .
C52 C -0.0024(3) 0.34364(18) 0.77857(16) 0.0288(9) Uani 1 1 d . . .
H52A H -0.0436 0.3445 0.8172 0.035 Uiso 1 1 calc R . .
H52B H -0.0544 0.3642 0.7506 0.035 Uiso 1 1 calc R . .
C53 C 0.1273(3) 0.38241(17) 0.79547(15) 0.0221(8) Uani 1 1 d . . .
H53A H 0.1753 0.3655 0.8279 0.027 Uiso 1 1 calc R . .
H53B H 0.1184 0.4285 0.8134 0.027 Uiso 1 1 calc R . .
C54 C 0.2007(3) 0.37839(16) 0.73807(15) 0.0199(8) Uani 1 1 d . . .
H54A H 0.1586 0.4003 0.7078 0.024 Uiso 1 1 calc R . .
H54B H 0.2866 0.4012 0.7514 0.024 Uiso 1 1 calc R . .
C56 C 0.7786(3) 0.16420(15) 0.06932(14) 0.0126(7) Uani 1 1 d . . .
C57 C 0.7793(3) 0.20432(15) 0.12884(14) 0.0126(7) Uani 1 1 d . . .
C58 C 0.6330(3) 0.30307(16) 0.19651(14) 0.0154(7) Uani 1 1 d . . .
H58 H 0.6217 0.3503 0.2031 0.019 Uiso 1 1 calc R . .
C59 C 0.6640(3) 0.29219(18) 0.26246(14) 0.0230(8) Uani 1 1 d . . .
H59A H 0.7469 0.3162 0.2809 0.028 Uiso 1 1 calc R . .
H59B H 0.6686 0.2453 0.2602 0.028 Uiso 1 1 calc R . .
C60 C 0.5630(3) 0.31573(19) 0.30450(15) 0.0265(9) Uani 1 1 d . . .
H60A H 0.5837 0.3079 0.3469 0.032 Uiso 1 1 calc R . .
H60B H 0.5612 0.3631 0.3085 0.032 Uiso 1 1 calc R . .
C61 C 0.4354(3) 0.27964(18) 0.27627(15) 0.0248(8) Uani 1 1 d . . .
H61A H 0.4356 0.2327 0.2755 0.030 Uiso 1 1 calc R . .
H61B H 0.3708 0.2962 0.3028 0.030 Uiso 1 1 calc R . .
C62 C 0.4026(3) 0.28815(17) 0.21066(15) 0.0216(8) Uani 1 1 d . . .
H62A H 0.3926 0.3344 0.2120 0.026 Uiso 1 1 calc R . .
H62B H 0.3214 0.2618 0.1926 0.026 Uiso 1 1 calc R . .
C63 C 0.5039(3) 0.26731(17) 0.16854(15) 0.0203(8) Uani 1 1 d . . .
H63A H 0.5065 0.2198 0.1629 0.024 Uiso 1 1 calc R . .
H63B H 0.4822 0.2765 0.1268 0.024 Uiso 1 1 calc R . .
C64 C 0.8969(3) 0.33586(15) 0.18219(14) 0.0152(7) Uani 1 1 d . . .
H64 H 0.9096 0.3227 0.2232 0.018 Uiso 1 1 calc R . .
C65 C 0.8885(3) 0.40941(16) 0.19491(15) 0.0210(8) Uani 1 1 d . . .
H65A H 0.8679 0.4221 0.1547 0.025 Uiso 1 1 calc R . .
H65B H 0.8200 0.4198 0.2212 0.025 Uiso 1 1 calc R . .
C66 C 1.0114(3) 0.44850(17) 0.22813(16) 0.0254(8) Uani 1 1 d . . .
H66A H 1.0038 0.4956 0.2341 0.030 Uiso 1 1 calc R . .
H66B H 1.0284 0.4388 0.2700 0.030 Uiso 1 1 calc R . .
C67 C 1.1193(3) 0.43200(17) 0.19035(16) 0.0257(8) Uani 1 1 d . . .
H67A H 1.1985 0.4565 0.2136 0.031 Uiso 1 1 calc R . .
H67B H 1.1059 0.4454 0.1500 0.031 Uiso 1 1 calc R . .
C68 C 1.1305(3) 0.35952(17) 0.17771(16) 0.0227(8) Uani 1 1 d . . .
H68A H 1.1535 0.3471 0.2179 0.027 Uiso 1 1 calc R . .
H68B H 1.1983 0.3499 0.1508 0.027 Uiso 1 1 calc R . .
C69 C 1.0080(3) 0.31927(17) 0.14549(15) 0.0193(8) Uani 1 1 d . . .
H69A H 1.0168 0.2725 0.1411 0.023 Uiso 1 1 calc R . .
H69B H 0.9911 0.3273 0.1029 0.023 Uiso 1 1 calc R . .
C70 C 0.7241(3) 0.37627(15) -0.02710(14) 0.0133(7) Uani 1 1 d . . .
C71 C 0.8396(3) 0.38519(16) -0.06200(14) 0.0165(7) Uani 1 1 d . . .
H71 H 0.8451 0.3428 -0.0915 0.020 Uiso 1 1 calc R . .
C72 C 0.9628(3) 0.40350(17) -0.01867(16) 0.0235(8) Uani 1 1 d . . .
H72A H 1.0330 0.4060 -0.0438 0.035 Uiso 1 1 calc R . .
H72B H 0.9732 0.3704 0.0059 0.035 Uiso 1 1 calc R . .
H72C H 0.9614 0.4459 0.0097 0.035 Uiso 1 1 calc R . .
C73 C 0.8187(3) 0.43551(17) -0.10123(16) 0.0253(8) Uani 1 1 d . . .
H73A H 0.8910 0.4410 -0.1245 0.038 Uiso 1 1 calc R . .
H73B H 0.8091 0.4772 -0.0736 0.038 Uiso 1 1 calc R . .
H73C H 0.7426 0.4206 -0.1308 0.038 Uiso 1 1 calc R . .
C74 C 0.7074(3) 0.42444(15) 0.02539(14) 0.0142(7) Uani 1 1 d . . .
H74 H 0.7810 0.4567 0.0462 0.017 Uiso 1 1 calc R . .
C75 C 0.5991(3) 0.42020(15) 0.05718(14) 0.0146(5) Uani 1 1 d . . .
C76 C 0.5862(3) 0.47444(16) 0.11291(14) 0.0187(7) Uani 1 1 d . . .
H76 H 0.6682 0.4842 0.1403 0.022 Uiso 1 1 calc R . .
C77 C 0.5597(3) 0.53624(17) 0.09137(16) 0.0277(9) Uani 1 1 d . . .
H77A H 0.6262 0.5486 0.0671 0.042 Uiso 1 1 calc R . .
H77B H 0.5570 0.5715 0.1281 0.042 Uiso 1 1 calc R . .
H77C H 0.4787 0.5283 0.0651 0.042 Uiso 1 1 calc R . .
C78 C 0.4837(3) 0.45682(18) 0.15295(16) 0.0295(9) Uani 1 1 d . . .
H78A H 0.4009 0.4544 0.1295 0.044 Uiso 1 1 calc R . .
H78B H 0.4904 0.4903 0.1919 0.044 Uiso 1 1 calc R . .
H78C H 0.4946 0.4146 0.1629 0.044 Uiso 1 1 calc R . .
C79 C 0.5040(3) 0.36814(15) 0.03241(14) 0.0138(7) Uani 1 1 d . . .
H79 H 0.4350 0.3607 0.0586 0.017 Uiso 1 1 calc R . .
C80 C 0.5144(3) 0.31889(15) -0.02092(14) 0.0124(7) Uani 1 1 d . . .
C81 C 0.4058(3) 0.26654(16) -0.04861(15) 0.0179(7) Uani 1 1 d . . .
H81 H 0.4398 0.2309 -0.0776 0.021 Uiso 1 1 calc R . .
C82 C 0.3075(3) 0.29346(17) -0.08790(17) 0.0285(9) Uani 1 1 d . . .
H82A H 0.3478 0.3119 -0.1195 0.043 Uiso 1 1 calc R . .
H82B H 0.2700 0.3275 -0.0605 0.043 Uiso 1 1 calc R . .
H82C H 0.2418 0.2582 -0.1088 0.043 Uiso 1 1 calc R . .
C83 C 0.3443(3) 0.23630(17) 0.00044(15) 0.0244(8) Uani 1 1 d . . .
H83A H 0.2796 0.2007 -0.0207 0.037 Uiso 1 1 calc R . .
H83B H 0.3057 0.2696 0.0282 0.037 Uiso 1 1 calc R . .
H83C H 0.4081 0.2193 0.0252 0.037 Uiso 1 1 calc R . .
C84 C 0.6297(3) 0.32272(15) -0.04993(14) 0.0120(5) Uani 1 1 d . . .
C85 C 0.6448(3) 0.26802(15) -0.10503(14) 0.0118(7) Uani 1 1 d . . .
C86 C 0.6917(3) 0.21069(15) -0.09513(14) 0.0116(7) Uani 1 1 d . . .
C87 C 0.6904(3) 0.15679(15) -0.14522(13) 0.0119(7) Uani 1 1 d . . .
C88 C 0.6488(3) 0.16278(16) -0.20556(14) 0.0162(7) Uani 1 1 d . . .
H88 H 0.6480 0.1269 -0.2400 0.019 Uiso 1 1 calc R . .
C89 C 0.6087(3) 0.22033(16) -0.21598(14) 0.0180(7) Uani 1 1 d . . .
H89 H 0.5837 0.2241 -0.2575 0.022 Uiso 1 1 calc R . .
C90 C 0.6050(3) 0.27256(16) -0.16580(14) 0.0167(7) Uani 1 1 d . . .
H90 H 0.5753 0.3114 -0.1731 0.020 Uiso 1 1 calc R . .
C91 C 0.7195(3) 0.09271(14) -0.13190(13) 0.0110(7) Uani 1 1 d . . .
C93 C 0.6265(3) 0.05641(15) -0.10857(14) 0.0147(7) Uani 1 1 d . . .
C94 C 0.4959(3) 0.07828(16) -0.10260(15) 0.0203(8) Uani 1 1 d . . .
H94 H 0.5045 0.1263 -0.0996 0.024 Uiso 1 1 calc R . .
C95 C 0.4403(3) 0.06600(18) -0.04405(16) 0.0269(8) Uani 1 1 d . . .
H95A H 0.3612 0.0851 -0.0407 0.040 Uiso 1 1 calc R . .
H95B H 0.4995 0.0860 -0.0068 0.040 Uiso 1 1 calc R . .
H95C H 0.4244 0.0190 -0.0470 0.040 Uiso 1 1 calc R . .
C96 C 0.4076(3) 0.04635(19) -0.16191(16) 0.0281(9) Uani 1 1 d . . .
H96A H 0.4440 0.0563 -0.1986 0.042 Uiso 1 1 calc R . .
H96B H 0.3262 0.0631 -0.1592 0.042 Uiso 1 1 calc R . .
H96C H 0.3961 -0.0009 -0.1660 0.042 Uiso 1 1 calc R . .
C97 C 0.6504(3) -0.00271(15) -0.09449(14) 0.0155(7) Uani 1 1 d . . .
H97 H 0.5864 -0.0273 -0.0794 0.019 Uiso 1 1 calc R . .
C98 C 0.7646(3) -0.02665(16) -0.10175(14) 0.0169(7) Uani 1 1 d . . .
C99 C 0.7879(3) -0.08931(16) -0.08182(15) 0.0191(7) Uani 1 1 d . . .
H99 H 0.7061 -0.1087 -0.0716 0.023 Uiso 1 1 calc R . .
C100 C 0.8796(3) -0.07530(16) -0.02232(14) 0.0197(8) Uani 1 1 d . . .
H10A H 0.8927 -0.1162 -0.0100 0.030 Uiso 1 1 calc R . .
H10B H 0.8453 -0.0464 0.0114 0.030 Uiso 1 1 calc R . .
H10C H 0.9599 -0.0542 -0.0300 0.030 Uiso 1 1 calc R . .
C101 C 0.8331(3) -0.13982(17) -0.13147(16) 0.0261(8) Uani 1 1 d . . .
H10D H 0.7726 -0.1498 -0.1693 0.039 Uiso 1 1 calc R . .
H10E H 0.8411 -0.1795 -0.1159 0.039 Uiso 1 1 calc R . .
H10F H 0.9150 -0.1230 -0.1415 0.039 Uiso 1 1 calc R . .
C102 C 0.8548(3) 0.00941(15) -0.12560(14) 0.0164(7) Uani 1 1 d . . .
H102 H 0.9334 -0.0065 -0.1311 0.020 Uiso 1 1 calc R . .
C103 C 0.8350(3) 0.06833(16) -0.14197(14) 0.0150(7) Uani 1 1 d . . .
C104 C 0.9320(3) 0.10327(16) -0.17342(14) 0.0181(7) Uani 1 1 d . . .
H104 H 0.9154 0.1497 -0.1677 0.022 Uiso 1 1 calc R . .
C105 C 1.0681(3) 0.10258(18) -0.14675(16) 0.0232(8) Uani 1 1 d . . .
H10G H 1.0902 0.0580 -0.1570 0.035 Uiso 1 1 calc R . .
H10H H 1.0771 0.1184 -0.1011 0.035 Uiso 1 1 calc R . .
H10I H 1.1240 0.1308 -0.1651 0.035 Uiso 1 1 calc R . .
C106 C 0.9148(3) 0.0729(2) -0.24356(16) 0.0317(9) Uani 1 1 d . . .
H10J H 0.8285 0.0747 -0.2608 0.048 Uiso 1 1 calc R . .
H10K H 0.9317 0.0274 -0.2504 0.048 Uiso 1 1 calc R . .
H10L H 0.9733 0.0970 -0.2645 0.048 Uiso 1 1 calc R . .
C107 C 0.8065(3) 0.17749(16) 0.18158(15) 0.0167(7) Uani 1 1 d . . .
H107 H 0.8145 0.2045 0.2226 0.020 Uiso 1 1 calc R . .
C108 C 0.8216(3) 0.11209(16) 0.17379(15) 0.0170(7) Uani 1 1 d . . .
H108 H 0.8370 0.0942 0.2095 0.020 Uiso 1 1 calc R . .
C109 C 0.8144(3) 0.07294(16) 0.11458(15) 0.0165(7) Uani 1 1 d . . .
H109 H 0.8222 0.0279 0.1096 0.020 Uiso 1 1 calc R . .
C110 C 0.7959(3) 0.09912(16) 0.06224(15) 0.0161(7) Uani 1 1 d . . .
H110 H 0.7952 0.0725 0.0215 0.019 Uiso 1 1 calc R . .
C36 C -0.0822(4) 0.0426(3) 0.3576(3) 0.086(2) Uani 1 1 d . . .
H36A H -0.0654 0.0482 0.3159 0.128 Uiso 1 1 calc R . .
H36B H -0.1630 0.0578 0.3669 0.128 Uiso 1 1 calc R . .
H36C H -0.0851 -0.0035 0.3588 0.128 Uiso 1 1 calc R . .
C35 C -0.0087(4) 0.0825(3) 0.4718(2) 0.0709(17) Uani 1 1 d . . .
H35A H -0.0824 0.1053 0.4800 0.106 Uiso 1 1 calc R . .
H35B H 0.0634 0.1050 0.5016 0.106 Uiso 1 1 calc R . .
H35C H -0.0259 0.0377 0.4769 0.106 Uiso 1 1 calc R . .


_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 C37 2.134(3) . ?
Sn1 C1 2.151(3) . ?
Sn1 Cl1 2.4159(8) . ?
Sn1 Rh1 2.4746(3) . ?
Rh1 C7 2.232(3) . ?
Rh1 P1 2.2348(8) . ?
Rh1 C15 2.268(3) . ?
Rh1 C8 2.317(3) . ?
Rh1 C9 2.345(3) . ?
Rh1 C14 2.380(3) . ?
Rh1 C10 2.411(3) . ?
P1 C49 1.864(3) . ?
P1 C38 1.875(3) . ?
P1 C43 1.880(3) . ?
C1 C2 1.404(4) . ?
C1 C6 1.409(4) . ?
Sn2 C56 2.143(3) . ?
Sn2 C86 2.153(3) . ?
Sn2 Cl2 2.4166(8) . ?
Sn2 Rh2 2.4646(3) . ?
Rh2 C84 2.221(3) . ?
Rh2 P2 2.2318(8) . ?
Rh2 C70 2.271(3) . ?
Rh2 C80 2.308(3) . ?
Rh2 C79 2.340(3) . ?
Rh2 C74 2.341(3) . ?
Rh2 C75 2.364(3) . ?
P2 C64 1.859(3) . ?
P2 C57 1.864(3) . ?
P2 C58 1.875(3) . ?
C2 C3 1.397(4) . ?
C2 C22 1.511(4) . ?
C3 C4 1.389(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.512(4) . ?
C7 C15 1.433(4) . ?
C7 C8 1.439(4) . ?
C8 C9 1.396(4) . ?
C8 C19 1.520(4) . ?
C9 C10 1.414(5) . ?
C9 H9 1.0000 . ?
C10 C14 1.404(4) . ?
C10 C11 1.523(4) . ?
C11 C12 1.516(5) . ?
C11 C13 1.538(4) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.415(4) . ?
C14 H14 1.0000 . ?
C15 C16 1.526(4) . ?
C16 C18 1.527(4) . ?
C16 C17 1.532(4) . ?
C16 H16 1.0000 . ?
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 1.528(4) . ?
C19 C20 1.532(4) . ?
C19 H19 1.0000 . ?
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 C30 1.405(4) . ?
C22 C23 1.412(4) . ?
C23 C24 1.390(4) . ?
C23 C34 1.524(4) . ?
C24 C25 1.394(4) . ?
C24 H24 0.9500 . ?
C25 C29 1.382(4) . ?
C25 C26 1.527(4) . ?
C26 C28 1.511(5) . ?
C26 C27 1.528(4) . ?
C26 H26 1.0000 . ?
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 C30 1.392(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.520(4) . ?
C31 C32 1.530(4) . ?
C31 C33 1.530(4) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.505(6) . ?
C34 C35 1.508(5) . ?
C34 H34 1.0000 . ?
C37 C42 1.385(4) . ?
C37 C38 1.411(4) . ?
C38 C39 1.402(4) . ?
C39 C40 1.391(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.388(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.385(4) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.538(4) . ?
C43 C48 1.546(4) . ?
C43 H43 1.0000 . ?
C44 C45 1.527(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.523(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.523(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.538(4) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.520(5) . ?
C49 C54 1.536(4) . ?
C49 H49 1.0000 . ?
C50 C51 1.541(4) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.517(5) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.523(5) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.540(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C56 C110 1.387(4) . ?
C56 C57 1.399(4) . ?
C57 C107 1.415(4) . ?
C58 C63 1.526(4) . ?
C58 C59 1.527(4) . ?
C58 H58 1.0000 . ?
C59 C60 1.542(4) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.516(5) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.505(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.532(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C69 1.530(4) . ?
C64 C65 1.536(4) . ?
C64 H64 1.0000 . ?
C65 C66 1.525(5) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.515(5) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.519(5) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.525(4) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C74 1.406(4) . ?
C70 C84 1.419(4) . ?
C70 C71 1.536(4) . ?
C71 C73 1.527(4) . ?
C71 C72 1.528(4) . ?
C71 H71 1.0000 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C75 1.418(4) . ?
C74 H74 1.0000 . ?
C75 C79 1.409(4) . ?
C75 C76 1.517(4) . ?
C76 C77 1.527(4) . ?
C76 C78 1.539(4) . ?
C76 H76 1.0000 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 C80 1.414(4) . ?
C79 H79 1.0000 . ?
C80 C84 1.450(4) . ?
C80 C81 1.516(4) . ?
C81 C83 1.534(4) . ?
C81 C82 1.534(4) . ?
C81 H81 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.520(4) . ?
C85 C90 1.391(4) . ?
C85 C86 1.410(4) . ?
C86 C87 1.405(4) . ?
C87 C88 1.396(4) . ?
C87 C91 1.503(4) . ?
C88 C89 1.388(4) . ?
C88 H88 0.9500 . ?
C89 C90 1.392(4) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C93 1.403(4) . ?
C91 C103 1.410(4) . ?
C93 C97 1.393(4) . ?
C93 C94 1.532(4) . ?
C94 C95 1.528(4) . ?
C94 C96 1.528(5) . ?
C94 H94 1.0000 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.385(4) . ?
C97 H97 0.9500 . ?
C98 C102 1.386(5) . ?
C98 C99 1.519(4) . ?
C99 C101 1.508(4) . ?
C99 C100 1.522(4) . ?
C99 H99 1.0000 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 C103 1.400(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.521(4) . ?
C104 C106 1.525(4) . ?
C104 C105 1.532(4) . ?
C104 H104 1.0000 . ?
C105 H10G 0.9800 . ?
C105 H10H 0.9800 . ?
C105 H10I 0.9800 . ?
C106 H10J 0.9800 . ?
C106 H10K 0.9800 . ?
C106 H10L 0.9800 . ?
C107 C108 1.386(4) . ?
C107 H107 0.9500 . ?
C108 C109 1.377(4) . ?
C108 H108 0.9500 . ?
C109 C110 1.386(4) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 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
C37 Sn1 C1 132.18(12) . . ?
C37 Sn1 Cl1 103.07(8) . . ?
C1 Sn1 Cl1 97.49(8) . . ?
C37 Sn1 Rh1 105.03(8) . . ?
C1 Sn1 Rh1 99.66(8) . . ?
Cl1 Sn1 Rh1 121.75(2) . . ?
C7 Rh1 P1 161.46(8) . . ?
C7 Rh1 C15 37.11(11) . . ?
P1 Rh1 C15 153.72(8) . . ?
C7 Rh1 C8 36.83(10) . . ?
P1 Rh1 C8 140.53(8) . . ?
C15 Rh1 C8 65.74(11) . . ?
C7 Rh1 C9 64.02(10) . . ?
P1 Rh1 C9 124.88(8) . . ?
C15 Rh1 C9 75.04(10) . . ?
C8 Rh1 C9 34.84(10) . . ?
C7 Rh1 C14 64.23(11) . . ?
P1 Rh1 C14 133.76(8) . . ?
C15 Rh1 C14 35.34(10) . . ?
C8 Rh1 C14 74.52(11) . . ?
C9 Rh1 C14 61.59(11) . . ?
C7 Rh1 C10 75.42(10) . . ?
P1 Rh1 C10 121.61(7) . . ?
C15 Rh1 C10 63.27(10) . . ?
C8 Rh1 C10 63.00(11) . . ?
C9 Rh1 C10 34.55(11) . . ?
C14 Rh1 C10 34.08(10) . . ?
C7 Rh1 Sn1 81.47(7) . . ?
P1 Rh1 Sn1 82.12(2) . . ?
C15 Rh1 Sn1 94.46(7) . . ?
C8 Rh1 Sn1 101.20(8) . . ?
C9 Rh1 Sn1 135.52(8) . . ?
C14 Rh1 Sn1 127.79(7) . . ?
C10 Rh1 Sn1 156.12(7) . . ?
C49 P1 C38 99.24(14) . . ?
C49 P1 C43 101.98(14) . . ?
C38 P1 C43 101.28(14) . . ?
C49 P1 Rh1 119.61(11) . . ?
C38 P1 Rh1 115.71(10) . . ?
C43 P1 Rh1 116.03(10) . . ?
C2 C1 C6 120.2(3) . . ?
C2 C1 Sn1 127.8(2) . . ?
C6 C1 Sn1 111.8(2) . . ?
C56 Sn2 C86 136.99(12) . . ?
C56 Sn2 Cl2 100.76(8) . . ?
C86 Sn2 Cl2 97.09(8) . . ?
C56 Sn2 Rh2 105.06(8) . . ?
C86 Sn2 Rh2 99.46(8) . . ?
Cl2 Sn2 Rh2 119.39(2) . . ?
C84 Rh2 P2 163.79(8) . . ?
C84 Rh2 C70 36.79(11) . . ?
P2 Rh2 C70 152.30(8) . . ?
C84 Rh2 C80 37.28(10) . . ?
P2 Rh2 C80 141.71(8) . . ?
C70 Rh2 C80 65.80(11) . . ?
C84 Rh2 C79 64.86(10) . . ?
P2 Rh2 C79 123.98(8) . . ?
C70 Rh2 C79 75.32(10) . . ?
C80 Rh2 C79 35.42(10) . . ?
C84 Rh2 C74 64.66(11) . . ?
P2 Rh2 C74 130.76(8) . . ?
C70 Rh2 C74 35.45(10) . . ?
C80 Rh2 C74 75.49(11) . . ?
C79 Rh2 C74 62.41(11) . . ?
C84 Rh2 C75 76.75(10) . . ?
P2 Rh2 C75 118.55(8) . . ?
C70 Rh2 C75 64.17(10) . . ?
C80 Rh2 C75 64.10(11) . . ?
C79 Rh2 C75 34.86(11) . . ?
C74 Rh2 C75 35.08(10) . . ?
C84 Rh2 Sn2 82.26(8) . . ?
P2 Rh2 Sn2 82.75(2) . . ?
C70 Rh2 Sn2 96.29(8) . . ?
C80 Rh2 Sn2 100.97(7) . . ?
C79 Rh2 Sn2 135.56(8) . . ?
C74 Rh2 Sn2 129.54(7) . . ?
C75 Rh2 Sn2 158.62(7) . . ?
C64 P2 C57 102.18(14) . . ?
C64 P2 C58 102.96(14) . . ?
C57 P2 C58 105.12(14) . . ?
C64 P2 Rh2 115.01(10) . . ?
C57 P2 Rh2 116.59(10) . . ?
C58 P2 Rh2 113.38(10) . . ?
C3 C2 C1 118.9(3) . . ?
C3 C2 C22 120.4(3) . . ?
C1 C2 C22 120.3(3) . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.6(3) . . ?
C5 C6 C7 119.8(3) . . ?
C1 C6 C7 120.4(3) . . ?
C15 C7 C8 120.1(3) . . ?
C15 C7 C6 121.3(3) . . ?
C8 C7 C6 118.6(3) . . ?
C15 C7 Rh1 72.78(17) . . ?
C8 C7 Rh1 74.77(17) . . ?
C6 C7 Rh1 124.3(2) . . ?
C9 C8 C7 117.8(3) . . ?
C9 C8 C19 121.1(3) . . ?
C7 C8 C19 120.9(3) . . ?
C9 C8 Rh1 73.68(17) . . ?
C7 C8 Rh1 68.40(16) . . ?
C19 C8 Rh1 131.9(2) . . ?
C8 C9 C10 123.2(3) . . ?
C8 C9 Rh1 71.48(17) . . ?
C10 C9 Rh1 75.29(17) . . ?
C8 C9 H9 118.0 . . ?
C10 C9 H9 118.0 . . ?
Rh1 C9 H9 118.0 . . ?
C14 C10 C9 118.3(3) . . ?
C14 C10 C11 122.4(3) . . ?
C9 C10 C11 119.0(3) . . ?
C14 C10 Rh1 71.75(17) . . ?
C9 C10 Rh1 70.16(17) . . ?
C11 C10 Rh1 135.3(2) . . ?
C12 C11 C10 114.1(3) . . ?
C12 C11 C13 109.8(3) . . ?
C10 C11 C13 109.1(3) . . ?
C12 C11 H11 107.9 . . ?
C10 C11 H11 107.9 . . ?
C13 C11 H11 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 C15 121.3(3) . . ?
C10 C14 Rh1 74.16(18) . . ?
C15 C14 Rh1 67.99(17) . . ?
C10 C14 H14 118.6 . . ?
C15 C14 H14 118.6 . . ?
Rh1 C14 H14 118.6 . . ?
C14 C15 C7 119.2(3) . . ?
C14 C15 C16 120.1(3) . . ?
C7 C15 C16 120.6(3) . . ?
C14 C15 Rh1 76.67(18) . . ?
C7 C15 Rh1 70.11(17) . . ?
C16 C15 Rh1 127.7(2) . . ?
C15 C16 C18 113.2(3) . . ?
C15 C16 C17 109.1(2) . . ?
C18 C16 C17 111.7(3) . . ?
C15 C16 H16 107.5 . . ?
C18 C16 H16 107.5 . . ?
C17 C16 H16 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C8 C19 C21 113.4(3) . . ?
C8 C19 C20 109.7(3) . . ?
C21 C19 C20 110.1(3) . . ?
C8 C19 H19 107.8 . . ?
C21 C19 H19 107.8 . . ?
C20 C19 H19 107.8 . . ?
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 . . ?
C30 C22 C23 119.9(3) . . ?
C30 C22 C2 122.8(3) . . ?
C23 C22 C2 117.2(3) . . ?
C24 C23 C22 119.0(3) . . ?
C24 C23 C34 120.0(3) . . ?
C22 C23 C34 121.0(3) . . ?
C23 C24 C25 121.8(3) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 H24 119.1 . . ?
C29 C25 C24 118.1(3) . . ?
C29 C25 C26 120.1(3) . . ?
C24 C25 C26 121.9(3) . . ?
C28 C26 C25 113.3(3) . . ?
C28 C26 C27 111.4(3) . . ?
C25 C26 C27 110.9(3) . . ?
C28 C26 H26 107.0 . . ?
C25 C26 H26 107.0 . . ?
C27 C26 H26 107.0 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 C30 122.6(3) . . ?
C25 C29 H29 118.7 . . ?
C30 C29 H29 118.7 . . ?
C29 C30 C22 118.7(3) . . ?
C29 C30 C31 119.9(3) . . ?
C22 C30 C31 121.3(3) . . ?
C30 C31 C32 113.6(3) . . ?
C30 C31 C33 109.6(3) . . ?
C32 C31 C33 109.6(2) . . ?
C30 C31 H31 108.0 . . ?
C32 C31 H31 108.0 . . ?
C33 C31 H31 108.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 C35 112.0(4) . . ?
C36 C34 C23 111.1(3) . . ?
C35 C34 C23 112.9(3) . . ?
C36 C34 H34 106.8 . . ?
C35 C34 H34 106.8 . . ?
C23 C34 H34 106.8 . . ?
C42 C37 C38 120.8(3) . . ?
C42 C37 Sn1 128.8(2) . . ?
C38 C37 Sn1 110.3(2) . . ?
C39 C38 C37 118.0(3) . . ?
C39 C38 P1 122.5(2) . . ?
C37 C38 P1 119.5(2) . . ?
C40 C39 C38 120.7(3) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C39 120.4(3) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 C40 119.7(3) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C37 C42 C41 120.4(3) . . ?
C37 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C48 108.5(3) . . ?
C44 C43 P1 111.4(2) . . ?
C48 C43 P1 111.7(2) . . ?
C44 C43 H43 108.4 . . ?
C48 C43 H43 108.4 . . ?
P1 C43 H43 108.4 . . ?
C45 C44 C43 112.7(3) . . ?
C45 C44 H44A 109.0 . . ?
C43 C44 H44A 109.0 . . ?
C45 C44 H44B 109.0 . . ?
C43 C44 H44B 109.0 . . ?
H44A C44 H44B 107.8 . . ?
C46 C45 C44 111.2(3) . . ?
C46 C45 H45A 109.4 . . ?
C44 C45 H45A 109.4 . . ?
C46 C45 H45B 109.4 . . ?
C44 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C45 C46 C47 110.1(3) . . ?
C45 C46 H46A 109.6 . . ?
C47 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
C47 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
C46 C47 C48 111.1(3) . . ?
C46 C47 H47A 109.4 . . ?
C48 C47 H47A 109.4 . . ?
C46 C47 H47B 109.4 . . ?
C48 C47 H47B 109.4 . . ?
H47A C47 H47B 108.0 . . ?
C47 C48 C43 112.0(3) . . ?
C47 C48 H48A 109.2 . . ?
C43 C48 H48A 109.2 . . ?
C47 C48 H48B 109.2 . . ?
C43 C48 H48B 109.2 . . ?
H48A C48 H48B 107.9 . . ?
C50 C49 C54 110.3(3) . . ?
C50 C49 P1 110.4(2) . . ?
C54 C49 P1 114.3(2) . . ?
C50 C49 H49 107.1 . . ?
C54 C49 H49 107.1 . . ?
P1 C49 H49 107.1 . . ?
C49 C50 C51 111.0(3) . . ?
C49 C50 H50A 109.4 . . ?
C51 C50 H50A 109.4 . . ?
C49 C50 H50B 109.4 . . ?
C51 C50 H50B 109.4 . . ?
H50A C50 H50B 108.0 . . ?
C52 C51 C50 110.7(3) . . ?
C52 C51 H51A 109.5 . . ?
C50 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 108.1 . . ?
C51 C52 C53 111.6(3) . . ?
C51 C52 H52A 109.3 . . ?
C53 C52 H52A 109.3 . . ?
C51 C52 H52B 109.3 . . ?
C53 C52 H52B 109.3 . . ?
H52A C52 H52B 108.0 . . ?
C52 C53 C54 111.9(3) . . ?
C52 C53 H53A 109.2 . . ?
C54 C53 H53A 109.2 . . ?
C52 C53 H53B 109.2 . . ?
C54 C53 H53B 109.2 . . ?
H53A C53 H53B 107.9 . . ?
C49 C54 C53 110.5(3) . . ?
C49 C54 H54A 109.6 . . ?
C53 C54 H54A 109.6 . . ?
C49 C54 H54B 109.6 . . ?
C53 C54 H54B 109.6 . . ?
H54A C54 H54B 108.1 . . ?
C110 C56 C57 121.0(3) . . ?
C110 C56 Sn2 128.8(2) . . ?
C57 C56 Sn2 109.7(2) . . ?
C56 C57 C107 117.8(3) . . ?
C56 C57 P2 120.4(2) . . ?
C107 C57 P2 121.7(2) . . ?
C63 C58 C59 109.6(3) . . ?
C63 C58 P2 110.8(2) . . ?
C59 C58 P2 121.0(2) . . ?
C63 C58 H58 104.6 . . ?
C59 C58 H58 104.6 . . ?
P2 C58 H58 104.6 . . ?
C58 C59 C60 110.6(3) . . ?
C58 C59 H59A 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 108.1 . . ?
C61 C60 C59 110.0(3) . . ?
C61 C60 H60A 109.7 . . ?
C59 C60 H60A 109.7 . . ?
C61 C60 H60B 109.7 . . ?
C59 C60 H60B 109.7 . . ?
H60A C60 H60B 108.2 . . ?
C62 C61 C60 111.3(3) . . ?
C62 C61 H61A 109.4 . . ?
C60 C61 H61A 109.4 . . ?
C62 C61 H61B 109.4 . . ?
C60 C61 H61B 109.4 . . ?
H61A C61 H61B 108.0 . . ?
C61 C62 C63 111.6(3) . . ?
C61 C62 H62A 109.3 . . ?
C63 C62 H62A 109.3 . . ?
C61 C62 H62B 109.3 . . ?
C63 C62 H62B 109.3 . . ?
H62A C62 H62B 108.0 . . ?
C58 C63 C62 111.5(3) . . ?
C58 C63 H63A 109.3 . . ?
C62 C63 H63A 109.3 . . ?
C58 C63 H63B 109.3 . . ?
C62 C63 H63B 109.3 . . ?
H63A C63 H63B 108.0 . . ?
C69 C64 C65 110.3(3) . . ?
C69 C64 P2 110.0(2) . . ?
C65 C64 P2 109.9(2) . . ?
C69 C64 H64 108.9 . . ?
C65 C64 H64 108.9 . . ?
P2 C64 H64 108.9 . . ?
C66 C65 C64 111.6(3) . . ?
C66 C65 H65A 109.3 . . ?
C64 C65 H65A 109.3 . . ?
C66 C65 H65B 109.3 . . ?
C64 C65 H65B 109.3 . . ?
H65A C65 H65B 108.0 . . ?
C67 C66 C65 110.8(3) . . ?
C67 C66 H66A 109.5 . . ?
C65 C66 H66A 109.5 . . ?
C67 C66 H66B 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?
C66 C67 C68 111.2(3) . . ?
C66 C67 H67A 109.4 . . ?
C68 C67 H67A 109.4 . . ?
C66 C67 H67B 109.4 . . ?
C68 C67 H67B 109.4 . . ?
H67A C67 H67B 108.0 . . ?
C67 C68 C69 111.6(3) . . ?
C67 C68 H68A 109.3 . . ?
C69 C68 H68A 109.3 . . ?
C67 C68 H68B 109.3 . . ?
C69 C68 H68B 109.3 . . ?
H68A C68 H68B 108.0 . . ?
C68 C69 C64 112.0(3) . . ?
C68 C69 H69A 109.2 . . ?
C64 C69 H69A 109.2 . . ?
C68 C69 H69B 109.2 . . ?
C64 C69 H69B 109.2 . . ?
H69A C69 H69B 107.9 . . ?
C74 C70 C84 119.7(3) . . ?
C74 C70 C71 119.3(3) . . ?
C84 C70 C71 120.8(3) . . ?
C74 C70 Rh2 74.97(17) . . ?
C84 C70 Rh2 69.68(17) . . ?
C71 C70 Rh2 131.3(2) . . ?
C73 C71 C72 111.5(3) . . ?
C73 C71 C70 108.6(2) . . ?
C72 C71 C70 113.5(3) . . ?
C73 C71 H71 107.7 . . ?
C72 C71 H71 107.7 . . ?
C70 C71 H71 107.7 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C70 C74 C75 121.5(3) . . ?
C70 C74 Rh2 69.58(17) . . ?
C75 C74 Rh2 73.37(18) . . ?
C70 C74 H74 118.6 . . ?
C75 C74 H74 118.6 . . ?
Rh2 C74 H74 118.6 . . ?
C79 C75 C74 118.1(3) . . ?
C79 C75 C76 123.0(3) . . ?
C74 C75 C76 118.7(3) . . ?
C79 C75 Rh2 71.63(17) . . ?
C74 C75 Rh2 71.55(17) . . ?
C76 C75 Rh2 132.1(2) . . ?
C75 C76 C77 110.6(3) . . ?
C75 C76 C78 113.6(3) . . ?
C77 C76 C78 109.0(3) . . ?
C75 C76 H76 107.8 . . ?
C77 C76 H76 107.8 . . ?
C78 C76 H76 107.8 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C75 C79 C80 122.9(3) . . ?
C75 C79 Rh2 73.51(17) . . ?
C80 C79 Rh2 71.07(16) . . ?
C75 C79 H79 117.9 . . ?
C80 C79 H79 117.9 . . ?
Rh2 C79 H79 117.9 . . ?
C79 C80 C84 117.4(3) . . ?
C79 C80 C81 120.9(3) . . ?
C84 C80 C81 121.6(3) . . ?
C79 C80 Rh2 73.51(17) . . ?
C84 C80 Rh2 68.09(16) . . ?
C81 C80 Rh2 132.2(2) . . ?
C80 C81 C83 113.7(3) . . ?
C80 C81 C82 110.2(3) . . ?
C83 C81 C82 110.3(3) . . ?
C80 C81 H81 107.4 . . ?
C83 C81 H81 107.4 . . ?
C82 C81 H81 107.4 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C70 C84 C80 120.3(3) . . ?
C70 C84 C85 121.9(3) . . ?
C80 C84 C85 117.8(3) . . ?
C70 C84 Rh2 73.53(17) . . ?
C80 C84 Rh2 74.63(17) . . ?
C85 C84 Rh2 123.6(2) . . ?
C90 C85 C86 119.2(3) . . ?
C90 C85 C84 119.9(3) . . ?
C86 C85 C84 120.7(3) . . ?
C87 C86 C85 120.7(3) . . ?
C87 C86 Sn2 127.2(2) . . ?
C85 C86 Sn2 111.8(2) . . ?
C88 C87 C86 118.4(3) . . ?
C88 C87 C91 121.7(3) . . ?
C86 C87 C91 119.5(3) . . ?
C89 C88 C87 121.0(3) . . ?
C89 C88 H88 119.5 . . ?
C87 C88 H88 119.5 . . ?
C88 C89 C90 120.3(3) . . ?
C88 C89 H89 119.9 . . ?
C90 C89 H89 119.9 . . ?
C85 C90 C89 120.2(3) . . ?
C85 C90 H90 119.9 . . ?
C89 C90 H90 119.9 . . ?
C93 C91 C103 119.6(3) . . ?
C93 C91 C87 117.6(3) . . ?
C103 C91 C87 122.8(3) . . ?
C97 C93 C91 119.5(3) . . ?
C97 C93 C94 119.3(3) . . ?
C91 C93 C94 121.1(3) . . ?
C95 C94 C96 111.1(3) . . ?
C95 C94 C93 113.5(3) . . ?
C96 C94 C93 109.9(3) . . ?
C95 C94 H94 107.3 . . ?
C96 C94 H94 107.3 . . ?
C93 C94 H94 107.3 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C93 122.1(3) . . ?
C98 C97 H97 119.0 . . ?
C93 C97 H97 119.0 . . ?
C97 C98 C102 117.7(3) . . ?
C97 C98 C99 119.6(3) . . ?
C102 C98 C99 122.7(3) . . ?
C101 C99 C98 114.5(3) . . ?
C101 C99 C100 109.5(3) . . ?
C98 C99 C100 110.8(3) . . ?
C101 C99 H99 107.2 . . ?
C98 C99 H99 107.2 . . ?
C100 C99 H99 107.2 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C99 C101 H10D 109.5 . . ?
C99 C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C99 C101 H10F 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
C98 C102 C103 122.8(3) . . ?
C98 C102 H102 118.6 . . ?
C103 C102 H102 118.6 . . ?
C102 C103 C91 118.3(3) . . ?
C102 C103 C104 121.0(3) . . ?
C91 C103 C104 120.6(3) . . ?
C103 C104 C106 109.0(3) . . ?
C103 C104 C105 114.2(3) . . ?
C106 C104 C105 109.6(3) . . ?
C103 C104 H104 107.9 . . ?
C106 C104 H104 107.9 . . ?
C105 C104 H104 107.9 . . ?
C104 C105 H10G 109.5 . . ?
C104 C105 H10H 109.5 . . ?
H10G C105 H10H 109.5 . . ?
C104 C105 H10I 109.5 . . ?
H10G C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
C104 C106 H10J 109.5 . . ?
C104 C106 H10K 109.5 . . ?
H10J C106 H10K 109.5 . . ?
C104 C106 H10L 109.5 . . ?
H10J C106 H10L 109.5 . . ?
H10K C106 H10L 109.5 . . ?
C108 C107 C57 120.4(3) . . ?
C108 C107 H107 119.8 . . ?
C57 C107 H107 119.8 . . ?
C109 C108 C107 120.4(3) . . ?
C109 C108 H108 119.8 . . ?
C107 C108 H108 119.8 . . ?
C108 C109 C110 120.2(3) . . ?
C108 C109 H109 119.9 . . ?
C110 C109 H109 119.9 . . ?
C109 C110 C56 120.0(3) . . ?
C109 C110 H110 120.0 . . ?
C56 C110 H110 120.0 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

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
C37 Sn1 Rh1 C7 -149.03(12) . . . . ?
C1 Sn1 Rh1 C7 -10.35(11) . . . . ?
Cl1 Sn1 Rh1 C7 94.76(8) . . . . ?
C37 Sn1 Rh1 P1 22.32(9) . . . . ?
C1 Sn1 Rh1 P1 161.00(8) . . . . ?
Cl1 Sn1 Rh1 P1 -93.89(3) . . . . ?
C37 Sn1 Rh1 C15 176.11(11) . . . . ?
C1 Sn1 Rh1 C15 -45.22(11) . . . . ?
Cl1 Sn1 Rh1 C15 59.90(8) . . . . ?
C37 Sn1 Rh1 C8 -117.76(11) . . . . ?
C1 Sn1 Rh1 C8 20.91(11) . . . . ?
Cl1 Sn1 Rh1 C8 126.03(8) . . . . ?
C37 Sn1 Rh1 C9 -110.76(14) . . . . ?
C1 Sn1 Rh1 C9 27.91(13) . . . . ?
Cl1 Sn1 Rh1 C9 133.03(11) . . . . ?
C37 Sn1 Rh1 C14 163.23(13) . . . . ?
C1 Sn1 Rh1 C14 -58.09(12) . . . . ?
Cl1 Sn1 Rh1 C14 47.02(10) . . . . ?
C37 Sn1 Rh1 C10 -163.7(2) . . . . ?
C1 Sn1 Rh1 C10 -25.0(2) . . . . ?
Cl1 Sn1 Rh1 C10 80.14(19) . . . . ?
C7 Rh1 P1 C49 -114.8(3) . . . . ?
C15 Rh1 P1 C49 133.3(2) . . . . ?
C8 Rh1 P1 C49 -44.60(18) . . . . ?
C9 Rh1 P1 C49 -1.26(16) . . . . ?
C14 Rh1 P1 C49 80.96(16) . . . . ?
C10 Rh1 P1 C49 40.16(15) . . . . ?
Sn1 Rh1 P1 C49 -142.67(12) . . . . ?
C7 Rh1 P1 C38 3.8(3) . . . . ?
C15 Rh1 P1 C38 -108.1(2) . . . . ?
C8 Rh1 P1 C38 74.01(16) . . . . ?
C9 Rh1 P1 C38 117.34(14) . . . . ?
C14 Rh1 P1 C38 -160.44(14) . . . . ?
C10 Rh1 P1 C38 158.77(14) . . . . ?
Sn1 Rh1 P1 C38 -24.06(10) . . . . ?
C7 Rh1 P1 C43 122.3(3) . . . . ?
C15 Rh1 P1 C43 10.3(2) . . . . ?
C8 Rh1 P1 C43 -167.51(16) . . . . ?
C9 Rh1 P1 C43 -124.18(14) . . . . ?
C14 Rh1 P1 C43 -41.96(15) . . . . ?
C10 Rh1 P1 C43 -82.75(14) . . . . ?
Sn1 Rh1 P1 C43 94.42(11) . . . . ?
C37 Sn1 C1 C2 -48.1(3) . . . . ?
Cl1 Sn1 C1 C2 67.2(3) . . . . ?
Rh1 Sn1 C1 C2 -168.7(2) . . . . ?
C37 Sn1 C1 C6 136.4(2) . . . . ?
Cl1 Sn1 C1 C6 -108.3(2) . . . . ?
Rh1 Sn1 C1 C6 15.8(2) . . . . ?
C56 Sn2 Rh2 C84 -153.98(11) . . . . ?
C86 Sn2 Rh2 C84 -9.64(11) . . . . ?
Cl2 Sn2 Rh2 C84 94.10(8) . . . . ?
C56 Sn2 Rh2 P2 19.81(8) . . . . ?
C86 Sn2 Rh2 P2 164.15(8) . . . . ?
Cl2 Sn2 Rh2 P2 -92.11(3) . . . . ?
C56 Sn2 Rh2 C70 171.92(11) . . . . ?
C86 Sn2 Rh2 C70 -43.74(11) . . . . ?
Cl2 Sn2 Rh2 C70 60.00(8) . . . . ?
C56 Sn2 Rh2 C80 -121.57(11) . . . . ?
C86 Sn2 Rh2 C80 22.77(11) . . . . ?
Cl2 Sn2 Rh2 C80 126.51(8) . . . . ?
C56 Sn2 Rh2 C79 -112.65(13) . . . . ?
C86 Sn2 Rh2 C79 31.69(13) . . . . ?
Cl2 Sn2 Rh2 C79 135.43(11) . . . . ?
C56 Sn2 Rh2 C74 158.27(13) . . . . ?
C86 Sn2 Rh2 C74 -57.40(13) . . . . ?
Cl2 Sn2 Rh2 C74 46.35(10) . . . . ?
C56 Sn2 Rh2 C75 -165.1(2) . . . . ?
C86 Sn2 Rh2 C75 -20.7(2) . . . . ?
Cl2 Sn2 Rh2 C75 83.0(2) . . . . ?
C84 Rh2 P2 C64 124.9(3) . . . . ?
C70 Rh2 P2 C64 12.5(2) . . . . ?
C80 Rh2 P2 C64 -159.17(16) . . . . ?
C79 Rh2 P2 C64 -116.24(14) . . . . ?
C74 Rh2 P2 C64 -35.24(15) . . . . ?
C75 Rh2 P2 C64 -75.69(14) . . . . ?
Sn2 Rh2 P2 C64 102.29(11) . . . . ?
C84 Rh2 P2 C57 5.3(3) . . . . ?
C70 Rh2 P2 C57 -107.1(2) . . . . ?
C80 Rh2 P2 C57 81.23(16) . . . . ?
C79 Rh2 P2 C57 124.16(14) . . . . ?
C74 Rh2 P2 C57 -154.84(14) . . . . ?
C75 Rh2 P2 C57 164.71(13) . . . . ?
Sn2 Rh2 P2 C57 -17.31(11) . . . . ?
C84 Rh2 P2 C58 -117.0(3) . . . . ?
C70 Rh2 P2 C58 130.7(2) . . . . ?
C80 Rh2 P2 C58 -41.06(17) . . . . ?
C79 Rh2 P2 C58 1.87(15) . . . . ?
C74 Rh2 P2 C58 82.88(15) . . . . ?
C75 Rh2 P2 C58 42.43(15) . . . . ?
Sn2 Rh2 P2 C58 -139.60(12) . . . . ?
C6 C1 C2 C3 3.3(4) . . . . ?
Sn1 C1 C2 C3 -171.8(2) . . . . ?
C6 C1 C2 C22 -169.1(3) . . . . ?
Sn1 C1 C2 C22 15.8(4) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C22 C2 C3 C4 173.3(3) . . . . ?
C2 C3 C4 C5 -3.6(4) . . . . ?
C3 C4 C5 C6 2.0(4) . . . . ?
C4 C5 C6 C1 2.2(4) . . . . ?
C4 C5 C6 C7 -173.8(3) . . . . ?
C2 C1 C6 C5 -4.9(4) . . . . ?
Sn1 C1 C6 C5 171.0(2) . . . . ?
C2 C1 C6 C7 171.1(3) . . . . ?
Sn1 C1 C6 C7 -13.0(3) . . . . ?
C5 C6 C7 C15 -91.6(4) . . . . ?
C1 C6 C7 C15 92.4(4) . . . . ?
C5 C6 C7 C8 88.1(4) . . . . ?
C1 C6 C7 C8 -87.9(3) . . . . ?
C5 C6 C7 Rh1 178.6(2) . . . . ?
C1 C6 C7 Rh1 2.6(4) . . . . ?
P1 Rh1 C7 C15 -137.1(2) . . . . ?
C8 Rh1 C7 C15 128.9(3) . . . . ?
C9 Rh1 C7 C15 99.68(19) . . . . ?
C14 Rh1 C7 C15 30.32(16) . . . . ?
C10 Rh1 C7 C15 64.76(17) . . . . ?
Sn1 Rh1 C7 C15 -109.18(16) . . . . ?
P1 Rh1 C7 C8 93.9(3) . . . . ?
C15 Rh1 C7 C8 -128.9(3) . . . . ?
C9 Rh1 C7 C8 -29.27(18) . . . . ?
C14 Rh1 C7 C8 -98.63(19) . . . . ?
C10 Rh1 C7 C8 -64.19(18) . . . . ?
Sn1 Rh1 C7 C8 121.87(18) . . . . ?
P1 Rh1 C7 C6 -20.5(4) . . . . ?
C15 Rh1 C7 C6 116.6(3) . . . . ?
C8 Rh1 C7 C6 -114.5(3) . . . . ?
C9 Rh1 C7 C6 -143.7(3) . . . . ?
C14 Rh1 C7 C6 146.9(3) . . . . ?
C10 Rh1 C7 C6 -178.6(3) . . . . ?
Sn1 Rh1 C7 C6 7.4(2) . . . . ?
C15 C7 C8 C9 -2.6(4) . . . . ?
C6 C7 C8 C9 177.7(3) . . . . ?
Rh1 C7 C8 C9 56.6(3) . . . . ?
C15 C7 C8 C19 173.9(3) . . . . ?
C6 C7 C8 C19 -5.8(4) . . . . ?
Rh1 C7 C8 C19 -126.9(3) . . . . ?
C15 C7 C8 Rh1 -59.2(2) . . . . ?
C6 C7 C8 Rh1 121.1(3) . . . . ?
C7 Rh1 C8 C9 -129.7(3) . . . . ?
P1 Rh1 C8 C9 80.2(2) . . . . ?
C15 Rh1 C8 C9 -98.7(2) . . . . ?
C14 Rh1 C8 C9 -62.21(18) . . . . ?
C10 Rh1 C8 C9 -27.64(18) . . . . ?
Sn1 Rh1 C8 C9 171.40(17) . . . . ?
P1 Rh1 C8 C7 -150.06(15) . . . . ?
C15 Rh1 C8 C7 30.98(18) . . . . ?
C9 Rh1 C8 C7 129.7(3) . . . . ?
C14 Rh1 C8 C7 67.50(18) . . . . ?
C10 Rh1 C8 C7 102.1(2) . . . . ?
Sn1 Rh1 C8 C7 -58.88(18) . . . . ?
C7 Rh1 C8 C19 112.8(3) . . . . ?
P1 Rh1 C8 C19 -37.3(3) . . . . ?
C15 Rh1 C8 C19 143.8(3) . . . . ?
C9 Rh1 C8 C19 -117.5(3) . . . . ?
C14 Rh1 C8 C19 -179.7(3) . . . . ?
C10 Rh1 C8 C19 -145.1(3) . . . . ?
Sn1 Rh1 C8 C19 53.9(3) . . . . ?
C7 C8 C9 C10 3.4(4) . . . . ?
C19 C8 C9 C10 -173.1(3) . . . . ?
Rh1 C8 C9 C10 57.4(3) . . . . ?
C7 C8 C9 Rh1 -54.0(2) . . . . ?
C19 C8 C9 Rh1 129.5(3) . . . . ?
C7 Rh1 C9 C8 30.86(18) . . . . ?
P1 Rh1 C9 C8 -130.21(16) . . . . ?
C15 Rh1 C9 C8 68.87(19) . . . . ?
C14 Rh1 C9 C8 104.2(2) . . . . ?
C10 Rh1 C9 C8 133.2(3) . . . . ?
Sn1 Rh1 C9 C8 -12.1(2) . . . . ?
C7 Rh1 C9 C10 -102.4(2) . . . . ?
P1 Rh1 C9 C10 96.57(17) . . . . ?
C15 Rh1 C9 C10 -64.36(18) . . . . ?
C8 Rh1 C9 C10 -133.2(3) . . . . ?
C14 Rh1 C9 C10 -28.99(17) . . . . ?
Sn1 Rh1 C9 C10 -145.31(14) . . . . ?
C8 C9 C10 C14 -0.5(4) . . . . ?
Rh1 C9 C10 C14 55.1(2) . . . . ?
C8 C9 C10 C11 172.7(3) . . . . ?
Rh1 C9 C10 C11 -131.6(3) . . . . ?
C8 C9 C10 Rh1 -55.7(3) . . . . ?
C7 Rh1 C10 C14 -65.34(19) . . . . ?
P1 Rh1 C10 C14 122.66(17) . . . . ?
C15 Rh1 C10 C14 -27.68(18) . . . . ?
C8 Rh1 C10 C14 -102.6(2) . . . . ?
C9 Rh1 C10 C14 -130.5(3) . . . . ?
Sn1 Rh1 C10 C14 -50.4(3) . . . . ?
C7 Rh1 C10 C9 65.13(18) . . . . ?
P1 Rh1 C10 C9 -106.87(17) . . . . ?
C15 Rh1 C10 C9 102.80(19) . . . . ?
C8 Rh1 C10 C9 27.85(17) . . . . ?
C14 Rh1 C10 C9 130.5(3) . . . . ?
Sn1 Rh1 C10 C9 80.1(3) . . . . ?
C7 Rh1 C10 C11 176.7(3) . . . . ?
P1 Rh1 C10 C11 4.7(3) . . . . ?
C15 Rh1 C10 C11 -145.6(3) . . . . ?
C8 Rh1 C10 C11 139.5(3) . . . . ?
C9 Rh1 C10 C11 111.6(4) . . . . ?
C14 Rh1 C10 C11 -117.9(4) . . . . ?
Sn1 Rh1 C10 C11 -168.3(2) . . . . ?
C14 C10 C11 C12 -23.7(4) . . . . ?
C9 C10 C11 C12 163.3(3) . . . . ?
Rh1 C10 C11 C12 72.8(4) . . . . ?
C14 C10 C11 C13 99.5(4) . . . . ?
C9 C10 C11 C13 -73.4(4) . . . . ?
Rh1 C10 C11 C13 -163.9(3) . . . . ?
C9 C10 C14 C15 -3.2(4) . . . . ?
C11 C10 C14 C15 -176.3(3) . . . . ?
Rh1 C10 C14 C15 51.1(3) . . . . ?
C9 C10 C14 Rh1 -54.3(2) . . . . ?
C11 C10 C14 Rh1 132.7(3) . . . . ?
C7 Rh1 C14 C10 102.4(2) . . . . ?
P1 Rh1 C14 C10 -83.10(19) . . . . ?
C15 Rh1 C14 C10 134.2(3) . . . . ?
C8 Rh1 C14 C10 64.45(18) . . . . ?
C9 Rh1 C14 C10 29.38(18) . . . . ?
Sn1 Rh1 C14 C10 156.76(15) . . . . ?
C7 Rh1 C14 C15 -31.78(17) . . . . ?
P1 Rh1 C14 C15 142.73(15) . . . . ?
C8 Rh1 C14 C15 -69.73(18) . . . . ?
C9 Rh1 C14 C15 -104.8(2) . . . . ?
C10 Rh1 C14 C15 -134.2(3) . . . . ?
Sn1 Rh1 C14 C15 22.6(2) . . . . ?
C10 C14 C15 C7 4.0(4) . . . . ?
Rh1 C14 C15 C7 57.8(2) . . . . ?
C10 C14 C15 C16 -179.9(3) . . . . ?
Rh1 C14 C15 C16 -126.1(3) . . . . ?
C10 C14 C15 Rh1 -53.8(3) . . . . ?
C8 C7 C15 C14 -1.0(4) . . . . ?
C6 C7 C15 C14 178.7(3) . . . . ?
Rh1 C7 C15 C14 -61.1(3) . . . . ?
C8 C7 C15 C16 -177.0(3) . . . . ?
C6 C7 C15 C16 2.7(4) . . . . ?
Rh1 C7 C15 C16 122.8(3) . . . . ?
C8 C7 C15 Rh1 60.2(2) . . . . ?
C6 C7 C15 Rh1 -120.1(3) . . . . ?
C7 Rh1 C15 C14 128.2(3) . . . . ?
P1 Rh1 C15 C14 -81.1(2) . . . . ?
C8 Rh1 C15 C14 97.43(19) . . . . ?
C9 Rh1 C15 C14 61.67(18) . . . . ?
C10 Rh1 C15 C14 26.74(17) . . . . ?
Sn1 Rh1 C15 C14 -162.28(16) . . . . ?
P1 Rh1 C15 C7 150.74(15) . . . . ?
C8 Rh1 C15 C7 -30.76(16) . . . . ?
C9 Rh1 C15 C7 -66.52(17) . . . . ?
C14 Rh1 C15 C7 -128.2(3) . . . . ?
C10 Rh1 C15 C7 -101.45(18) . . . . ?
Sn1 Rh1 C15 C7 69.53(16) . . . . ?
C7 Rh1 C15 C16 -113.9(3) . . . . ?
P1 Rh1 C15 C16 36.9(4) . . . . ?
C8 Rh1 C15 C16 -144.6(3) . . . . ?
C9 Rh1 C15 C16 179.6(3) . . . . ?
C14 Rh1 C15 C16 118.0(3) . . . . ?
C10 Rh1 C15 C16 144.7(3) . . . . ?
Sn1 Rh1 C15 C16 -44.3(3) . . . . ?
C14 C15 C16 C18 47.5(4) . . . . ?
C7 C15 C16 C18 -136.5(3) . . . . ?
Rh1 C15 C16 C18 -48.9(4) . . . . ?
C14 C15 C16 C17 -77.5(3) . . . . ?
C7 C15 C16 C17 98.5(3) . . . . ?
Rh1 C15 C16 C17 -174.0(2) . . . . ?
C9 C8 C19 C21 -41.9(4) . . . . ?
C7 C8 C19 C21 141.7(3) . . . . ?
Rh1 C8 C19 C21 53.9(4) . . . . ?
C9 C8 C19 C20 81.7(4) . . . . ?
C7 C8 C19 C20 -94.7(3) . . . . ?
Rh1 C8 C19 C20 177.5(2) . . . . ?
C3 C2 C22 C30 85.9(4) . . . . ?
C1 C2 C22 C30 -101.8(3) . . . . ?
C3 C2 C22 C23 -93.8(3) . . . . ?
C1 C2 C22 C23 78.5(4) . . . . ?
C30 C22 C23 C24 0.0(4) . . . . ?
C2 C22 C23 C24 179.7(3) . . . . ?
C30 C22 C23 C34 -177.2(3) . . . . ?
C2 C22 C23 C34 2.5(4) . . . . ?
C22 C23 C24 C25 0.4(5) . . . . ?
C34 C23 C24 C25 177.6(3) . . . . ?
C23 C24 C25 C29 -0.7(5) . . . . ?
C23 C24 C25 C26 178.5(3) . . . . ?
C29 C25 C26 C28 -130.0(3) . . . . ?
C24 C25 C26 C28 50.8(4) . . . . ?
C29 C25 C26 C27 103.9(3) . . . . ?
C24 C25 C26 C27 -75.2(4) . . . . ?
C24 C25 C29 C30 0.6(5) . . . . ?
C26 C25 C29 C30 -178.6(3) . . . . ?
C25 C29 C30 C22 -0.3(5) . . . . ?
C25 C29 C30 C31 -176.6(3) . . . . ?
C23 C22 C30 C29 0.0(4) . . . . ?
C2 C22 C30 C29 -179.7(3) . . . . ?
C23 C22 C30 C31 176.3(3) . . . . ?
C2 C22 C30 C31 -3.4(4) . . . . ?
C29 C30 C31 C32 -36.6(4) . . . . ?
C22 C30 C31 C32 147.2(3) . . . . ?
C29 C30 C31 C33 86.3(3) . . . . ?
C22 C30 C31 C33 -89.9(3) . . . . ?
C24 C23 C34 C36 -71.8(5) . . . . ?
C22 C23 C34 C36 105.4(4) . . . . ?
C24 C23 C34 C35 55.1(5) . . . . ?
C22 C23 C34 C35 -127.7(4) . . . . ?
C1 Sn1 C37 C42 45.0(3) . . . . ?
Cl1 Sn1 C37 C42 -68.0(3) . . . . ?
Rh1 Sn1 C37 C42 163.5(3) . . . . ?
C1 Sn1 C37 C38 -137.5(2) . . . . ?
Cl1 Sn1 C37 C38 109.5(2) . . . . ?
Rh1 Sn1 C37 C38 -18.9(2) . . . . ?
C42 C37 C38 C39 0.7(4) . . . . ?
Sn1 C37 C38 C39 -177.1(2) . . . . ?
C42 C37 C38 P1 179.8(2) . . . . ?
Sn1 C37 C38 P1 2.0(3) . . . . ?
C49 P1 C38 C39 -32.5(3) . . . . ?
C43 P1 C38 C39 71.8(3) . . . . ?
Rh1 P1 C38 C39 -161.9(2) . . . . ?
C49 P1 C38 C37 148.4(2) . . . . ?
C43 P1 C38 C37 -107.3(2) . . . . ?
Rh1 P1 C38 C37 19.1(3) . . . . ?
C37 C38 C39 C40 -1.8(4) . . . . ?
P1 C38 C39 C40 179.1(2) . . . . ?
C38 C39 C40 C41 1.1(5) . . . . ?
C39 C40 C41 C42 0.8(5) . . . . ?
C38 C37 C42 C41 1.2(5) . . . . ?
Sn1 C37 C42 C41 178.6(2) . . . . ?
C40 C41 C42 C37 -1.9(5) . . . . ?
C49 P1 C43 C44 -92.1(2) . . . . ?
C38 P1 C43 C44 165.8(2) . . . . ?
Rh1 P1 C43 C44 39.6(2) . . . . ?
C49 P1 C43 C48 146.4(2) . . . . ?
C38 P1 C43 C48 44.3(2) . . . . ?
Rh1 P1 C43 C48 -81.9(2) . . . . ?
C48 C43 C44 C45 -54.9(3) . . . . ?
P1 C43 C44 C45 -178.3(2) . . . . ?
C43 C44 C45 C46 56.9(4) . . . . ?
C44 C45 C46 C47 -56.3(4) . . . . ?
C45 C46 C47 C48 56.7(4) . . . . ?
C46 C47 C48 C43 -57.3(4) . . . . ?
C44 C43 C48 C47 54.9(3) . . . . ?
P1 C43 C48 C47 178.1(2) . . . . ?
C38 P1 C49 C50 -66.7(2) . . . . ?
C43 P1 C49 C50 -170.4(2) . . . . ?
Rh1 P1 C49 C50 60.1(3) . . . . ?
C38 P1 C49 C54 168.2(2) . . . . ?
C43 P1 C49 C54 64.5(3) . . . . ?
Rh1 P1 C49 C54 -65.0(3) . . . . ?
C54 C49 C50 C51 -58.1(4) . . . . ?
P1 C49 C50 C51 174.6(2) . . . . ?
C49 C50 C51 C52 57.3(4) . . . . ?
C50 C51 C52 C53 -55.0(4) . . . . ?
C51 C52 C53 C54 54.4(4) . . . . ?
C50 C49 C54 C53 56.5(3) . . . . ?
P1 C49 C54 C53 -178.4(2) . . . . ?
C52 C53 C54 C49 -54.8(4) . . . . ?
C86 Sn2 C56 C110 44.2(3) . . . . ?
Cl2 Sn2 C56 C110 -68.6(3) . . . . ?
Rh2 Sn2 C56 C110 166.7(2) . . . . ?
C86 Sn2 C56 C57 -144.67(19) . . . . ?
Cl2 Sn2 C56 C57 102.5(2) . . . . ?
Rh2 Sn2 C56 C57 -22.1(2) . . . . ?
C110 C56 C57 C107 4.0(4) . . . . ?
Sn2 C56 C57 C107 -167.9(2) . . . . ?
C110 C56 C57 P2 -177.2(2) . . . . ?
Sn2 C56 C57 P2 10.9(3) . . . . ?
C64 P2 C57 C56 -119.2(2) . . . . ?
C58 P2 C57 C56 133.6(2) . . . . ?
Rh2 P2 C57 C56 7.1(3) . . . . ?
C64 P2 C57 C107 59.6(3) . . . . ?
C58 P2 C57 C107 -47.6(3) . . . . ?
Rh2 P2 C57 C107 -174.1(2) . . . . ?
C64 P2 C58 C63 -178.4(2) . . . . ?
C57 P2 C58 C63 -71.7(2) . . . . ?
Rh2 P2 C58 C63 56.7(2) . . . . ?
C64 P2 C58 C59 -48.0(3) . . . . ?
C57 P2 C58 C59 58.6(3) . . . . ?
Rh2 P2 C58 C59 -172.9(2) . . . . ?
C63 C58 C59 C60 -57.9(4) . . . . ?
P2 C58 C59 C60 171.2(2) . . . . ?
C58 C59 C60 C61 58.7(4) . . . . ?
C59 C60 C61 C62 -57.1(4) . . . . ?
C60 C61 C62 C63 55.4(4) . . . . ?
C59 C58 C63 C62 55.9(4) . . . . ?
P2 C58 C63 C62 -168.0(2) . . . . ?
C61 C62 C63 C58 -55.0(4) . . . . ?
C57 P2 C64 C69 59.3(2) . . . . ?
C58 P2 C64 C69 168.1(2) . . . . ?
Rh2 P2 C64 C69 -68.0(2) . . . . ?
C57 P2 C64 C65 -179.1(2) . . . . ?
C58 P2 C64 C65 -70.3(2) . . . . ?
Rh2 P2 C64 C65 53.5(2) . . . . ?
C69 C64 C65 C66 -55.1(4) . . . . ?
P2 C64 C65 C66 -176.5(2) . . . . ?
C64 C65 C66 C67 56.9(4) . . . . ?
C65 C66 C67 C68 -56.6(4) . . . . ?
C66 C67 C68 C69 55.5(4) . . . . ?
C67 C68 C69 C64 -54.5(4) . . . . ?
C65 C64 C69 C68 53.7(4) . . . . ?
P2 C64 C69 C68 175.1(2) . . . . ?
C84 Rh2 C70 C74 130.2(3) . . . . ?
P2 Rh2 C70 C74 -75.3(2) . . . . ?
C80 Rh2 C70 C74 99.08(19) . . . . ?
C79 Rh2 C70 C74 62.77(18) . . . . ?
C75 Rh2 C70 C74 27.41(17) . . . . ?
Sn2 Rh2 C70 C74 -161.70(16) . . . . ?
P2 Rh2 C70 C84 154.45(15) . . . . ?
C80 Rh2 C70 C84 -31.16(17) . . . . ?
C79 Rh2 C70 C84 -67.47(17) . . . . ?
C74 Rh2 C70 C84 -130.2(3) . . . . ?
C75 Rh2 C70 C84 -102.83(19) . . . . ?
Sn2 Rh2 C70 C84 68.06(16) . . . . ?
C84 Rh2 C70 C71 -113.7(4) . . . . ?
P2 Rh2 C70 C71 40.7(4) . . . . ?
C80 Rh2 C70 C71 -144.9(3) . . . . ?
C79 Rh2 C70 C71 178.8(3) . . . . ?
C74 Rh2 C70 C71 116.1(4) . . . . ?
C75 Rh2 C70 C71 143.5(3) . . . . ?
Sn2 Rh2 C70 C71 -45.7(3) . . . . ?
C74 C70 C71 C73 -75.5(4) . . . . ?
C84 C70 C71 C73 99.7(3) . . . . ?
Rh2 C70 C71 C73 -171.1(2) . . . . ?
C74 C70 C71 C72 49.1(4) . . . . ?
C84 C70 C71 C72 -135.7(3) . . . . ?
Rh2 C70 C71 C72 -46.5(4) . . . . ?
C84 C70 C74 C75 1.4(4) . . . . ?
C71 C70 C74 C75 176.6(3) . . . . ?
Rh2 C70 C74 C75 -54.1(3) . . . . ?
C84 C70 C74 Rh2 55.5(2) . . . . ?
C71 C70 C74 Rh2 -129.3(3) . . . . ?
C84 Rh2 C74 C70 -30.39(17) . . . . ?
P2 Rh2 C74 C70 143.58(15) . . . . ?
C80 Rh2 C74 C70 -68.49(18) . . . . ?
C79 Rh2 C74 C70 -104.0(2) . . . . ?
C75 Rh2 C74 C70 -133.9(3) . . . . ?
Sn2 Rh2 C74 C70 23.9(2) . . . . ?
C84 Rh2 C74 C75 103.5(2) . . . . ?
P2 Rh2 C74 C75 -82.55(19) . . . . ?
C70 Rh2 C74 C75 133.9(3) . . . . ?
C80 Rh2 C74 C75 65.37(18) . . . . ?
C79 Rh2 C74 C75 29.91(17) . . . . ?
Sn2 Rh2 C74 C75 157.74(14) . . . . ?
C70 C74 C75 C79 -3.9(4) . . . . ?
Rh2 C74 C75 C79 -56.3(2) . . . . ?
C70 C74 C75 C76 -179.1(3) . . . . ?
Rh2 C74 C75 C76 128.5(3) . . . . ?
C70 C74 C75 Rh2 52.4(3) . . . . ?
C84 Rh2 C75 C79 64.81(18) . . . . ?
P2 Rh2 C75 C79 -109.41(16) . . . . ?
C70 Rh2 C75 C79 101.67(19) . . . . ?
C80 Rh2 C75 C79 27.41(17) . . . . ?
C74 Rh2 C75 C79 129.4(3) . . . . ?
Sn2 Rh2 C75 C79 76.1(3) . . . . ?
C84 Rh2 C75 C74 -64.54(18) . . . . ?
P2 Rh2 C75 C74 121.24(16) . . . . ?
C70 Rh2 C75 C74 -27.68(18) . . . . ?
C80 Rh2 C75 C74 -101.9(2) . . . . ?
C79 Rh2 C75 C74 -129.4(3) . . . . ?
Sn2 Rh2 C75 C74 -53.3(3) . . . . ?
C84 Rh2 C75 C76 -177.0(3) . . . . ?
P2 Rh2 C75 C76 8.8(3) . . . . ?
C70 Rh2 C75 C76 -140.1(3) . . . . ?
C80 Rh2 C75 C76 145.6(3) . . . . ?
C79 Rh2 C75 C76 118.2(4) . . . . ?
C74 Rh2 C75 C76 -112.4(4) . . . . ?
Sn2 Rh2 C75 C76 -165.67(18) . . . . ?
C79 C75 C76 C77 -103.6(3) . . . . ?
C74 C75 C76 C77 71.3(4) . . . . ?
Rh2 C75 C76 C77 161.8(2) . . . . ?
C79 C75 C76 C78 19.3(4) . . . . ?
C74 C75 C76 C78 -165.7(3) . . . . ?
Rh2 C75 C76 C78 -75.3(4) . . . . ?
C74 C75 C79 C80 2.7(4) . . . . ?
C76 C75 C79 C80 177.7(3) . . . . ?
Rh2 C75 C79 C80 -53.6(3) . . . . ?
C74 C75 C79 Rh2 56.3(2) . . . . ?
C76 C75 C79 Rh2 -128.8(3) . . . . ?
C84 Rh2 C79 C75 -103.3(2) . . . . ?
P2 Rh2 C79 C75 92.33(17) . . . . ?
C70 Rh2 C79 C75 -65.68(18) . . . . ?
C80 Rh2 C79 C75 -134.4(3) . . . . ?
C74 Rh2 C79 C75 -30.10(17) . . . . ?
Sn2 Rh2 C79 C75 -149.63(14) . . . . ?
C84 Rh2 C79 C80 31.06(18) . . . . ?
P2 Rh2 C79 C80 -133.27(15) . . . . ?
C70 Rh2 C79 C80 68.73(18) . . . . ?
C74 Rh2 C79 C80 104.31(19) . . . . ?
C75 Rh2 C79 C80 134.4(3) . . . . ?
Sn2 Rh2 C79 C80 -15.2(2) . . . . ?
C75 C79 C80 C84 0.9(4) . . . . ?
Rh2 C79 C80 C84 -53.7(2) . . . . ?
C75 C79 C80 C81 -175.6(3) . . . . ?
Rh2 C79 C80 C81 129.8(3) . . . . ?
C75 C79 C80 Rh2 54.6(3) . . . . ?
C84 Rh2 C80 C79 -129.5(3) . . . . ?
P2 Rh2 C80 C79 77.0(2) . . . . ?
C70 Rh2 C80 C79 -98.8(2) . . . . ?
C74 Rh2 C80 C79 -62.51(18) . . . . ?
C75 Rh2 C80 C79 -27.00(17) . . . . ?
Sn2 Rh2 C80 C79 169.20(16) . . . . ?
P2 Rh2 C80 C84 -153.43(14) . . . . ?
C70 Rh2 C80 C84 30.77(17) . . . . ?
C79 Rh2 C80 C84 129.5(3) . . . . ?
C74 Rh2 C80 C84 67.04(18) . . . . ?
C75 Rh2 C80 C84 102.55(19) . . . . ?
Sn2 Rh2 C80 C84 -61.25(17) . . . . ?
C84 Rh2 C80 C81 113.4(3) . . . . ?
P2 Rh2 C80 C81 -40.0(3) . . . . ?
C70 Rh2 C80 C81 144.2(3) . . . . ?
C79 Rh2 C80 C81 -117.1(3) . . . . ?
C74 Rh2 C80 C81 -179.6(3) . . . . ?
C75 Rh2 C80 C81 -144.1(3) . . . . ?
Sn2 Rh2 C80 C81 52.1(3) . . . . ?
C79 C80 C81 C83 -46.2(4) . . . . ?
C84 C80 C81 C83 137.4(3) . . . . ?
Rh2 C80 C81 C83 49.4(4) . . . . ?
C79 C80 C81 C82 78.3(4) . . . . ?
C84 C80 C81 C82 -98.1(3) . . . . ?
Rh2 C80 C81 C82 173.8(2) . . . . ?
C74 C70 C84 C80 2.4(4) . . . . ?
C71 C70 C84 C80 -172.7(3) . . . . ?
Rh2 C70 C84 C80 60.5(2) . . . . ?
C74 C70 C84 C85 -177.8(3) . . . . ?
C71 C70 C84 C85 7.1(4) . . . . ?
Rh2 C70 C84 C85 -119.7(3) . . . . ?
C74 C70 C84 Rh2 -58.0(3) . . . . ?
C71 C70 C84 Rh2 126.8(3) . . . . ?
C79 C80 C84 C70 -3.5(4) . . . . ?
C81 C80 C84 C70 173.0(3) . . . . ?
Rh2 C80 C84 C70 -59.9(2) . . . . ?
C79 C80 C84 C85 176.7(3) . . . . ?
C81 C80 C84 C85 -6.8(4) . . . . ?
Rh2 C80 C84 C85 120.3(3) . . . . ?
C79 C80 C84 Rh2 56.4(2) . . . . ?
C81 C80 C84 Rh2 -127.1(3) . . . . ?
P2 Rh2 C84 C70 -134.1(3) . . . . ?
C80 Rh2 C84 C70 128.8(3) . . . . ?
C79 Rh2 C84 C70 99.22(19) . . . . ?
C74 Rh2 C84 C70 29.33(16) . . . . ?
C75 Rh2 C84 C70 64.38(18) . . . . ?
Sn2 Rh2 C84 C70 -111.49(16) . . . . ?
P2 Rh2 C84 C80 97.1(3) . . . . ?
C70 Rh2 C84 C80 -128.8(3) . . . . ?
C79 Rh2 C84 C80 -29.58(17) . . . . ?
C74 Rh2 C84 C80 -99.47(19) . . . . ?
C75 Rh2 C84 C80 -64.43(18) . . . . ?
Sn2 Rh2 C84 C80 119.70(17) . . . . ?
P2 Rh2 C84 C85 -16.4(5) . . . . ?
C70 Rh2 C84 C85 117.8(3) . . . . ?
C80 Rh2 C84 C85 -113.4(3) . . . . ?
C79 Rh2 C84 C85 -143.0(3) . . . . ?
C74 Rh2 C84 C85 147.1(3) . . . . ?
C75 Rh2 C84 C85 -177.9(3) . . . . ?
Sn2 Rh2 C84 C85 6.3(2) . . . . ?
C70 C84 C85 C90 -89.4(4) . . . . ?
C80 C84 C85 C90 90.4(3) . . . . ?
Rh2 C84 C85 C90 179.9(2) . . . . ?
C70 C84 C85 C86 94.5(4) . . . . ?
C80 C84 C85 C86 -85.7(4) . . . . ?
Rh2 C84 C85 C86 3.8(4) . . . . ?
C90 C85 C86 C87 -4.5(4) . . . . ?
C84 C85 C86 C87 171.6(3) . . . . ?
C90 C85 C86 Sn2 170.6(2) . . . . ?
C84 C85 C86 Sn2 -13.2(3) . . . . ?
C56 Sn2 C86 C87 -45.6(3) . . . . ?
Cl2 Sn2 C86 C87 68.5(3) . . . . ?
Rh2 Sn2 C86 C87 -170.0(2) . . . . ?
C56 Sn2 C86 C85 139.6(2) . . . . ?
Cl2 Sn2 C86 C85 -106.3(2) . . . . ?
Rh2 Sn2 C86 C85 15.2(2) . . . . ?
C85 C86 C87 C88 4.0(4) . . . . ?
Sn2 C86 C87 C88 -170.4(2) . . . . ?
C85 C86 C87 C91 -169.3(3) . . . . ?
Sn2 C86 C87 C91 16.3(4) . . . . ?
C86 C87 C88 C89 -0.5(4) . . . . ?
C91 C87 C88 C89 172.6(3) . . . . ?
C87 C88 C89 C90 -2.3(5) . . . . ?
C86 C85 C90 C89 1.6(4) . . . . ?
C84 C85 C90 C89 -174.5(3) . . . . ?
C88 C89 C90 C85 1.8(5) . . . . ?
C88 C87 C91 C93 -97.9(3) . . . . ?
C86 C87 C91 C93 75.2(4) . . . . ?
C88 C87 C91 C103 82.1(4) . . . . ?
C86 C87 C91 C103 -104.9(3) . . . . ?
C103 C91 C93 C97 1.3(4) . . . . ?
C87 C91 C93 C97 -178.8(3) . . . . ?
C103 C91 C93 C94 -174.4(3) . . . . ?
C87 C91 C93 C94 5.5(4) . . . . ?
C97 C93 C94 C95 42.0(4) . . . . ?
C91 C93 C94 C95 -142.3(3) . . . . ?
C97 C93 C94 C96 -83.1(4) . . . . ?
C91 C93 C94 C96 92.6(4) . . . . ?
C91 C93 C97 C98 1.1(5) . . . . ?
C94 C93 C97 C98 176.9(3) . . . . ?
C93 C97 C98 C102 -1.9(5) . . . . ?
C93 C97 C98 C99 176.2(3) . . . . ?
C97 C98 C99 C101 127.9(3) . . . . ?
C102 C98 C99 C101 -54.1(4) . . . . ?
C97 C98 C99 C100 -107.6(3) . . . . ?
C102 C98 C99 C100 70.4(4) . . . . ?
C97 C98 C102 C103 0.3(5) . . . . ?
C99 C98 C102 C103 -177.7(3) . . . . ?
C98 C102 C103 C91 2.0(5) . . . . ?
C98 C102 C103 C104 -174.5(3) . . . . ?
C93 C91 C103 C102 -2.7(4) . . . . ?
C87 C91 C103 C102 177.4(3) . . . . ?
C93 C91 C103 C104 173.7(3) . . . . ?
C87 C91 C103 C104 -6.2(4) . . . . ?
C102 C103 C104 C106 82.2(4) . . . . ?
C91 C103 C104 C106 -94.1(3) . . . . ?
C102 C103 C104 C105 -40.7(4) . . . . ?
C91 C103 C104 C105 143.0(3) . . . . ?
C56 C57 C107 C108 -5.1(4) . . . . ?
P2 C57 C107 C108 176.1(2) . . . . ?
C57 C107 C108 C109 2.2(5) . . . . ?
C107 C108 C109 C110 2.0(5) . . . . ?
C108 C109 C110 C56 -3.1(5) . . . . ?
C57 C56 C110 C109 0.0(4) . . . . ?
Sn2 C56 C110 C109 170.3(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.090
####################################################################### 
# 
# 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_kk106_0m
_database_code_depnum_ccdc_archive 'CCDC 1575452'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H96.68 Cl Ir O P Sn'
_chemical_formula_weight         1283.42

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'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '

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

_cell_length_a                   14.6015(3)
_cell_length_b                   24.6948(6)
_cell_length_c                   17.6646(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.0670(10)
_cell_angle_gamma                90.00
_cell_volume                     5982.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9843
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.369
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.068
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2639
_exptl_absorpt_coefficient_mu    2.751
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4529
_exptl_absorpt_correction_T_max  0.8907
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56658
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         28.32
_reflns_number_total             14729
_reflns_number_gt                11801
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0257P)²+11.5300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14729
_refine_ls_number_parameters     689
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0318
_refine_ls_wR_factor_ref         0.0710
_refine_ls_wR_factor_gt          0.0638
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.031
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.267726(9) 0.177953(5) 0.237413(7) 0.01851(4) Uani 1 1 d . . .
C1 C 0.5067(2) 0.23654(13) 0.27660(19) 0.0214(7) Uani 1 1 d . . .
O1 O 0.0472(3) 0.05124(16) 0.4221(2) 0.0664(10) Uani 1 1 d . . .
Sn1 Sn 0.444995(16) 0.156518(9) 0.241184(12) 0.01638(5) Uani 1 1 d . . .
Cl1 Cl 0.44984(7) 0.16132(3) 0.10519(5) 0.02482(18) Uani 1 1 d . . .
P1 P 0.34417(6) 0.24600(3) 0.32737(5) 0.01941(17) Uani 1 1 d . . .
C2 C 0.4594(2) 0.26930(14) 0.3168(2) 0.0244(7) Uani 1 1 d . . .
C3 C 0.4959(3) 0.32074(15) 0.3433(2) 0.0323(9) Uani 1 1 d . . .
H3 H 0.4674 0.3416 0.3747 0.039 Uiso 1 1 calc R . .
C4 C 0.5734(3) 0.34177(16) 0.3243(3) 0.0384(10) Uani 1 1 d . . .
H4 H 0.5970 0.3771 0.3417 0.046 Uiso 1 1 calc R . .
C5 C 0.6161(3) 0.31110(14) 0.2799(2) 0.0319(9) Uani 1 1 d . . .
H5 H 0.6670 0.3260 0.2645 0.038 Uiso 1 1 calc R . .
C6 C 0.5847(3) 0.25890(14) 0.2579(2) 0.0246(7) Uani 1 1 d . . .
H6 H 0.6165 0.2376 0.2296 0.029 Uiso 1 1 calc R . .
C7 C 0.5476(2) 0.08884(13) 0.29145(17) 0.0161(6) Uani 1 1 d . . .
C8 C 0.6502(2) 0.09499(13) 0.32180(18) 0.0198(7) Uani 1 1 d . . .
C9 C 0.7092(2) 0.05176(14) 0.36085(19) 0.0219(7) Uani 1 1 d . . .
H9 H 0.7779 0.0565 0.3810 0.026 Uiso 1 1 calc R . .
C10 C 0.6707(2) 0.00237(14) 0.37112(19) 0.0234(7) Uani 1 1 d . . .
H10 H 0.7118 -0.0260 0.4002 0.028 Uiso 1 1 calc R . .
C11 C 0.5712(2) -0.00487(13) 0.33820(18) 0.0202(7) Uani 1 1 d . . .
H11 H 0.5440 -0.0390 0.3433 0.024 Uiso 1 1 calc R . .
C12 C 0.5093(2) 0.03707(13) 0.29736(17) 0.0164(6) Uani 1 1 d . . .
C13 C 0.7065(2) 0.14393(13) 0.3123(2) 0.0223(7) Uani 1 1 d . A .
C14 C 0.7451(3) 0.18048(15) 0.3767(2) 0.0284(8) Uani 1 1 d . . .
C15 C 0.8085(3) 0.22052(16) 0.3705(3) 0.0365(9) Uani 1 1 d . A .
H15 H 0.8346 0.2449 0.4143 0.044 Uiso 1 1 calc R . .
C16 C 0.8352(3) 0.22646(16) 0.3034(3) 0.0386(10) Uani 1 1 d . . .
C17 C 0.7969(3) 0.19088(15) 0.2400(2) 0.0324(9) Uani 1 1 d . A .
H17 H 0.8146 0.1947 0.1933 0.039 Uiso 1 1 calc R . .
C18 C 0.7328(2) 0.14933(14) 0.2426(2) 0.0242(7) Uani 1 1 d . . .
C19 C 0.4063(2) 0.01802(12) 0.25331(17) 0.0162(6) Uani 1 1 d . . .
C20 C 0.3452(2) 0.00163(12) 0.29540(18) 0.0166(6) Uani 1 1 d . . .
C24 C 0.3796(2) 0.00624(13) 0.17015(18) 0.0183(6) Uani 1 1 d . . .
C23 C 0.2936(3) -0.02171(13) 0.13224(19) 0.0235(7) Uani 1 1 d . B .
H23 H 0.2745 -0.0282 0.0759 0.028 Uiso 1 1 calc R . .
C22 C 0.2343(3) -0.04054(14) 0.1736(2) 0.0241(7) Uani 1 1 d . . .
C21 C 0.2615(2) -0.02781(14) 0.2551(2) 0.0229(7) Uani 1 1 d . B .
H21 H 0.2213 -0.0397 0.2842 0.027 Uiso 1 1 calc R . .
C34 C 0.4479(3) 0.01960(14) 0.12434(18) 0.0235(7) Uani 1 1 d . . .
H34 H 0.4852 0.0528 0.1496 0.028 Uiso 1 1 calc R . .
C33 C 0.6770(3) 0.13643(17) 0.0893(2) 0.0368(9) Uani 1 1 d . . .
H33A H 0.6421 0.1108 0.0469 0.055 Uiso 1 1 calc R A .
H33B H 0.7386 0.1468 0.0826 0.055 Uiso 1 1 calc R . .
H33C H 0.6368 0.1688 0.0857 0.055 Uiso 1 1 calc R . .
C32 C 0.7733(3) 0.06447(16) 0.1834(2) 0.0372(9) Uani 1 1 d . . .
H32A H 0.7501 0.0390 0.1383 0.056 Uiso 1 1 calc R A .
H32B H 0.7824 0.0453 0.2341 0.056 Uiso 1 1 calc R . .
H32C H 0.8355 0.0801 0.1849 0.056 Uiso 1 1 calc R . .
C31 C 0.6983(3) 0.10961(14) 0.1725(2) 0.0270(8) Uani 1 1 d . A .
H31 H 0.6364 0.0927 0.1734 0.032 Uiso 1 1 calc R . .
C27 C 0.7047(3) 0.23125(18) 0.4877(3) 0.0453(11) Uani 1 1 d . . .
H27A H 0.7669 0.2508 0.5068 0.068 Uiso 1 1 calc R . .
H27B H 0.6810 0.2257 0.5327 0.068 Uiso 1 1 calc R . .
H27C H 0.6569 0.2525 0.4455 0.068 Uiso 1 1 calc R . .
C26 C 0.7973(3) 0.14420(18) 0.5184(2) 0.0417(10) Uani 1 1 d . . .
H26A H 0.8032 0.1079 0.4982 0.063 Uiso 1 1 calc R . .
H26B H 0.7786 0.1413 0.5665 0.063 Uiso 1 1 calc R . .
H26C H 0.8600 0.1630 0.5322 0.063 Uiso 1 1 calc R . .
C25 C 0.7195(3) 0.17606(16) 0.4534(2) 0.0334(9) Uani 1 1 d . . .
H25 H 0.6568 0.1556 0.4397 0.040 Uiso 1 1 calc R . .
C36 C 0.3944(3) 0.03244(16) 0.0356(2) 0.0354(9) Uani 1 1 d . . .
H36A H 0.4394 0.0500 0.0129 0.053 Uiso 1 1 calc R . .
H36B H 0.3397 0.0568 0.0307 0.053 Uiso 1 1 calc R . .
H36C H 0.3698 -0.0012 0.0062 0.053 Uiso 1 1 calc R . .
C35 C 0.5219(3) -0.02583(15) 0.1337(2) 0.0312(8) Uani 1 1 d . . .
H35A H 0.4891 -0.0575 0.1027 0.047 Uiso 1 1 calc R . .
H35B H 0.5509 -0.0356 0.1908 0.047 Uiso 1 1 calc R . .
H35C H 0.5732 -0.0135 0.1137 0.047 Uiso 1 1 calc R . .
C37 C 0.3685(2) 0.01590(14) 0.38394(18) 0.0212(7) Uani 1 1 d . . .
H37 H 0.4302 0.0375 0.4017 0.025 Uiso 1 1 calc R . .
C38 C 0.3854(3) -0.03484(16) 0.4366(2) 0.0322(9) Uani 1 1 d . . .
H38A H 0.3267 -0.0575 0.4190 0.048 Uiso 1 1 calc R . .
H38B H 0.3998 -0.0243 0.4930 0.048 Uiso 1 1 calc R . .
H38C H 0.4405 -0.0553 0.4315 0.048 Uiso 1 1 calc R . .
C39 C 0.2876(3) 0.05145(16) 0.3945(2) 0.0312(8) Uani 1 1 d . . .
H39A H 0.2806 0.0843 0.3619 0.047 Uiso 1 1 calc R . .
H39B H 0.3046 0.0614 0.4514 0.047 Uiso 1 1 calc R . .
H39C H 0.2260 0.0314 0.3769 0.047 Uiso 1 1 calc R . .
C63 C -0.0124(5) 0.0081(3) 0.3825(4) 0.0816(18) Uani 1 1 d . . .
H63A H -0.0625 0.0214 0.3325 0.098 Uiso 1 1 calc R . .
H63B H -0.0461 -0.0072 0.4176 0.098 Uiso 1 1 calc R . .
C62 C 0.4587(3) 0.18604(15) 0.4622(2) 0.0285(8) Uani 1 1 d . . .
H62A H 0.5149 0.1976 0.4469 0.034 Uiso 1 1 calc R . .
H62B H 0.4343 0.1511 0.4353 0.034 Uiso 1 1 calc R . .
C61 C 0.4909(3) 0.17897(16) 0.5538(2) 0.0359(9) Uani 1 1 d . . .
H61A H 0.5430 0.1513 0.5711 0.043 Uiso 1 1 calc R . .
H61B H 0.5181 0.2136 0.5804 0.043 Uiso 1 1 calc R . .
C60 C 0.4065(3) 0.16183(17) 0.5802(2) 0.0386(10) Uani 1 1 d . . .
H60A H 0.4288 0.1602 0.6398 0.046 Uiso 1 1 calc R . .
H60B H 0.3846 0.1251 0.5592 0.046 Uiso 1 1 calc R . .
C59 C 0.3213(3) 0.20113(17) 0.5498(2) 0.0352(9) Uani 1 1 d . . .
H59A H 0.3401 0.2362 0.5780 0.042 Uiso 1 1 calc R . .
H59B H 0.2652 0.1867 0.5627 0.042 Uiso 1 1 calc R . .
C58 C 0.2907(3) 0.21036(15) 0.4588(2) 0.0271(8) Uani 1 1 d . . .
H58A H 0.2391 0.2384 0.4423 0.033 Uiso 1 1 calc R . .
H58B H 0.2635 0.1764 0.4301 0.033 Uiso 1 1 calc R . .
C57 C 0.3782(2) 0.22858(14) 0.43521(19) 0.0233(7) Uani 1 1 d . . .
H57 H 0.4045 0.2623 0.4664 0.028 Uiso 1 1 calc R . .
C56 C 0.2633(3) 0.34035(15) 0.2401(2) 0.0271(8) Uani 1 1 d . . .
H56A H 0.3264 0.3589 0.2495 0.033 Uiso 1 1 calc R . .
H56B H 0.2518 0.3153 0.1939 0.033 Uiso 1 1 calc R . .
C55 C 0.1815(3) 0.38213(16) 0.2205(2) 0.0350(9) Uani 1 1 d . . .
H55A H 0.1815 0.4039 0.1734 0.042 Uiso 1 1 calc R . .
H55B H 0.1180 0.3633 0.2060 0.042 Uiso 1 1 calc R . .
C54 C 0.1935(3) 0.41950(16) 0.2916(3) 0.0384(10) Uani 1 1 d . . .
H54A H 0.2533 0.4415 0.3020 0.046 Uiso 1 1 calc R . .
H54B H 0.1372 0.4445 0.2782 0.046 Uiso 1 1 calc R . .
C53 C 0.2004(3) 0.38811(15) 0.3669(2) 0.0320(8) Uani 1 1 d . . .
H53A H 0.1378 0.3693 0.3585 0.038 Uiso 1 1 calc R . .
H53B H 0.2116 0.4136 0.4124 0.038 Uiso 1 1 calc R . .
C52 C 0.2830(3) 0.34651(15) 0.3882(2) 0.0290(8) Uani 1 1 d . . .
H52A H 0.2838 0.3255 0.4361 0.035 Uiso 1 1 calc R . .
H52B H 0.3464 0.3653 0.4011 0.035 Uiso 1 1 calc R . .
C51 C 0.2676(2) 0.30796(13) 0.31594(19) 0.0217(7) Uani 1 1 d . . .
H51 H 0.1998 0.2938 0.3035 0.026 Uiso 1 1 calc R . .
C50 C 0.1347(3) 0.17133(16) 0.0618(2) 0.0346(9) Uani 1 1 d . . .
H50A H 0.0924 0.1487 0.0171 0.041 Uiso 1 1 calc R . .
H50B H 0.1688 0.1977 0.0386 0.041 Uiso 1 1 calc R . .
C49 C 0.0705(3) 0.20234(16) 0.1005(2) 0.0330(8) Uani 1 1 d . . .
H49A H 0.0432 0.2349 0.0679 0.040 Uiso 1 1 calc R . .
H49B H 0.0155 0.1790 0.1007 0.040 Uiso 1 1 calc R . .
C48 C 0.1279(2) 0.21926(15) 0.1857(2) 0.0266(8) Uani 1 1 d . . .
H48 H 0.1316 0.2594 0.1941 0.032 Uiso 1 1 calc R . .
C47 C 0.1284(3) 0.18940(15) 0.2543(2) 0.0272(8) Uani 1 1 d . . .
H47 H 0.1320 0.2123 0.3019 0.033 Uiso 1 1 calc R . .
C46 C 0.0777(3) 0.13684(16) 0.2510(2) 0.0323(8) Uani 1 1 d . . .
H46A H 0.0068 0.1437 0.2359 0.039 Uiso 1 1 calc R . .
H46B H 0.1005 0.1204 0.3054 0.039 Uiso 1 1 calc R . .
C45 C 0.0941(3) 0.09647(15) 0.1912(2) 0.0314(8) Uani 1 1 d . . .
H45A H 0.0907 0.0592 0.2108 0.038 Uiso 1 1 calc R . .
H45B H 0.0412 0.1005 0.1385 0.038 Uiso 1 1 calc R . .
C44 C 0.1920(3) 0.10412(14) 0.1794(2) 0.0259(8) Uani 1 1 d . . .
H44 H 0.2342 0.0711 0.1934 0.031 Uiso 1 1 calc R . .
C43 C 0.2088(3) 0.13572(15) 0.1206(2) 0.0284(8) Uani 1 1 d . . .
H43 H 0.2597 0.1210 0.1001 0.034 Uiso 1 1 calc R . .
C64 C 0.0472(4) -0.0351(3) 0.3621(4) 0.0808(18) Uani 1 1 d . . .
H64A H 0.0071 -0.0676 0.3435 0.121 Uiso 1 1 calc R . .
H64B H 0.1033 -0.0439 0.4100 0.121 Uiso 1 1 calc R . .
H64C H 0.0702 -0.0221 0.3193 0.121 Uiso 1 1 calc R . .
C65 C -0.0039(4) 0.0948(3) 0.4366(4) 0.0744(17) Uani 1 1 d . . .
H65A H -0.0461 0.0825 0.4668 0.089 Uiso 1 1 calc R . .
H65B H -0.0461 0.1105 0.3848 0.089 Uiso 1 1 calc R . .
C66 C 0.0645(5) 0.1362(3) 0.4836(4) 0.088(2) Uani 1 1 d . . .
H66A H 0.1017 0.1508 0.4515 0.133 Uiso 1 1 calc R . .
H66B H 0.1093 0.1199 0.5330 0.133 Uiso 1 1 calc R . .
H66C H 0.0279 0.1655 0.4977 0.133 Uiso 1 1 calc R . .
C76 C 0.9004(5) 0.2748(3) 0.3076(6) 0.0394(19) Uani 0.677(14) 1 d PU A 1
H76 H 0.8722 0.3073 0.3254 0.047 Uiso 0.677(14) 1 calc PR A 1
C77 C 0.9078(6) 0.2861(4) 0.2234(4) 0.0464(19) Uani 0.677(14) 1 d PU A 1
H77A H 0.8422 0.2903 0.1836 0.070 Uiso 0.677(14) 1 calc PR A 1
H77B H 0.9409 0.2558 0.2079 0.070 Uiso 0.677(14) 1 calc PR A 1
H77C H 0.9450 0.3195 0.2256 0.070 Uiso 0.677(14) 1 calc PR A 1
C74 C 1.0014(8) 0.2633(4) 0.3686(7) 0.0464(19) Uani 0.677(14) 1 d PU A 1
H74A H 1.0257 0.2289 0.3553 0.070 Uiso 0.677(14) 1 calc PR A 1
H74B H 0.9974 0.2611 0.4228 0.070 Uiso 0.677(14) 1 calc PR A 1
H74C H 1.0461 0.2925 0.3670 0.070 Uiso 0.677(14) 1 calc PR A 1
C86 C 0.1444(17) -0.1073(10) 0.0625(15) 0.037(3) Uani 0.66(2) 1 d PU B 1
H86A H 0.0891 -0.1325 0.0450 0.056 Uiso 0.66(2) 1 calc PR B 1
H86B H 0.2054 -0.1276 0.0745 0.056 Uiso 0.66(2) 1 calc PR B 1
H86C H 0.1388 -0.0811 0.0195 0.056 Uiso 0.66(2) 1 calc PR B 1
C87 C 0.1441(11) -0.0780(5) 0.1367(8) 0.0276(18) Uani 0.66(2) 1 d PU B 1
H87 H 0.1454 -0.1059 0.1781 0.033 Uiso 0.66(2) 1 calc PR B 1
C88 C 0.0531(6) -0.0445(5) 0.1215(10) 0.069(4) Uani 0.66(2) 1 d PU B 1
H88A H 0.0538 -0.0140 0.0861 0.104 Uiso 0.66(2) 1 calc PR B 1
H88B H 0.0508 -0.0307 0.1728 0.104 Uiso 0.66(2) 1 calc PR B 1
H88C H -0.0044 -0.0671 0.0956 0.104 Uiso 0.66(2) 1 calc PR B 1
C78 C 0.9181(11) 0.2627(7) 0.2832(8) 0.028(3) Uani 0.323(14) 1 d PU A 2
H78 H 0.9488 0.2406 0.2509 0.033 Uiso 0.323(14) 1 calc PR A 2
C79 C 0.8751(11) 0.3094(6) 0.2393(8) 0.032(3) Uani 0.323(14) 1 d PU A 2
H79A H 0.8964 0.3443 0.2607 0.038 Uiso 0.323(14) 1 calc PR A 2
H79B H 0.8249 0.3060 0.1883 0.038 Uiso 0.323(14) 1 calc PR A 2
C80 C 0.9941(15) 0.2794(7) 0.3602(11) 0.032(3) Uani 0.323(14) 1 d PU A 2
H80A H 1.0411 0.3034 0.3487 0.048 Uiso 0.323(14) 1 calc PR A 2
H80B H 1.0280 0.2472 0.3889 0.048 Uiso 0.323(14) 1 calc PR A 2
H80C H 0.9633 0.2985 0.3938 0.048 Uiso 0.323(14) 1 calc PR A 2
C89 C 0.162(4) -0.114(2) 0.073(3) 0.037(3) Uani 0.34(2) 1 d PU B 2
H89A H 0.1005 -0.1332 0.0449 0.056 Uiso 0.34(2) 1 calc PR B 2
H89B H 0.2076 -0.1395 0.1100 0.056 Uiso 0.34(2) 1 calc PR B 2
H89C H 0.1899 -0.1009 0.0335 0.056 Uiso 0.34(2) 1 calc PR B 2
C90 C 0.141(2) -0.0647(10) 0.1226(17) 0.0276(18) Uani 0.34(2) 1 d PU B 2
H90 H 0.1114 -0.0807 0.1606 0.033 Uiso 0.34(2) 1 calc PR B 2
C91 C 0.0638(13) -0.0300(7) 0.0657(17) 0.068(7) Uani 0.34(2) 1 d PU B 2
H91A H 0.0874 -0.0154 0.0241 0.101 Uiso 0.34(2) 1 calc PR B 2
H91B H 0.0481 -0.0001 0.0955 0.101 Uiso 0.34(2) 1 calc PR B 2
H91C H 0.0052 -0.0518 0.0402 0.101 Uiso 0.34(2) 1 calc PR B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 C47 2.173(3) . ?
Ir1 C48 2.183(3) . ?
Ir1 C44 2.196(3) . ?
Ir1 C43 2.206(3) . ?
Ir1 P1 2.3190(8) . ?
Ir1 Sn1 2.6203(3) . ?
C1 C6 1.403(5) . ?
C1 C2 1.404(4) . ?
C1 Sn1 2.173(3) . ?
O1 C65 1.383(7) . ?
O1 C63 1.402(7) . ?
Sn1 C7 2.216(3) . ?
Sn1 Cl1 2.4303(7) . ?
P1 C57 1.847(3) . ?
P1 C2 1.848(3) . ?
P1 C51 1.865(3) . ?
C2 C3 1.395(5) . ?
C3 C4 1.387(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.379(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.414(4) . ?
C7 C8 1.416(4) . ?
C8 C9 1.396(5) . ?
C8 C13 1.503(5) . ?
C9 C10 1.381(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(4) . ?
C11 H11 0.9500 . ?
C12 C19 1.511(4) . ?
C13 C14 1.410(5) . ?
C13 C18 1.415(5) . ?
C14 C15 1.385(5) . ?
C14 C25 1.526(5) . ?
C15 C16 1.377(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(6) . ?
C16 C76 1.513(8) . ?
C16 C78 1.640(14) . ?
C17 C18 1.400(5) . ?
C17 H17 0.9500 . ?
C18 C31 1.523(5) . ?
C19 C20 1.403(4) . ?
C19 C24 1.415(4) . ?
C20 C21 1.391(4) . ?
C20 C37 1.524(4) . ?
C24 C23 1.387(5) . ?
C24 C34 1.521(4) . ?
C23 C22 1.390(5) . ?
C23 H23 0.9500 . ?
C22 C21 1.391(4) . ?
C22 C90 1.47(3) . ?
C22 C87 1.557(15) . ?
C21 H21 0.9500 . ?
C34 C36 1.525(5) . ?
C34 C35 1.527(5) . ?
C34 H34 1.0000 . ?
C33 C31 1.543(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C32 C31 1.528(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C31 H31 1.0000 . ?
C27 C25 1.537(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C26 C25 1.528(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C25 H25 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 C38 1.529(5) . ?
C37 C39 1.533(5) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C63 C64 1.496(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C62 C57 1.526(5) . ?
C62 C61 1.531(5) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C61 C60 1.520(6) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C60 C59 1.523(6) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C59 C58 1.530(5) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C58 C57 1.541(5) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C57 H57 1.0000 . ?
C56 C55 1.526(5) . ?
C56 C51 1.544(5) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C55 C54 1.520(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C54 C53 1.513(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C53 C52 1.530(5) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C52 C51 1.545(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C51 H51 1.0000 . ?
C50 C43 1.501(5) . ?
C50 C49 1.540(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C49 C48 1.509(5) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C48 C47 1.416(5) . ?
C48 H48 1.0000 . ?
C47 C46 1.486(5) . ?
C47 H47 1.0000 . ?
C46 C45 1.530(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C45 C44 1.525(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C44 C43 1.386(5) . ?
C44 H44 1.0000 . ?
C43 H43 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.471(8) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C76 C74 1.526(13) . ?
C76 C77 1.552(13) . ?
C76 H76 1.0000 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C86 C87 1.50(3) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.509(16) . ?
C87 H87 1.0000 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C78 C79 1.41(2) . ?
C78 C80 1.49(2) . ?
C78 H78 1.0000 . ?
C79 H79A 0.9500 . ?
C79 H79B 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C89 C90 1.59(6) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 C91 1.50(3) . ?
C90 H90 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 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
C47 Ir1 C48 37.94(13) . . ?
C47 Ir1 C44 80.02(13) . . ?
C48 Ir1 C44 86.77(13) . . ?
C47 Ir1 C43 96.14(13) . . ?
C48 Ir1 C43 79.70(13) . . ?
C44 Ir1 C43 36.72(13) . . ?
C47 Ir1 P1 93.71(10) . . ?
C48 Ir1 P1 96.27(10) . . ?
C44 Ir1 P1 165.60(10) . . ?
C43 Ir1 P1 157.67(10) . . ?
C47 Ir1 Sn1 170.30(10) . . ?
C48 Ir1 Sn1 151.55(10) . . ?
C44 Ir1 Sn1 100.32(9) . . ?
C43 Ir1 Sn1 89.60(10) . . ?
P1 Ir1 Sn1 83.68(2) . . ?
C6 C1 C2 118.2(3) . . ?
C6 C1 Sn1 125.4(2) . . ?
C2 C1 Sn1 116.3(2) . . ?
C65 O1 C63 113.7(4) . . ?
C1 Sn1 C7 114.45(12) . . ?
C1 Sn1 Cl1 95.18(9) . . ?
C7 Sn1 Cl1 100.83(7) . . ?
C1 Sn1 Ir1 97.58(9) . . ?
C7 Sn1 Ir1 133.51(8) . . ?
Cl1 Sn1 Ir1 109.18(2) . . ?
C57 P1 C2 104.20(16) . . ?
C57 P1 C51 103.99(15) . . ?
C2 P1 C51 105.47(15) . . ?
C57 P1 Ir1 115.71(12) . . ?
C2 P1 Ir1 113.39(11) . . ?
C51 P1 Ir1 112.99(11) . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 P1 120.4(3) . . ?
C1 C2 P1 119.7(3) . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 121.3(3) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 117.6(3) . . ?
C12 C7 Sn1 118.8(2) . . ?
C8 C7 Sn1 123.6(2) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 C13 113.7(3) . . ?
C7 C8 C13 126.3(3) . . ?
C10 C9 C8 122.1(3) . . ?
C10 C9 H9 119.0 . . ?
C8 C9 H9 119.0 . . ?
C11 C10 C9 118.5(3) . . ?
C11 C10 H10 120.8 . . ?
C9 C10 H10 120.8 . . ?
C10 C11 C12 121.4(3) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 C19 112.8(3) . . ?
C7 C12 C19 126.3(3) . . ?
C14 C13 C18 119.3(3) . . ?
C14 C13 C8 120.4(3) . . ?
C18 C13 C8 119.7(3) . . ?
C15 C14 C13 119.0(3) . . ?
C15 C14 C25 119.7(3) . . ?
C13 C14 C25 121.3(3) . . ?
C16 C15 C14 122.6(4) . . ?
C16 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C15 C16 C17 118.3(4) . . ?
C15 C16 C76 113.7(5) . . ?
C17 C16 C76 127.9(5) . . ?
C15 C16 C78 133.9(6) . . ?
C17 C16 C78 107.1(6) . . ?
C16 C17 C18 121.9(4) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C17 C18 C13 118.8(3) . . ?
C17 C18 C31 118.9(3) . . ?
C13 C18 C31 122.2(3) . . ?
C20 C19 C24 119.5(3) . . ?
C20 C19 C12 121.2(3) . . ?
C24 C19 C12 118.0(3) . . ?
C21 C20 C19 119.1(3) . . ?
C21 C20 C37 119.6(3) . . ?
C19 C20 C37 121.3(3) . . ?
C23 C24 C19 119.0(3) . . ?
C23 C24 C34 120.1(3) . . ?
C19 C24 C34 120.7(3) . . ?
C24 C23 C22 122.4(3) . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 C22 C21 117.4(3) . . ?
C23 C22 C90 115.0(11) . . ?
C21 C22 C90 126.9(12) . . ?
C23 C22 C87 124.6(6) . . ?
C21 C22 C87 117.9(6) . . ?
C20 C21 C22 122.5(3) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C24 C34 C36 113.2(3) . . ?
C24 C34 C35 110.6(3) . . ?
C36 C34 C35 111.0(3) . . ?
C24 C34 H34 107.3 . . ?
C36 C34 H34 107.3 . . ?
C35 C34 H34 107.3 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C18 C31 C32 110.2(3) . . ?
C18 C31 C33 113.6(3) . . ?
C32 C31 C33 109.5(3) . . ?
C18 C31 H31 107.8 . . ?
C32 C31 H31 107.8 . . ?
C33 C31 H31 107.8 . . ?
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 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 . . ?
C14 C25 C26 111.0(3) . . ?
C14 C25 C27 113.4(3) . . ?
C26 C25 C27 109.2(3) . . ?
C14 C25 H25 107.7 . . ?
C26 C25 H25 107.7 . . ?
C27 C25 H25 107.7 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C20 C37 C38 111.6(3) . . ?
C20 C37 C39 110.3(3) . . ?
C38 C37 C39 111.5(3) . . ?
C20 C37 H37 107.8 . . ?
C38 C37 H37 107.8 . . ?
C39 C37 H37 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 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O1 C63 C64 110.4(5) . . ?
O1 C63 H63A 109.6 . . ?
C64 C63 H63A 109.6 . . ?
O1 C63 H63B 109.6 . . ?
C64 C63 H63B 109.6 . . ?
H63A C63 H63B 108.1 . . ?
C57 C62 C61 109.5(3) . . ?
C57 C62 H62A 109.8 . . ?
C61 C62 H62A 109.8 . . ?
C57 C62 H62B 109.8 . . ?
C61 C62 H62B 109.8 . . ?
H62A C62 H62B 108.2 . . ?
C60 C61 C62 111.6(3) . . ?
C60 C61 H61A 109.3 . . ?
C62 C61 H61A 109.3 . . ?
C60 C61 H61B 109.3 . . ?
C62 C61 H61B 109.3 . . ?
H61A C61 H61B 108.0 . . ?
C61 C60 C59 111.4(3) . . ?
C61 C60 H60A 109.4 . . ?
C59 C60 H60A 109.4 . . ?
C61 C60 H60B 109.4 . . ?
C59 C60 H60B 109.4 . . ?
H60A C60 H60B 108.0 . . ?
C60 C59 C58 112.0(3) . . ?
C60 C59 H59A 109.2 . . ?
C58 C59 H59A 109.2 . . ?
C60 C59 H59B 109.2 . . ?
C58 C59 H59B 109.2 . . ?
H59A C59 H59B 107.9 . . ?
C59 C58 C57 110.9(3) . . ?
C59 C58 H58A 109.5 . . ?
C57 C58 H58A 109.5 . . ?
C59 C58 H58B 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 108.0 . . ?
C62 C57 C58 109.6(3) . . ?
C62 C57 P1 112.9(2) . . ?
C58 C57 P1 113.1(2) . . ?
C62 C57 H57 107.0 . . ?
C58 C57 H57 107.0 . . ?
P1 C57 H57 107.0 . . ?
C55 C56 C51 110.0(3) . . ?
C55 C56 H56A 109.7 . . ?
C51 C56 H56A 109.7 . . ?
C55 C56 H56B 109.7 . . ?
C51 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C54 C55 C56 111.3(3) . . ?
C54 C55 H55A 109.4 . . ?
C56 C55 H55A 109.4 . . ?
C54 C55 H55B 109.4 . . ?
C56 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C53 C54 C55 111.7(3) . . ?
C53 C54 H54A 109.3 . . ?
C55 C54 H54A 109.3 . . ?
C53 C54 H54B 109.3 . . ?
C55 C54 H54B 109.3 . . ?
H54A C54 H54B 107.9 . . ?
C54 C53 C52 111.6(3) . . ?
C54 C53 H53A 109.3 . . ?
C52 C53 H53A 109.3 . . ?
C54 C53 H53B 109.3 . . ?
C52 C53 H53B 109.3 . . ?
H53A C53 H53B 108.0 . . ?
C53 C52 C51 109.4(3) . . ?
C53 C52 H52A 109.8 . . ?
C51 C52 H52A 109.8 . . ?
C53 C52 H52B 109.8 . . ?
C51 C52 H52B 109.8 . . ?
H52A C52 H52B 108.2 . . ?
C56 C51 C52 110.4(3) . . ?
C56 C51 P1 111.3(2) . . ?
C52 C51 P1 120.3(2) . . ?
C56 C51 H51 104.4 . . ?
C52 C51 H51 104.4 . . ?
P1 C51 H51 104.4 . . ?
C43 C50 C49 112.8(3) . . ?
C43 C50 H50A 109.0 . . ?
C49 C50 H50A 109.0 . . ?
C43 C50 H50B 109.0 . . ?
C49 C50 H50B 109.0 . . ?
H50A C50 H50B 107.8 . . ?
C48 C49 C50 111.5(3) . . ?
C48 C49 H49A 109.3 . . ?
C50 C49 H49A 109.3 . . ?
C48 C49 H49B 109.3 . . ?
C50 C49 H49B 109.3 . . ?
H49A C49 H49B 108.0 . . ?
C47 C48 C49 123.2(3) . . ?
C47 C48 Ir1 70.7(2) . . ?
C49 C48 Ir1 114.0(2) . . ?
C47 C48 H48 113.9 . . ?
C49 C48 H48 113.9 . . ?
Ir1 C48 H48 113.9 . . ?
C48 C47 C46 124.4(3) . . ?
C48 C47 Ir1 71.40(19) . . ?
C46 C47 Ir1 111.0(2) . . ?
C48 C47 H47 114.1 . . ?
C46 C47 H47 114.1 . . ?
Ir1 C47 H47 114.1 . . ?
C47 C46 C45 113.7(3) . . ?
C47 C46 H46A 108.8 . . ?
C45 C46 H46A 108.8 . . ?
C47 C46 H46B 108.8 . . ?
C45 C46 H46B 108.8 . . ?
H46A C46 H46B 107.7 . . ?
C44 C45 C46 113.0(3) . . ?
C44 C45 H45A 109.0 . . ?
C46 C45 H45A 109.0 . . ?
C44 C45 H45B 109.0 . . ?
C46 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
C43 C44 C45 126.0(3) . . ?
C43 C44 Ir1 72.0(2) . . ?
C45 C44 Ir1 112.6(2) . . ?
C43 C44 H44 113.1 . . ?
C45 C44 H44 113.1 . . ?
Ir1 C44 H44 113.1 . . ?
C44 C43 C50 125.3(3) . . ?
C44 C43 Ir1 71.24(19) . . ?
C50 C43 Ir1 109.1(2) . . ?
C44 C43 H43 114.3 . . ?
C50 C43 H43 114.3 . . ?
Ir1 C43 H43 114.3 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O1 C65 C66 109.9(5) . . ?
O1 C65 H65A 109.7 . . ?
C66 C65 H65A 109.7 . . ?
O1 C65 H65B 109.7 . . ?
C66 C65 H65B 109.7 . . ?
H65A C65 H65B 108.2 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C16 C76 C74 109.0(6) . . ?
C16 C76 C77 110.2(7) . . ?
C74 C76 C77 110.0(8) . . ?
C16 C76 H76 109.2 . . ?
C74 C76 H76 109.2 . . ?
C77 C76 H76 109.2 . . ?
C86 C87 C88 112.0(12) . . ?
C86 C87 C22 113.5(14) . . ?
C88 C87 C22 108.4(8) . . ?
C86 C87 H87 107.6 . . ?
C88 C87 H87 107.6 . . ?
C22 C87 H87 107.6 . . ?
C79 C78 C80 109.1(14) . . ?
C79 C78 C16 110.1(13) . . ?
C80 C78 C16 109.1(10) . . ?
C79 C78 H78 109.5 . . ?
C80 C78 H78 109.5 . . ?
C16 C78 H78 109.5 . . ?
C78 C79 H79A 120.0 . . ?
C78 C79 H79B 120.0 . . ?
H79A C79 H79B 120.0 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C90 C89 H89A 109.5 . . ?
C90 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C90 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C22 C90 C91 120.3(16) . . ?
C22 C90 C89 110(3) . . ?
C91 C90 C89 108(3) . . ?
C22 C90 H90 105.8 . . ?
C91 C90 H90 105.8 . . ?
C89 C90 H90 105.8 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?

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
C6 C1 Sn1 C7 62.6(3) . . . . ?
C2 C1 Sn1 C7 -121.9(3) . . . . ?
C6 C1 Sn1 Cl1 -41.7(3) . . . . ?
C2 C1 Sn1 Cl1 133.7(2) . . . . ?
C6 C1 Sn1 Ir1 -151.9(3) . . . . ?
C2 C1 Sn1 Ir1 23.6(3) . . . . ?
C48 Ir1 Sn1 C1 67.0(2) . . . . ?
C44 Ir1 Sn1 C1 169.45(13) . . . . ?
C43 Ir1 Sn1 C1 134.14(13) . . . . ?
P1 Ir1 Sn1 C1 -24.53(9) . . . . ?
C48 Ir1 Sn1 C7 -158.4(2) . . . . ?
C44 Ir1 Sn1 C7 -55.95(14) . . . . ?
C43 Ir1 Sn1 C7 -91.27(14) . . . . ?
P1 Ir1 Sn1 C7 110.07(11) . . . . ?
C48 Ir1 Sn1 Cl1 -31.2(2) . . . . ?
C44 Ir1 Sn1 Cl1 71.24(10) . . . . ?
C43 Ir1 Sn1 Cl1 35.93(10) . . . . ?
P1 Ir1 Sn1 Cl1 -122.74(3) . . . . ?
C47 Ir1 P1 C57 76.74(16) . . . . ?
C48 Ir1 P1 C57 114.74(16) . . . . ?
C44 Ir1 P1 C57 13.2(4) . . . . ?
C43 Ir1 P1 C57 -167.2(3) . . . . ?
Sn1 Ir1 P1 C57 -93.89(12) . . . . ?
C47 Ir1 P1 C2 -162.94(16) . . . . ?
C48 Ir1 P1 C2 -124.94(16) . . . . ?
C44 Ir1 P1 C2 133.5(4) . . . . ?
C43 Ir1 P1 C2 -46.8(3) . . . . ?
Sn1 Ir1 P1 C2 26.44(13) . . . . ?
C47 Ir1 P1 C51 -42.99(15) . . . . ?
C48 Ir1 P1 C51 -4.98(15) . . . . ?
C44 Ir1 P1 C51 -106.5(4) . . . . ?
C43 Ir1 P1 C51 73.1(3) . . . . ?
Sn1 Ir1 P1 C51 146.39(11) . . . . ?
C6 C1 C2 C3 -5.8(5) . . . . ?
Sn1 C1 C2 C3 178.4(3) . . . . ?
C6 C1 C2 P1 169.7(3) . . . . ?
Sn1 C1 C2 P1 -6.1(4) . . . . ?
C57 P1 C2 C3 -76.5(3) . . . . ?
C51 P1 C2 C3 32.7(4) . . . . ?
Ir1 P1 C2 C3 156.8(3) . . . . ?
C57 P1 C2 C1 108.0(3) . . . . ?
C51 P1 C2 C1 -142.8(3) . . . . ?
Ir1 P1 C2 C1 -18.6(3) . . . . ?
C1 C2 C3 C4 5.7(6) . . . . ?
P1 C2 C3 C4 -169.8(3) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C3 C4 C5 C6 -3.1(6) . . . . ?
C4 C5 C6 C1 2.9(6) . . . . ?
C2 C1 C6 C5 1.6(5) . . . . ?
Sn1 C1 C6 C5 177.0(3) . . . . ?
C1 Sn1 C7 C12 157.6(2) . . . . ?
Cl1 Sn1 C7 C12 -101.6(2) . . . . ?
Ir1 Sn1 C7 C12 28.4(3) . . . . ?
C1 Sn1 C7 C8 -19.3(3) . . . . ?
Cl1 Sn1 C7 C8 81.5(2) . . . . ?
Ir1 Sn1 C7 C8 -148.49(19) . . . . ?
C12 C7 C8 C9 -4.3(4) . . . . ?
Sn1 C7 C8 C9 172.6(2) . . . . ?
C12 C7 C8 C13 171.6(3) . . . . ?
Sn1 C7 C8 C13 -11.5(4) . . . . ?
C7 C8 C9 C10 0.1(5) . . . . ?
C13 C8 C9 C10 -176.3(3) . . . . ?
C8 C9 C10 C11 3.1(5) . . . . ?
C9 C10 C11 C12 -2.0(5) . . . . ?
C10 C11 C12 C7 -2.3(4) . . . . ?
C10 C11 C12 C19 169.6(3) . . . . ?
C8 C7 C12 C11 5.4(4) . . . . ?
Sn1 C7 C12 C11 -171.7(2) . . . . ?
C8 C7 C12 C19 -165.3(3) . . . . ?
Sn1 C7 C12 C19 17.7(4) . . . . ?
C9 C8 C13 C14 -81.2(4) . . . . ?
C7 C8 C13 C14 102.6(4) . . . . ?
C9 C8 C13 C18 89.8(4) . . . . ?
C7 C8 C13 C18 -86.3(4) . . . . ?
C18 C13 C14 C15 -0.6(5) . . . . ?
C8 C13 C14 C15 170.5(3) . . . . ?
C18 C13 C14 C25 -179.5(3) . . . . ?
C8 C13 C14 C25 -8.5(5) . . . . ?
C13 C14 C15 C16 0.5(6) . . . . ?
C25 C14 C15 C16 179.4(4) . . . . ?
C14 C15 C16 C17 0.0(6) . . . . ?
C14 C15 C16 C76 176.5(5) . . . . ?
C14 C15 C16 C78 -169.6(9) . . . . ?
C15 C16 C17 C18 -0.3(6) . . . . ?
C76 C16 C17 C18 -176.3(5) . . . . ?
C78 C16 C17 C18 171.8(7) . . . . ?
C16 C17 C18 C13 0.2(6) . . . . ?
C16 C17 C18 C31 -176.4(3) . . . . ?
C14 C13 C18 C17 0.3(5) . . . . ?
C8 C13 C18 C17 -170.9(3) . . . . ?
C14 C13 C18 C31 176.7(3) . . . . ?
C8 C13 C18 C31 5.6(5) . . . . ?
C11 C12 C19 C20 69.8(4) . . . . ?
C7 C12 C19 C20 -118.9(3) . . . . ?
C11 C12 C19 C24 -97.1(3) . . . . ?
C7 C12 C19 C24 74.2(4) . . . . ?
C24 C19 C20 C21 2.5(5) . . . . ?
C12 C19 C20 C21 -164.2(3) . . . . ?
C24 C19 C20 C37 -176.9(3) . . . . ?
C12 C19 C20 C37 16.4(5) . . . . ?
C20 C19 C24 C23 -0.5(5) . . . . ?
C12 C19 C24 C23 166.7(3) . . . . ?
C20 C19 C24 C34 -175.3(3) . . . . ?
C12 C19 C24 C34 -8.1(4) . . . . ?
C19 C24 C23 C22 -2.6(5) . . . . ?
C34 C24 C23 C22 172.2(3) . . . . ?
C24 C23 C22 C21 3.4(5) . . . . ?
C24 C23 C22 C90 174.4(12) . . . . ?
C24 C23 C22 C87 -172.2(6) . . . . ?
C19 C20 C21 C22 -1.7(5) . . . . ?
C37 C20 C21 C22 177.7(3) . . . . ?
C23 C22 C21 C20 -1.2(5) . . . . ?
C90 C22 C21 C20 -171.0(13) . . . . ?
C87 C22 C21 C20 174.7(6) . . . . ?
C23 C24 C34 C36 35.2(4) . . . . ?
C19 C24 C34 C36 -150.0(3) . . . . ?
C23 C24 C34 C35 -90.0(4) . . . . ?
C19 C24 C34 C35 84.7(4) . . . . ?
C17 C18 C31 C32 84.0(4) . . . . ?
C13 C18 C31 C32 -92.5(4) . . . . ?
C17 C18 C31 C33 -39.3(5) . . . . ?
C13 C18 C31 C33 144.2(3) . . . . ?
C15 C14 C25 C26 -83.2(4) . . . . ?
C13 C14 C25 C26 95.7(4) . . . . ?
C15 C14 C25 C27 40.1(5) . . . . ?
C13 C14 C25 C27 -141.0(4) . . . . ?
C21 C20 C37 C38 62.9(4) . . . . ?
C19 C20 C37 C38 -117.6(3) . . . . ?
C21 C20 C37 C39 -61.5(4) . . . . ?
C19 C20 C37 C39 117.9(3) . . . . ?
C65 O1 C63 C64 174.7(5) . . . . ?
C57 C62 C61 C60 58.8(4) . . . . ?
C62 C61 C60 C59 -55.0(4) . . . . ?
C61 C60 C59 C58 52.6(4) . . . . ?
C60 C59 C58 C57 -54.4(4) . . . . ?
C61 C62 C57 C58 -59.7(4) . . . . ?
C61 C62 C57 P1 173.2(3) . . . . ?
C59 C58 C57 C62 57.9(4) . . . . ?
C59 C58 C57 P1 -175.1(2) . . . . ?
C2 P1 C57 C62 -57.5(3) . . . . ?
C51 P1 C57 C62 -167.8(2) . . . . ?
Ir1 P1 C57 C62 67.7(3) . . . . ?
C2 P1 C57 C58 177.3(2) . . . . ?
C51 P1 C57 C58 67.0(3) . . . . ?
Ir1 P1 C57 C58 -57.5(3) . . . . ?
C51 C56 C55 C54 56.2(4) . . . . ?
C56 C55 C54 C53 -55.4(4) . . . . ?
C55 C54 C53 C52 56.0(4) . . . . ?
C54 C53 C52 C51 -56.9(4) . . . . ?
C55 C56 C51 C52 -57.9(4) . . . . ?
C55 C56 C51 P1 165.9(3) . . . . ?
C53 C52 C51 C56 57.9(4) . . . . ?
C53 C52 C51 P1 -170.4(2) . . . . ?
C57 P1 C51 C56 159.1(2) . . . . ?
C2 P1 C51 C56 49.8(3) . . . . ?
Ir1 P1 C51 C56 -74.6(2) . . . . ?
C57 P1 C51 C52 27.8(3) . . . . ?
C2 P1 C51 C52 -81.5(3) . . . . ?
Ir1 P1 C51 C52 154.1(2) . . . . ?
C43 C50 C49 C48 36.2(5) . . . . ?
C50 C49 C48 C47 -97.0(4) . . . . ?
C50 C49 C48 Ir1 -15.1(4) . . . . ?
C44 Ir1 C48 C47 77.9(2) . . . . ?
C43 Ir1 C48 C47 114.2(2) . . . . ?
P1 Ir1 C48 C47 -88.0(2) . . . . ?
Sn1 Ir1 C48 C47 -176.30(16) . . . . ?
C47 Ir1 C48 C49 -118.6(4) . . . . ?
C44 Ir1 C48 C49 -40.7(3) . . . . ?
C43 Ir1 C48 C49 -4.4(3) . . . . ?
P1 Ir1 C48 C49 153.4(3) . . . . ?
Sn1 Ir1 C48 C49 65.1(4) . . . . ?
C49 C48 C47 C46 3.4(5) . . . . ?
Ir1 C48 C47 C46 -103.2(3) . . . . ?
C49 C48 C47 Ir1 106.6(3) . . . . ?
C44 Ir1 C47 C48 -97.6(2) . . . . ?
C43 Ir1 C47 C48 -64.5(2) . . . . ?
P1 Ir1 C47 C48 95.4(2) . . . . ?
C48 Ir1 C47 C46 120.6(3) . . . . ?
C44 Ir1 C47 C46 23.0(3) . . . . ?
C43 Ir1 C47 C46 56.1(3) . . . . ?
P1 Ir1 C47 C46 -144.0(2) . . . . ?
C48 C47 C46 C45 46.3(5) . . . . ?
Ir1 C47 C46 C45 -35.0(4) . . . . ?
C47 C46 C45 C44 28.9(5) . . . . ?
C46 C45 C44 C43 -92.4(4) . . . . ?
C46 C45 C44 Ir1 -8.7(4) . . . . ?
C47 Ir1 C44 C43 114.7(2) . . . . ?
C48 Ir1 C44 C43 77.1(2) . . . . ?
P1 Ir1 C44 C43 179.8(3) . . . . ?
Sn1 Ir1 C44 C43 -75.2(2) . . . . ?
C47 Ir1 C44 C45 -7.6(3) . . . . ?
C48 Ir1 C44 C45 -45.2(3) . . . . ?
C43 Ir1 C44 C45 -122.3(4) . . . . ?
P1 Ir1 C44 C45 57.5(5) . . . . ?
Sn1 Ir1 C44 C45 162.6(2) . . . . ?
C45 C44 C43 C50 4.7(6) . . . . ?
Ir1 C44 C43 C50 -100.6(3) . . . . ?
C45 C44 C43 Ir1 105.3(3) . . . . ?
C49 C50 C43 C44 41.1(5) . . . . ?
C49 C50 C43 Ir1 -39.1(4) . . . . ?
C47 Ir1 C43 C44 -64.2(2) . . . . ?
C48 Ir1 C43 C44 -98.5(2) . . . . ?
P1 Ir1 C43 C44 -179.85(19) . . . . ?
Sn1 Ir1 C43 C44 108.0(2) . . . . ?
C47 Ir1 C43 C50 57.6(3) . . . . ?
C48 Ir1 C43 C50 23.3(3) . . . . ?
C44 Ir1 C43 C50 121.8(4) . . . . ?
P1 Ir1 C43 C50 -58.0(4) . . . . ?
Sn1 Ir1 C43 C50 -130.2(3) . . . . ?
C63 O1 C65 C66 175.7(5) . . . . ?
C15 C16 C76 C74 71.9(9) . . . . ?
C17 C16 C76 C74 -111.9(8) . . . . ?
C78 C16 C76 C74 -82.1(17) . . . . ?
C15 C16 C76 C77 -167.2(6) . . . . ?
C17 C16 C76 C77 8.9(10) . . . . ?
C78 C16 C76 C77 38.8(17) . . . . ?
C23 C22 C87 C86 19.3(15) . . . . ?
C21 C22 C87 C86 -156.3(11) . . . . ?
C90 C22 C87 C86 73(7) . . . . ?
C23 C22 C87 C88 -105.8(9) . . . . ?
C21 C22 C87 C88 78.6(8) . . . . ?
C90 C22 C87 C88 -52(6) . . . . ?
C15 C16 C78 C79 -100.0(12) . . . . ?
C17 C16 C78 C79 89.6(14) . . . . ?
C76 C16 C78 C79 -66(2) . . . . ?
C15 C16 C78 C80 19.6(19) . . . . ?
C17 C16 C78 C80 -150.8(12) . . . . ?
C76 C16 C78 C80 53.5(16) . . . . ?
C23 C22 C90 C91 -68(3) . . . . ?
C21 C22 C90 C91 102(2) . . . . ?
C87 C22 C90 C91 159(9) . . . . ?
C23 C22 C90 C89 59(3) . . . . ?
C21 C22 C90 C89 -131(3) . . . . ?
C87 C22 C90 C89 -74(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        28.32
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.454
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.115
####################################################################### 
# 
# 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_KK126_0m
_database_code_depnum_ccdc_archive 'CCDC 1575455'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C62 H75 Cl Ir P Sn'
_chemical_formula_weight         1197.53

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'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   15.7017(4)
_cell_length_b                   15.4093(4)
_cell_length_c                   22.9954(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.6070(10)
_cell_angle_gamma                90
_cell_volume                     5273.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9997
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.41

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             2424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.336
_exptl_crystal_size_mid          0.226
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    3.115
_shelx_estimated_absorpt_T_min   0.421
_shelx_estimated_absorpt_T_max   0.742
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5142
_exptl_absorpt_correction_T_max  0.7676
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            82748
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.618
_diffrn_reflns_theta_max         28.428
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13226
_reflns_number_gt                11893
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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)+(0.0222P)²+11.1457P] 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         13226
_refine_ls_number_parameters     607
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0600
_refine_ls_wR_factor_gt          0.0577
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.018
_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
Ir1 Ir 0.23800(2) 0.05788(2) 0.15603(2) 0.01849(3) Uani 1 1 d . . . . .
Sn1 Sn 0.29083(2) 0.17555(2) 0.24186(2) 0.01305(4) Uani 1 1 d . . . . .
Cl1 Cl 0.39332(4) 0.28144(4) 0.22432(3) 0.02123(12) Uani 1 1 d . . . . .
P1 P 0.27673(4) -0.03130(4) 0.23980(3) 0.01578(12) Uani 1 1 d . . . . .
C1 C 0.2776(3) -0.0344(2) 0.09668(15) 0.0413(9) Uani 1 1 d . . . . .
H12 H 0.3222 -0.0535 0.1331 0.050 Uiso 1 1 calc R U . . .
C2 C 0.1830(3) -0.0443(2) 0.09020(16) 0.0415(8) Uani 1 1 d . . . . .
H11 H 0.1683 -0.0752 0.1215 0.050 Uiso 1 1 calc R U . . .
C3 C 0.1068(3) -0.0098(3) 0.03806(17) 0.0467(9) Uani 1 1 d . . . . .
H10 H 0.0513 -0.0109 0.0497 0.056 Uiso 1 1 calc R U . . .
H9 H 0.0974 -0.0483 0.0021 0.056 Uiso 1 1 calc R U . . .
C4 C 0.1228(3) 0.0832(2) 0.01979(16) 0.0410(8) Uani 1 1 d . . . . .
H1 H 0.1534 0.0807 -0.0117 0.049 Uiso 1 1 calc R U . . .
H8 H 0.0639 0.1119 0.0012 0.049 Uiso 1 1 calc R U . . .
C5 C 0.1785(2) 0.1374(2) 0.07297(14) 0.0356(8) Uani 1 1 d . . . . .
H7 H 0.1478 0.1656 0.0972 0.043 Uiso 1 1 calc R U . . .
C6 C 0.2688(3) 0.1493(2) 0.08928(15) 0.0390(8) Uani 1 1 d . . . . .
H6 H 0.2948 0.1898 0.1211 0.047 Uiso 1 1 calc R U . . .
C7 C 0.3310(3) 0.1041(3) 0.06136(19) 0.0521(11) Uani 1 1 d . . . . .
H5 H 0.3932 0.1075 0.0900 0.062 Uiso 1 1 calc R U . . .
H2 H 0.3295 0.1342 0.0230 0.062 Uiso 1 1 calc R U . . .
C8 C 0.3045(3) 0.0053(3) 0.04659(19) 0.0595(13) Uani 1 1 d . . . . .
H3 H 0.2542 0.0012 0.0076 0.071 Uiso 1 1 calc R U . . .
H4 H 0.3564 -0.0267 0.0415 0.071 Uiso 1 1 calc R U . . .
C9 C 0.38232(17) 0.00493(17) 0.29641(11) 0.0160(5) Uani 1 1 d . . . . .
C10 C 0.39209(16) 0.09511(17) 0.30639(11) 0.0154(5) Uani 1 1 d . . . . .
C11 C 0.47059(17) 0.12523(18) 0.35009(12) 0.0186(5) Uani 1 1 d . . . . .
H13 H 0.4780 0.1857 0.3581 0.022 Uiso 1 1 calc R U . . .
C12 C 0.53816(18) 0.06829(19) 0.38211(12) 0.0225(5) Uani 1 1 d . . . . .
H14 H 0.5920 0.0901 0.4105 0.027 Uiso 1 1 calc R U . . .
C13 C 0.52658(18) -0.02038(19) 0.37239(12) 0.0226(6) Uani 1 1 d . . . . .
H15 H 0.5725 -0.0593 0.3944 0.027 Uiso 1 1 calc R U . . .
C14 C 0.44823(18) -0.05249(18) 0.33073(12) 0.0203(5) Uani 1 1 d . . . . .
H16 H 0.4394 -0.1133 0.3255 0.024 Uiso 1 1 calc R U . . .
C15 C 0.20589(16) 0.25139(15) 0.28278(11) 0.0132(4) Uani 1 1 d . . . . .
C16 C 0.23278(17) 0.27116(16) 0.34634(11) 0.0151(5) Uani 1 1 d . . . . .
C17 C 0.32845(17) 0.26948(17) 0.38880(11) 0.0168(5) Uani 1 1 d . . . . .
C18 C 0.38357(18) 0.34171(18) 0.38882(12) 0.0201(5) Uani 1 1 d . . . . .
C19 C 0.35116(19) 0.41892(18) 0.34630(13) 0.0235(6) Uani 1 1 d . . . . .
H23 H 0.3042 0.3974 0.3085 0.028 Uiso 1 1 calc R U . . .
C20 C 0.3066(2) 0.4859(2) 0.37672(16) 0.0335(7) Uani 1 1 d . . . . .
H17 H 0.3502 0.5057 0.4153 0.050 Uiso 1 1 calc R U . . .
H18 H 0.2551 0.4592 0.3852 0.050 Uiso 1 1 calc R U . . .
H19 H 0.2860 0.5355 0.3491 0.050 Uiso 1 1 calc R U . . .
C21 C 0.4242(2) 0.4636(2) 0.32634(15) 0.0318(7) Uani 1 1 d . . . . .
H22 H 0.4660 0.4935 0.3615 0.048 Uiso 1 1 calc R U . . .
H21 H 0.3964 0.5058 0.2939 0.048 Uiso 1 1 calc R U . . .
H20 H 0.4569 0.4200 0.3107 0.048 Uiso 1 1 calc R U . . .
C22 C 0.46814(19) 0.34678(19) 0.43329(13) 0.0254(6) Uani 1 1 d . . . . .
H24 H 0.5057 0.3949 0.4327 0.031 Uiso 1 1 calc R U . . .
C23 C 0.49913(19) 0.2839(2) 0.47832(13) 0.0250(6) Uani 1 1 d . . . . .
C24 C 0.5921(2) 0.2943(2) 0.52574(15) 0.0329(7) Uani 1 1 d . . . . .
H25 H 0.6078 0.3573 0.5264 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5942(3) 0.2711(3) 0.58978(16) 0.0492(10) Uani 1 1 d . . . . .
H26 H 0.5836 0.2087 0.5920 0.074 Uiso 1 1 calc R U . . .
H28 H 0.5474 0.3036 0.6002 0.074 Uiso 1 1 calc R U . . .
H27 H 0.6532 0.2860 0.6188 0.074 Uiso 1 1 calc R U . . .
C26 C 0.6625(2) 0.2453(3) 0.5061(2) 0.0560(11) Uani 1 1 d . . . . .
H31 H 0.7223 0.2580 0.5348 0.084 Uiso 1 1 calc R U . . .
H30 H 0.6596 0.2635 0.4647 0.084 Uiso 1 1 calc R U . . .
H29 H 0.6509 0.1829 0.5063 0.084 Uiso 1 1 calc R U . . .
C27 C 0.44404(18) 0.21330(19) 0.47774(12) 0.0225(5) Uani 1 1 d . . . . .
H39 H 0.4646 0.1696 0.5081 0.027 Uiso 1 1 calc R U . . .
C28 C 0.35897(17) 0.20445(18) 0.43373(11) 0.0186(5) Uani 1 1 d . . . . .
C29 C 0.30070(18) 0.12717(19) 0.43781(12) 0.0225(6) Uani 1 1 d . . . . .
H32 H 0.2507 0.1225 0.3980 0.027 Uiso 1 1 calc R U . . .
C30 C 0.2592(2) 0.1424(2) 0.48905(16) 0.0374(8) Uani 1 1 d . . . . .
H33 H 0.3072 0.1464 0.5286 0.056 Uiso 1 1 calc R U . . .
H34 H 0.2194 0.0939 0.4901 0.056 Uiso 1 1 calc R U . . .
H35 H 0.2247 0.1965 0.4812 0.056 Uiso 1 1 calc R U . . .
C31 C 0.3516(2) 0.04119(19) 0.44932(13) 0.0243(6) Uani 1 1 d . . . . .
H37 H 0.3778 0.0308 0.4166 0.036 Uiso 1 1 calc R U . . .
H36 H 0.3100 -0.0060 0.4498 0.036 Uiso 1 1 calc R U . . .
H38 H 0.3995 0.0436 0.4889 0.036 Uiso 1 1 calc R U . . .
C32 C 0.16979(17) 0.30333(17) 0.37209(11) 0.0176(5) Uani 1 1 d . . . . .
H40 H 0.1878 0.3141 0.4150 0.021 Uiso 1 1 calc R U . . .
C33 C 0.08189(17) 0.31990(17) 0.33685(11) 0.0177(5) Uani 1 1 d . . . . .
H41 H 0.0394 0.3397 0.3555 0.021 Uiso 1 1 calc R U . . .
C34 C 0.05673(16) 0.30723(16) 0.27392(11) 0.0161(5) Uani 1 1 d . . . . .
H42 H -0.0025 0.3219 0.2491 0.019 Uiso 1 1 calc R U . . .
C35 C 0.11703(16) 0.27321(15) 0.24631(11) 0.0129(4) Uani 1 1 d . . . . .
C36 C 0.08151(16) 0.27179(15) 0.17694(10) 0.0132(4) Uani 1 1 d . . . . .
C37 C 0.11148(16) 0.33582(16) 0.14365(11) 0.0148(5) Uani 1 1 d . . . . .
C38 C 0.06826(18) 0.34370(17) 0.08067(11) 0.0179(5) Uani 1 1 d . . . . .
H43 H 0.0888 0.3863 0.0584 0.021 Uiso 1 1 calc R U . . .
C39 C -0.00408(18) 0.29119(18) 0.04924(11) 0.0191(5) Uani 1 1 d . . . . .
C40 C -0.05350(19) 0.30279(19) -0.01886(12) 0.0234(6) Uani 1 1 d . . . . .
H50 H -0.0901 0.2494 -0.0339 0.028 Uiso 1 1 calc R U . . .
C41 C -0.1171(3) 0.3792(3) -0.03009(15) 0.0465(10) Uani 1 1 d . . . . .
H46 H -0.1598 0.3708 -0.0075 0.070 Uiso 1 1 calc R U . . .
H45 H -0.1498 0.3838 -0.0741 0.070 Uiso 1 1 calc R U . . .
H44 H -0.0827 0.4325 -0.0160 0.070 Uiso 1 1 calc R U . . .
C42 C 0.0098(3) 0.3140(4) -0.05620(15) 0.0613(14) Uani 1 1 d . . . . .
H48 H 0.0429 0.3687 -0.0448 0.092 Uiso 1 1 calc R U . . .
H47 H -0.0249 0.3151 -0.1000 0.092 Uiso 1 1 calc R U . . .
H49 H 0.0524 0.2655 -0.0480 0.092 Uiso 1 1 calc R U . . .
C43 C -0.03171(18) 0.22854(17) 0.08259(11) 0.0187(5) Uani 1 1 d . . . . .
H58 H -0.0802 0.1915 0.0617 0.022 Uiso 1 1 calc R U . . .
C44 C 0.00895(17) 0.21772(16) 0.14583(11) 0.0157(5) Uani 1 1 d . . . . .
C45 C -0.02847(18) 0.14830(17) 0.17779(12) 0.0186(5) Uani 1 1 d . . . . .
H51 H 0.0100 0.1471 0.2218 0.022 Uiso 1 1 calc R U . . .
C46 C -0.12418(19) 0.1688(2) 0.17619(15) 0.0282(6) Uani 1 1 d . . . . .
H53 H -0.1253 0.2254 0.1954 0.042 Uiso 1 1 calc R U . . .
H54 H -0.1451 0.1239 0.1986 0.042 Uiso 1 1 calc R U . . .
H52 H -0.1637 0.1704 0.1335 0.042 Uiso 1 1 calc R U . . .
C47 C -0.0238(3) 0.05793(19) 0.15072(14) 0.0341(7) Uani 1 1 d . . . . .
H55 H -0.0652 0.0555 0.1086 0.051 Uiso 1 1 calc R U . . .
H56 H -0.0410 0.0139 0.1756 0.051 Uiso 1 1 calc R U . . .
H57 H 0.0376 0.0468 0.1507 0.051 Uiso 1 1 calc R U . . .
C48 C 0.18608(17) 0.39943(16) 0.17607(11) 0.0161(5) Uani 1 1 d . . . . .
H65 H 0.2272 0.3687 0.2126 0.019 Uiso 1 1 calc R U . . .
C49 C 0.24276(18) 0.42889(18) 0.13674(13) 0.0212(5) Uani 1 1 d . . . . .
H59 H 0.2072 0.4679 0.1044 0.032 Uiso 1 1 calc R U . . .
H60 H 0.2613 0.3782 0.1181 0.032 Uiso 1 1 calc R U . . .
H61 H 0.2962 0.4596 0.1625 0.032 Uiso 1 1 calc R U . . .
C50 C 0.14753(19) 0.47795(17) 0.20003(13) 0.0214(5) Uani 1 1 d . . . . .
H64 H 0.1077 0.5105 0.1653 0.032 Uiso 1 1 calc R U . . .
H63 H 0.1968 0.5156 0.2236 0.032 Uiso 1 1 calc R U . . .
H62 H 0.1134 0.4580 0.2265 0.032 Uiso 1 1 calc R U . . .
C51 C 0.28770(18) -0.14582(17) 0.22399(12) 0.0186(5) Uani 1 1 d . . . . .
C52 C 0.21247(19) -0.19939(18) 0.21157(13) 0.0223(5) Uani 1 1 d . . . . .
H70 H 0.1574 -0.1765 0.2137 0.027 Uiso 1 1 calc R U . . .
C53 C 0.2172(2) -0.28620(19) 0.19604(14) 0.0284(6) Uani 1 1 d . . . . .
H69 H 0.1655 -0.3221 0.1874 0.034 Uiso 1 1 calc R U . . .
C54 C 0.2973(2) -0.3201(2) 0.19314(15) 0.0304(6) Uani 1 1 d . . . . .
H68 H 0.3010 -0.3797 0.1835 0.036 Uiso 1 1 calc R U . . .
C55 C 0.3718(2) -0.2673(2) 0.20425(14) 0.0286(6) Uani 1 1 d . . . . .
H66 H 0.4267 -0.2907 0.2019 0.034 Uiso 1 1 calc R U . . .
C56 C 0.36729(19) -0.18053(18) 0.21878(13) 0.0223(5) Uani 1 1 d . . . . .
H67 H 0.4185 -0.1444 0.2252 0.027 Uiso 1 1 calc R U . . .
C57 C 0.20309(17) -0.03533(16) 0.28785(11) 0.0159(5) Uani 1 1 d . . . . .
C58 C 0.21321(18) -0.10009(17) 0.33201(12) 0.0196(5) Uani 1 1 d . . . . .
H75 H 0.2565 -0.1447 0.3359 0.024 Uiso 1 1 calc R U . . .
C59 C 0.16035(18) -0.09965(19) 0.37019(12) 0.0216(5) Uani 1 1 d . . . . .
H74 H 0.1666 -0.1446 0.3995 0.026 Uiso 1 1 calc R U . . .
C60 C 0.09837(19) -0.0336(2) 0.36568(13) 0.0243(6) Uani 1 1 d . . . . .
H73 H 0.0625 -0.0333 0.3920 0.029 Uiso 1 1 calc R U . . .
C61 C 0.08892(19) 0.0316(2) 0.32296(14) 0.0252(6) Uani 1 1 d . . . . .
H71 H 0.0472 0.0772 0.3203 0.030 Uiso 1 1 calc R U . . .
C62 C 0.14081(18) 0.03037(18) 0.28359(12) 0.0201(5) Uani 1 1 d . . . . .
H72 H 0.1334 0.0748 0.2537 0.024 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
Ir1 C2 2.164(3) . ?
Ir1 C1 2.194(3) . ?
Ir1 C5 2.210(3) . ?
Ir1 C6 2.247(3) . ?
Ir1 P1 2.2851(6) . ?
Ir1 Sn1 2.6128(2) . ?
Sn1 C10 2.182(2) . ?
Sn1 C15 2.198(2) . ?
Sn1 Cl1 2.4143(6) . ?
P1 C51 1.821(3) . ?
P1 C57 1.838(3) . ?
P1 C9 1.838(3) . ?
C1 C2 1.454(6) . ?
C1 C8 1.481(5) . ?
C1 H12 0.9500 . ?
C2 C3 1.495(5) . ?
C2 H11 0.9500 . ?
C3 C4 1.537(5) . ?
C3 H10 0.9900 . ?
C3 H9 0.9900 . ?
C4 C5 1.508(5) . ?
C4 H1 0.9900 . ?
C4 H8 0.9900 . ?
C5 C6 1.359(5) . ?
C5 H7 0.9500 . ?
C6 C7 1.501(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.586(7) . ?
C7 H5 0.9900 . ?
C7 H2 0.9900 . ?
C8 H3 0.9900 . ?
C8 H4 0.9900 . ?
C9 C14 1.398(4) . ?
C9 C10 1.409(4) . ?
C10 C11 1.398(4) . ?
C11 C12 1.392(4) . ?
C11 H13 0.9500 . ?
C12 C13 1.387(4) . ?
C12 H14 0.9500 . ?
C13 C14 1.387(4) . ?
C13 H15 0.9500 . ?
C14 H16 0.9500 . ?
C15 C16 1.419(3) . ?
C15 C35 1.420(3) . ?
C16 C32 1.396(3) . ?
C16 C17 1.508(3) . ?
C17 C18 1.410(4) . ?
C17 C28 1.409(4) . ?
C18 C22 1.396(4) . ?
C18 C19 1.521(4) . ?
C19 C21 1.528(4) . ?
C19 C20 1.535(4) . ?
C19 H23 1.0000 . ?
C20 H17 0.9800 . ?
C20 H18 0.9800 . ?
C20 H19 0.9800 . ?
C21 H22 0.9800 . ?
C21 H21 0.9800 . ?
C21 H20 0.9800 . ?
C22 C23 1.388(4) . ?
C22 H24 0.9500 . ?
C23 C27 1.387(4) . ?
C23 C24 1.526(4) . ?
C24 C25 1.505(5) . ?
C24 C26 1.520(5) . ?
C24 H25 1.0000 . ?
C25 H26 0.9800 . ?
C25 H28 0.9800 . ?
C25 H27 0.9800 . ?
C26 H31 0.9800 . ?
C26 H30 0.9800 . ?
C26 H29 0.9800 . ?
C27 C28 1.402(4) . ?
C27 H39 0.9500 . ?
C28 C29 1.523(4) . ?
C29 C31 1.526(4) . ?
C29 C30 1.535(4) . ?
C29 H32 1.0000 . ?
C30 H33 0.9800 . ?
C30 H34 0.9800 . ?
C30 H35 0.9800 . ?
C31 H37 0.9800 . ?
C31 H36 0.9800 . ?
C31 H38 0.9800 . ?
C32 C33 1.383(4) . ?
C32 H40 0.9500 . ?
C33 C34 1.387(3) . ?
C33 H41 0.9500 . ?
C34 C35 1.399(3) . ?
C34 H42 0.9500 . ?
C35 C36 1.513(3) . ?
C36 C44 1.408(3) . ?
C36 C37 1.418(3) . ?
C37 C38 1.395(3) . ?
C37 C48 1.527(3) . ?
C38 C39 1.394(4) . ?
C38 H43 0.9500 . ?
C39 C43 1.386(4) . ?
C39 C40 1.520(3) . ?
C40 C41 1.511(4) . ?
C40 C42 1.517(5) . ?
C40 H50 1.0000 . ?
C41 H46 0.9800 . ?
C41 H45 0.9800 . ?
C41 H44 0.9800 . ?
C42 H48 0.9800 . ?
C42 H47 0.9800 . ?
C42 H49 0.9800 . ?
C43 C44 1.399(3) . ?
C43 H58 0.9500 . ?
C44 C45 1.518(4) . ?
C45 C46 1.525(4) . ?
C45 C47 1.537(4) . ?
C45 H51 1.0000 . ?
C46 H53 0.9800 . ?
C46 H54 0.9800 . ?
C46 H52 0.9800 . ?
C47 H55 0.9800 . ?
C47 H56 0.9800 . ?
C47 H57 0.9800 . ?
C48 C49 1.526(3) . ?
C48 C50 1.532(4) . ?
C48 H65 1.0000 . ?
C49 H59 0.9800 . ?
C49 H60 0.9800 . ?
C49 H61 0.9800 . ?
C50 H64 0.9800 . ?
C50 H63 0.9800 . ?
C50 H62 0.9800 . ?
C51 C52 1.394(4) . ?
C51 C56 1.399(4) . ?
C52 C53 1.393(4) . ?
C52 H70 0.9500 . ?
C53 C54 1.382(4) . ?
C53 H69 0.9500 . ?
C54 C55 1.381(4) . ?
C54 H68 0.9500 . ?
C55 C56 1.386(4) . ?
C55 H66 0.9500 . ?
C56 H67 0.9500 . ?
C57 C62 1.389(4) . ?
C57 C58 1.396(4) . ?
C58 C59 1.387(4) . ?
C58 H75 0.9500 . ?
C59 C60 1.389(4) . ?
C59 H74 0.9500 . ?
C60 C61 1.380(4) . ?
C60 H73 0.9500 . ?
C61 C62 1.398(4) . ?
C61 H71 0.9500 . ?
C62 H72 0.9500 . ?

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
C2 Ir1 C1 38.95(15) . . ?
C2 Ir1 C5 80.48(14) . . ?
C1 Ir1 C5 87.00(12) . . ?
C2 Ir1 C6 95.94(13) . . ?
C1 Ir1 C6 79.41(13) . . ?
C5 Ir1 C6 35.49(13) . . ?
C2 Ir1 P1 95.24(10) . . ?
C1 Ir1 P1 94.73(9) . . ?
C5 Ir1 P1 170.91(10) . . ?
C6 Ir1 P1 153.59(10) . . ?
C2 Ir1 Sn1 173.24(11) . . ?
C1 Ir1 Sn1 146.63(12) . . ?
C5 Ir1 Sn1 102.29(10) . . ?
C6 Ir1 Sn1 89.73(9) . . ?
P1 Ir1 Sn1 81.120(17) . . ?
C10 Sn1 C15 114.89(9) . . ?
C10 Sn1 Cl1 96.76(7) . . ?
C15 Sn1 Cl1 103.89(6) . . ?
C10 Sn1 Ir1 96.10(7) . . ?
C15 Sn1 Ir1 127.06(6) . . ?
Cl1 Sn1 Ir1 114.246(17) . . ?
C51 P1 C57 101.84(12) . . ?
C51 P1 C9 108.32(12) . . ?
C57 P1 C9 100.53(11) . . ?
C51 P1 Ir1 115.55(8) . . ?
C57 P1 Ir1 118.55(9) . . ?
C9 P1 Ir1 110.59(8) . . ?
C2 C1 C8 120.0(4) . . ?
C2 C1 Ir1 69.42(18) . . ?
C8 C1 Ir1 115.1(2) . . ?
C2 C1 H12 120.0 . . ?
C8 C1 H12 120.0 . . ?
Ir1 C1 H12 85.9 . . ?
C1 C2 C3 125.1(3) . . ?
C1 C2 Ir1 71.6(2) . . ?
C3 C2 Ir1 109.9(2) . . ?
C1 C2 H11 117.5 . . ?
C3 C2 H11 117.5 . . ?
Ir1 C2 H11 88.4 . . ?
C2 C3 C4 113.1(3) . . ?
C2 C3 H10 109.0 . . ?
C4 C3 H10 109.0 . . ?
C2 C3 H9 109.0 . . ?
C4 C3 H9 109.0 . . ?
H10 C3 H9 107.8 . . ?
C5 C4 C3 113.4(3) . . ?
C5 C4 H1 108.9 . . ?
C3 C4 H1 108.9 . . ?
C5 C4 H8 108.9 . . ?
C3 C4 H8 108.9 . . ?
H1 C4 H8 107.7 . . ?
C6 C5 C4 125.6(3) . . ?
C6 C5 Ir1 73.74(19) . . ?
C4 C5 Ir1 111.7(2) . . ?
C6 C5 H7 117.2 . . ?
C4 C5 H7 117.2 . . ?
Ir1 C5 H7 84.4 . . ?
C5 C6 C7 125.7(3) . . ?
C5 C6 Ir1 70.77(19) . . ?
C7 C6 Ir1 108.2(2) . . ?
C5 C6 H6 117.1 . . ?
C7 C6 H6 117.1 . . ?
Ir1 C6 H6 91.1 . . ?
C6 C7 C8 112.0(3) . . ?
C6 C7 H5 109.2 . . ?
C8 C7 H5 109.2 . . ?
C6 C7 H2 109.2 . . ?
C8 C7 H2 109.2 . . ?
H5 C7 H2 107.9 . . ?
C1 C8 C7 110.5(3) . . ?
C1 C8 H3 109.5 . . ?
C7 C8 H3 109.5 . . ?
C1 C8 H4 109.5 . . ?
C7 C8 H4 109.5 . . ?
H3 C8 H4 108.1 . . ?
C14 C9 C10 120.6(2) . . ?
C14 C9 P1 123.1(2) . . ?
C10 C9 P1 116.22(18) . . ?
C11 C10 C9 118.0(2) . . ?
C11 C10 Sn1 125.76(19) . . ?
C9 C10 Sn1 115.58(18) . . ?
C12 C11 C10 121.3(3) . . ?
C12 C11 H13 119.4 . . ?
C10 C11 H13 119.4 . . ?
C13 C12 C11 119.8(3) . . ?
C13 C12 H14 120.1 . . ?
C11 C12 H14 120.1 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H15 119.8 . . ?
C12 C13 H15 119.8 . . ?
C13 C14 C9 119.8(3) . . ?
C13 C14 H16 120.1 . . ?
C9 C14 H16 120.1 . . ?
C16 C15 C35 118.1(2) . . ?
C16 C15 Sn1 122.24(17) . . ?
C35 C15 Sn1 119.29(17) . . ?
C32 C16 C15 119.7(2) . . ?
C32 C16 C17 115.2(2) . . ?
C15 C16 C17 124.8(2) . . ?
C18 C17 C28 119.7(2) . . ?
C18 C17 C16 118.1(2) . . ?
C28 C17 C16 121.5(2) . . ?
C22 C18 C17 119.0(2) . . ?
C22 C18 C19 118.2(2) . . ?
C17 C18 C19 122.5(2) . . ?
C18 C19 C21 114.6(2) . . ?
C18 C19 C20 109.9(2) . . ?
C21 C19 C20 109.2(2) . . ?
C18 C19 H23 107.6 . . ?
C21 C19 H23 107.6 . . ?
C20 C19 H23 107.6 . . ?
C19 C20 H17 109.5 . . ?
C19 C20 H18 109.5 . . ?
H17 C20 H18 109.5 . . ?
C19 C20 H19 109.5 . . ?
H17 C20 H19 109.5 . . ?
H18 C20 H19 109.5 . . ?
C19 C21 H22 109.5 . . ?
C19 C21 H21 109.5 . . ?
H22 C21 H21 109.5 . . ?
C19 C21 H20 109.5 . . ?
H22 C21 H20 109.5 . . ?
H21 C21 H20 109.5 . . ?
C23 C22 C18 122.2(3) . . ?
C23 C22 H24 118.9 . . ?
C18 C22 H24 118.9 . . ?
C27 C23 C22 118.1(3) . . ?
C27 C23 C24 122.7(3) . . ?
C22 C23 C24 119.2(3) . . ?
C25 C24 C26 112.4(3) . . ?
C25 C24 C23 113.1(3) . . ?
C26 C24 C23 110.8(3) . . ?
C25 C24 H25 106.7 . . ?
C26 C24 H25 106.7 . . ?
C23 C24 H25 106.7 . . ?
C24 C25 H26 109.5 . . ?
C24 C25 H28 109.5 . . ?
H26 C25 H28 109.5 . . ?
C24 C25 H27 109.5 . . ?
H26 C25 H27 109.5 . . ?
H28 C25 H27 109.5 . . ?
C24 C26 H31 109.5 . . ?
C24 C26 H30 109.5 . . ?
H31 C26 H30 109.5 . . ?
C24 C26 H29 109.5 . . ?
H31 C26 H29 109.5 . . ?
H30 C26 H29 109.5 . . ?
C23 C27 C28 122.1(3) . . ?
C23 C27 H39 119.0 . . ?
C28 C27 H39 119.0 . . ?
C27 C28 C17 118.9(2) . . ?
C27 C28 C29 119.0(2) . . ?
C17 C28 C29 122.1(2) . . ?
C28 C29 C31 113.5(2) . . ?
C28 C29 C30 109.8(3) . . ?
C31 C29 C30 109.0(2) . . ?
C28 C29 H32 108.1 . . ?
C31 C29 H32 108.1 . . ?
C30 C29 H32 108.1 . . ?
C29 C30 H33 109.5 . . ?
C29 C30 H34 109.5 . . ?
H33 C30 H34 109.5 . . ?
C29 C30 H35 109.5 . . ?
H33 C30 H35 109.5 . . ?
H34 C30 H35 109.5 . . ?
C29 C31 H37 109.5 . . ?
C29 C31 H36 109.5 . . ?
H37 C31 H36 109.5 . . ?
C29 C31 H38 109.5 . . ?
H37 C31 H38 109.5 . . ?
H36 C31 H38 109.5 . . ?
C33 C32 C16 121.8(2) . . ?
C33 C32 H40 119.1 . . ?
C16 C32 H40 119.1 . . ?
C32 C33 C34 118.9(2) . . ?
C32 C33 H41 120.5 . . ?
C34 C33 H41 120.5 . . ?
C33 C34 C35 121.2(2) . . ?
C33 C34 H42 119.4 . . ?
C35 C34 H42 119.4 . . ?
C34 C35 C15 120.0(2) . . ?
C34 C35 C36 114.1(2) . . ?
C15 C35 C36 125.6(2) . . ?
C44 C36 C37 119.4(2) . . ?
C44 C36 C35 120.7(2) . . ?
C37 C36 C35 119.0(2) . . ?
C38 C37 C36 119.1(2) . . ?
C38 C37 C48 119.6(2) . . ?
C36 C37 C48 121.2(2) . . ?
C39 C38 C37 122.3(2) . . ?
C39 C38 H43 118.9 . . ?
C37 C38 H43 118.9 . . ?
C43 C39 C38 117.7(2) . . ?
C43 C39 C40 120.3(2) . . ?
C38 C39 C40 122.0(2) . . ?
C41 C40 C42 109.3(3) . . ?
C41 C40 C39 111.1(2) . . ?
C42 C40 C39 112.7(2) . . ?
C41 C40 H50 107.9 . . ?
C42 C40 H50 107.9 . . ?
C39 C40 H50 107.9 . . ?
C40 C41 H46 109.5 . . ?
C40 C41 H45 109.5 . . ?
H46 C41 H45 109.5 . . ?
C40 C41 H44 109.5 . . ?
H46 C41 H44 109.5 . . ?
H45 C41 H44 109.5 . . ?
C40 C42 H48 109.5 . . ?
C40 C42 H47 109.5 . . ?
H48 C42 H47 109.5 . . ?
C40 C42 H49 109.5 . . ?
H48 C42 H49 109.5 . . ?
H47 C42 H49 109.5 . . ?
C39 C43 C44 122.6(2) . . ?
C39 C43 H58 118.7 . . ?
C44 C43 H58 118.7 . . ?
C43 C44 C36 119.0(2) . . ?
C43 C44 C45 117.9(2) . . ?
C36 C44 C45 123.1(2) . . ?
C44 C45 C46 111.9(2) . . ?
C44 C45 C47 111.5(2) . . ?
C46 C45 C47 110.6(2) . . ?
C44 C45 H51 107.5 . . ?
C46 C45 H51 107.5 . . ?
C47 C45 H51 107.5 . . ?
C45 C46 H53 109.5 . . ?
C45 C46 H54 109.5 . . ?
H53 C46 H54 109.5 . . ?
C45 C46 H52 109.5 . . ?
H53 C46 H52 109.5 . . ?
H54 C46 H52 109.5 . . ?
C45 C47 H55 109.5 . . ?
C45 C47 H56 109.5 . . ?
H55 C47 H56 109.5 . . ?
C45 C47 H57 109.5 . . ?
H55 C47 H57 109.5 . . ?
H56 C47 H57 109.5 . . ?
C37 C48 C49 113.8(2) . . ?
C37 C48 C50 110.7(2) . . ?
C49 C48 C50 110.5(2) . . ?
C37 C48 H65 107.2 . . ?
C49 C48 H65 107.2 . . ?
C50 C48 H65 107.2 . . ?
C48 C49 H59 109.5 . . ?
C48 C49 H60 109.5 . . ?
H59 C49 H60 109.5 . . ?
C48 C49 H61 109.5 . . ?
H59 C49 H61 109.5 . . ?
H60 C49 H61 109.5 . . ?
C48 C50 H64 109.5 . . ?
C48 C50 H63 109.5 . . ?
H64 C50 H63 109.5 . . ?
C48 C50 H62 109.5 . . ?
H64 C50 H62 109.5 . . ?
H63 C50 H62 109.5 . . ?
C52 C51 C56 118.5(2) . . ?
C52 C51 P1 119.1(2) . . ?
C56 C51 P1 122.1(2) . . ?
C53 C52 C51 120.7(3) . . ?
C53 C52 H70 119.7 . . ?
C51 C52 H70 119.7 . . ?
C54 C53 C52 120.0(3) . . ?
C54 C53 H69 120.0 . . ?
C52 C53 H69 120.0 . . ?
C55 C54 C53 119.9(3) . . ?
C55 C54 H68 120.1 . . ?
C53 C54 H68 120.0 . . ?
C54 C55 C56 120.5(3) . . ?
C54 C55 H66 119.8 . . ?
C56 C55 H66 119.8 . . ?
C55 C56 C51 120.4(3) . . ?
C55 C56 H67 119.8 . . ?
C51 C56 H67 119.8 . . ?
C62 C57 C58 119.1(2) . . ?
C62 C57 P1 119.79(19) . . ?
C58 C57 P1 120.93(19) . . ?
C59 C58 C57 120.3(2) . . ?
C59 C58 H75 119.9 . . ?
C57 C58 H75 119.9 . . ?
C58 C59 C60 120.2(3) . . ?
C58 C59 H74 119.9 . . ?
C60 C59 H74 119.9 . . ?
C61 C60 C59 120.0(3) . . ?
C61 C60 H73 120.0 . . ?
C59 C60 H73 120.0 . . ?
C60 C61 C62 119.9(3) . . ?
C60 C61 H71 120.0 . . ?
C62 C61 H71 120.0 . . ?
C57 C62 C61 120.4(3) . . ?
C57 C62 H72 119.8 . . ?
C61 C62 H72 119.8 . . ?

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
C8 C1 C2 C3 -6.0(5) . . . . ?
Ir1 C1 C2 C3 101.8(3) . . . . ?
C8 C1 C2 Ir1 -107.8(3) . . . . ?
C1 C2 C3 C4 -43.4(5) . . . . ?
Ir1 C2 C3 C4 37.6(4) . . . . ?
C2 C3 C4 C5 -31.7(5) . . . . ?
C3 C4 C5 C6 95.1(4) . . . . ?
C3 C4 C5 Ir1 10.0(4) . . . . ?
C4 C5 C6 C7 -6.3(6) . . . . ?
Ir1 C5 C6 C7 99.0(3) . . . . ?
C4 C5 C6 Ir1 -105.4(3) . . . . ?
C5 C6 C7 C8 -38.7(5) . . . . ?
Ir1 C6 C7 C8 40.3(4) . . . . ?
C2 C1 C8 C7 99.7(4) . . . . ?
Ir1 C1 C8 C7 20.0(5) . . . . ?
C6 C7 C8 C1 -40.6(5) . . . . ?
C51 P1 C9 C14 -14.0(2) . . . . ?
C57 P1 C9 C14 92.4(2) . . . . ?
Ir1 P1 C9 C14 -141.55(19) . . . . ?
C51 P1 C9 C10 169.44(18) . . . . ?
C57 P1 C9 C10 -84.2(2) . . . . ?
Ir1 P1 C9 C10 41.9(2) . . . . ?
C14 C9 C10 C11 1.9(4) . . . . ?
P1 C9 C10 C11 178.61(18) . . . . ?
C14 C9 C10 Sn1 173.26(18) . . . . ?
P1 C9 C10 Sn1 -10.1(2) . . . . ?
C9 C10 C11 C12 1.2(4) . . . . ?
Sn1 C10 C11 C12 -169.11(19) . . . . ?
C10 C11 C12 C13 -2.4(4) . . . . ?
C11 C12 C13 C14 0.3(4) . . . . ?
C12 C13 C14 C9 2.8(4) . . . . ?
C10 C9 C14 C13 -4.0(4) . . . . ?
P1 C9 C14 C13 179.6(2) . . . . ?
C35 C15 C16 C32 6.0(4) . . . . ?
Sn1 C15 C16 C32 -166.72(19) . . . . ?
C35 C15 C16 C17 -166.9(2) . . . . ?
Sn1 C15 C16 C17 20.3(3) . . . . ?
C32 C16 C17 C18 -92.7(3) . . . . ?
C15 C16 C17 C18 80.6(3) . . . . ?
C32 C16 C17 C28 78.1(3) . . . . ?
C15 C16 C17 C28 -108.7(3) . . . . ?
C28 C17 C18 C22 0.7(4) . . . . ?
C16 C17 C18 C22 171.5(2) . . . . ?
C28 C17 C18 C19 -173.1(2) . . . . ?
C16 C17 C18 C19 -2.2(4) . . . . ?
C22 C18 C19 C21 38.0(4) . . . . ?
C17 C18 C19 C21 -148.1(3) . . . . ?
C22 C18 C19 C20 -85.4(3) . . . . ?
C17 C18 C19 C20 88.4(3) . . . . ?
C17 C18 C22 C23 -1.3(4) . . . . ?
C19 C18 C22 C23 172.7(3) . . . . ?
C18 C22 C23 C27 1.2(4) . . . . ?
C18 C22 C23 C24 -179.5(3) . . . . ?
C27 C23 C24 C25 -42.6(4) . . . . ?
C22 C23 C24 C25 138.1(3) . . . . ?
C27 C23 C24 C26 84.6(4) . . . . ?
C22 C23 C24 C26 -94.7(4) . . . . ?
C22 C23 C27 C28 -0.4(4) . . . . ?
C24 C23 C27 C28 -179.7(3) . . . . ?
C23 C27 C28 C17 -0.2(4) . . . . ?
C23 C27 C28 C29 -177.3(3) . . . . ?
C18 C17 C28 C27 0.1(4) . . . . ?
C16 C17 C28 C27 -170.5(2) . . . . ?
C18 C17 C28 C29 177.1(2) . . . . ?
C16 C17 C28 C29 6.5(4) . . . . ?
C27 C28 C29 C31 -45.8(3) . . . . ?
C17 C28 C29 C31 137.2(3) . . . . ?
C27 C28 C29 C30 76.4(3) . . . . ?
C17 C28 C29 C30 -100.6(3) . . . . ?
C15 C16 C32 C33 -2.6(4) . . . . ?
C17 C16 C32 C33 171.1(2) . . . . ?
C16 C32 C33 C34 -2.5(4) . . . . ?
C32 C33 C34 C35 3.9(4) . . . . ?
C33 C34 C35 C15 -0.3(4) . . . . ?
C33 C34 C35 C36 -174.4(2) . . . . ?
C16 C15 C35 C34 -4.6(3) . . . . ?
Sn1 C15 C35 C34 168.34(18) . . . . ?
C16 C15 C35 C36 168.7(2) . . . . ?
Sn1 C15 C35 C36 -18.3(3) . . . . ?
C34 C35 C36 C44 -66.6(3) . . . . ?
C15 C35 C36 C44 119.7(3) . . . . ?
C34 C35 C36 C37 102.7(3) . . . . ?
C15 C35 C36 C37 -71.0(3) . . . . ?
C44 C36 C37 C38 0.0(3) . . . . ?
C35 C36 C37 C38 -169.5(2) . . . . ?
C44 C36 C37 C48 176.2(2) . . . . ?
C35 C36 C37 C48 6.8(3) . . . . ?
C36 C37 C38 C39 0.5(4) . . . . ?
C48 C37 C38 C39 -175.8(2) . . . . ?
C37 C38 C39 C43 -1.1(4) . . . . ?
C37 C38 C39 C40 177.2(2) . . . . ?
C43 C39 C40 C41 100.7(3) . . . . ?
C38 C39 C40 C41 -77.6(4) . . . . ?
C43 C39 C40 C42 -136.3(3) . . . . ?
C38 C39 C40 C42 45.4(4) . . . . ?
C38 C39 C43 C44 1.2(4) . . . . ?
C40 C39 C43 C44 -177.1(2) . . . . ?
C39 C43 C44 C36 -0.8(4) . . . . ?
C39 C43 C44 C45 178.6(2) . . . . ?
C37 C36 C44 C43 0.1(3) . . . . ?
C35 C36 C44 C43 169.4(2) . . . . ?
C37 C36 C44 C45 -179.2(2) . . . . ?
C35 C36 C44 C45 -9.9(4) . . . . ?
C43 C44 C45 C46 -65.2(3) . . . . ?
C36 C44 C45 C46 114.1(3) . . . . ?
C43 C44 C45 C47 59.3(3) . . . . ?
C36 C44 C45 C47 -121.4(3) . . . . ?
C38 C37 C48 C49 -34.2(3) . . . . ?
C36 C37 C48 C49 149.5(2) . . . . ?
C38 C37 C48 C50 90.9(3) . . . . ?
C36 C37 C48 C50 -85.4(3) . . . . ?
C57 P1 C51 C52 40.4(2) . . . . ?
C9 P1 C51 C52 145.8(2) . . . . ?
Ir1 P1 C51 C52 -89.5(2) . . . . ?
C57 P1 C51 C56 -145.1(2) . . . . ?
C9 P1 C51 C56 -39.7(2) . . . . ?
Ir1 P1 C51 C56 85.0(2) . . . . ?
C56 C51 C52 C53 1.8(4) . . . . ?
P1 C51 C52 C53 176.5(2) . . . . ?
C51 C52 C53 C54 0.3(4) . . . . ?
C52 C53 C54 C55 -1.5(5) . . . . ?
C53 C54 C55 C56 0.5(5) . . . . ?
C54 C55 C56 C51 1.7(5) . . . . ?
C52 C51 C56 C55 -2.8(4) . . . . ?
P1 C51 C56 C55 -177.4(2) . . . . ?
C51 P1 C57 C62 -145.5(2) . . . . ?
C9 P1 C57 C62 103.1(2) . . . . ?
Ir1 P1 C57 C62 -17.5(2) . . . . ?
C51 P1 C57 C58 39.4(2) . . . . ?
C9 P1 C57 C58 -72.1(2) . . . . ?
Ir1 P1 C57 C58 167.37(18) . . . . ?
C62 C57 C58 C59 1.3(4) . . . . ?
P1 C57 C58 C59 176.5(2) . . . . ?
C57 C58 C59 C60 -1.5(4) . . . . ?
C58 C59 C60 C61 0.3(4) . . . . ?
C59 C60 C61 C62 1.0(4) . . . . ?
C58 C57 C62 C61 -0.1(4) . . . . ?
P1 C57 C62 C61 -175.3(2) . . . . ?
C60 C61 C62 C57 -1.1(4) . . . . ?

_refine_diff_density_max         2.133
_refine_diff_density_min         -1.740
_refine_diff_density_rms         0.094

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_KK124_0m
_database_code_depnum_ccdc_archive 'CCDC 1575453'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C126 H168 Au2 Cl2 P2 Sn2'
_chemical_formula_weight         2446.75

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'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   16.4035(16)
_cell_length_b                   19.1262(19)
_cell_length_c                   21.0975(19)
_cell_angle_alpha                115.474(5)
_cell_angle_beta                 95.227(5)
_cell_angle_gamma                94.065(5)
_cell_volume                     5905.9(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9756
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.08

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_F_000             2492
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.208
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.105
_exptl_absorpt_coefficient_mu    3.012
_shelx_estimated_absorpt_T_min   0.573
_shelx_estimated_absorpt_T_max   0.743
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6223
_exptl_absorpt_correction_T_max  0.8785
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            97945
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.541
_diffrn_reflns_theta_max         27.147
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             25901
_reflns_number_gt                19713
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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)+(0.0373P)²+2.9818P] 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         25901
_refine_ls_number_parameters     1245
_refine_ls_number_restraints     337
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0809
_refine_ls_wR_factor_gt          0.0746
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.025
_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
Au1 Au 0.83816(2) 0.19758(2) 0.31334(2) 0.01517(4) Uani 1 1 d . . . . .
Au2 Au 0.75785(2) 0.13714(2) 0.39721(2) 0.01538(4) Uani 1 1 d . . . . .
Sn1 Sn 0.67881(2) 0.25143(2) 0.40419(2) 0.01383(6) Uani 1 1 d . . . . .
Sn2 Sn 0.82295(2) 0.04812(2) 0.24073(2) 0.01364(6) Uani 1 1 d . . . . .
Cl1 Cl 0.68923(7) -0.00532(6) 0.24964(5) 0.0216(2) Uani 1 1 d . . . . .
Cl2 Cl 0.66629(6) 0.24889(6) 0.28813(5) 0.0205(2) Uani 1 1 d . . . . .
P1 P 0.88761(7) 0.32681(6) 0.38659(5) 0.0159(2) Uani 1 1 d . . . . .
P2 P 0.84915(7) 0.06319(6) 0.42318(5) 0.0159(2) Uani 1 1 d . . . . .
C1 C 0.8280(3) 0.3907(2) 0.4530(2) 0.0166(9) Uani 1 1 d . . . . .
C2 C 0.8632(3) 0.4684(2) 0.4913(2) 0.0210(10) Uani 1 1 d . . . . .
H2 H 0.9173 0.4831 0.4851 0.025 Uiso 1 1 calc R U . . .
C160 C 0.4578(4) 0.2687(3) 0.1248(2) 0.0446(13) Uani 1 1 d . U . . .
H16Z H 0.4406 0.2124 0.0917 0.054 Uiso 0.644(10) 1 calc R U P A 1
H16Y H 0.4735 0.2175 0.0913 0.054 Uiso 0.356(10) 1 calc R U P A 2
C145 C 0.4692(12) 0.5869(11) 0.0795(9) 0.316(10) Uani 1 1 d D U . . .
H14A H 0.4339 0.5430 0.0409 0.473 Uiso 1 1 calc R U . . .
H14B H 0.4352 0.6271 0.1059 0.473 Uiso 1 1 calc R U . . .
H14C H 0.5100 0.6090 0.0597 0.473 Uiso 1 1 calc R U . . .
C144 C 0.5142(13) 0.5582(11) 0.1298(10) 0.294(8) Uani 1 1 d D U . . .
H14O H 0.4727 0.5350 0.1488 0.353 Uiso 1 1 calc R U . . .
H14P H 0.5474 0.5169 0.1025 0.353 Uiso 1 1 calc R U . . .
C143 C 0.5640(10) 0.6160(10) 0.1843(8) 0.238(6) Uani 1 1 d D U . . .
H14D H 0.5299 0.6504 0.2183 0.285 Uiso 1 1 calc R U . . .
H14E H 0.5961 0.6477 0.1662 0.285 Uiso 1 1 calc R U . . .
C142 C 0.6247(10) 0.5836(9) 0.2235(7) 0.231(6) Uani 1 1 d D U . . .
H14X H 0.5935 0.5483 0.2385 0.277 Uiso 1 1 calc R U . . .
H14Y H 0.6632 0.5537 0.1915 0.277 Uiso 1 1 calc R U . . .
C141 C 0.6671(9) 0.6446(9) 0.2807(7) 0.211(6) Uani 1 1 d D U . . .
H14T H 0.6257 0.6683 0.3124 0.253 Uiso 1 1 calc R U . . .
H14Z H 0.6856 0.6829 0.2635 0.253 Uiso 1 1 calc R U . . .
C140 C 0.7357(7) 0.6426(5) 0.3251(4) 0.113(3) Uani 1 1 d D U . . .
H14W H 0.7849 0.6372 0.3010 0.170 Uiso 1 1 calc R U . . .
H14R H 0.7253 0.5980 0.3360 0.170 Uiso 1 1 calc R U . . .
H14S H 0.7446 0.6910 0.3693 0.170 Uiso 1 1 calc R U . . .
C134 C 1.0048(9) 0.6162(6) 0.1763(5) 0.146(4) Uani 1 1 d . U . . .
H13A H 1.0300 0.6652 0.1771 0.175 Uiso 1 1 calc R U . . .
H13B H 1.0213 0.6175 0.2231 0.175 Uiso 1 1 calc R U . . .
C133 C 1.0359(7) 0.5479(5) 0.1198(4) 0.110(3) Uani 1 1 d . U . . .
H13C H 1.0192 0.5467 0.0730 0.132 Uiso 1 1 calc R U . . .
H13D H 1.0105 0.4990 0.1190 0.132 Uiso 1 1 calc R U . . .
C132 C 1.1299(8) 0.5522(6) 0.1324(5) 0.140(4) Uani 1 1 d . U . . .
H13E H 1.1548 0.6018 0.1341 0.168 Uiso 1 1 calc R U . . .
H13F H 1.1461 0.5532 0.1792 0.168 Uiso 1 1 calc R U . . .
C131 C 1.1629(9) 0.4892(6) 0.0798(5) 0.157(4) Uani 1 1 d . U . . .
H13G H 1.1464 0.4877 0.0328 0.189 Uiso 1 1 calc R U . . .
H13H H 1.1390 0.4395 0.0785 0.189 Uiso 1 1 calc R U . . .
C130 C 1.2595(9) 0.4958(7) 0.0935(5) 0.174(5) Uani 1 1 d . U . . .
H13I H 1.2800 0.4610 0.0501 0.260 Uiso 1 1 calc R U . . .
H13J H 1.2756 0.4809 0.1314 0.260 Uiso 1 1 calc R U . . .
H13K H 1.2831 0.5497 0.1076 0.260 Uiso 1 1 calc R U . . .
C125 C 0.7010(8) 0.4282(8) 0.0691(8) 0.197(6) Uani 1 1 d D U . . .
H12X H 0.6413 0.4184 0.0543 0.296 Uiso 1 1 calc R U . . .
H12Y H 0.7231 0.4766 0.0682 0.296 Uiso 1 1 calc R U . . .
H12Z H 0.7125 0.4329 0.1173 0.296 Uiso 1 1 calc R U . . .
C124 C 0.7394(7) 0.3646(7) 0.0217(8) 0.170(5) Uani 1 1 d D U . . .
H12S H 0.7146 0.3163 0.0226 0.204 Uiso 1 1 calc R U . . .
H12T H 0.7243 0.3594 -0.0267 0.204 Uiso 1 1 calc R U . . .
C123 C 0.8259(6) 0.3670(6) 0.0331(6) 0.131(3) Uani 1 1 d D U . . .
H12U H 0.8407 0.3684 0.0802 0.157 Uiso 1 1 calc R U . . .
H12V H 0.8508 0.4170 0.0356 0.157 Uiso 1 1 calc R U . . .
C122 C 0.8665(6) 0.3027(5) -0.0196(5) 0.106(3) Uani 1 1 d D U . . .
H12C H 0.8398 0.2524 -0.0240 0.128 Uiso 1 1 calc R U . . .
H12D H 0.8543 0.3030 -0.0663 0.128 Uiso 1 1 calc R U . . .
C121 C 0.9552(6) 0.3041(5) -0.0053(5) 0.105(3) Uani 1 1 d D U . . .
H12E H 0.9673 0.2992 0.0393 0.126 Uiso 1 1 calc R U . . .
H12F H 0.9820 0.3558 0.0026 0.126 Uiso 1 1 calc R U . . .
C120 C 0.9941(7) 0.2427(5) -0.0614(4) 0.114(3) Uani 1 1 d D U . . .
H12G H 0.9648 0.2308 -0.1081 0.171 Uiso 1 1 calc R U . . .
H12H H 0.9909 0.1953 -0.0541 0.171 Uiso 1 1 calc R U . . .
H12I H 1.0520 0.2616 -0.0587 0.171 Uiso 1 1 calc R U . . .
C106 C 0.4549(5) -0.1748(4) 0.1702(4) 0.097(3) Uani 1 1 d . U . . .
H10A H 0.4001 -0.1967 0.1727 0.145 Uiso 1 1 calc R U . . .
H10B H 0.4636 -0.1187 0.2020 0.145 Uiso 1 1 calc R U . . .
H10C H 0.4971 -0.2007 0.1848 0.145 Uiso 1 1 calc R U . . .
C3 C 0.8213(3) 0.5243(2) 0.5379(2) 0.0206(9) Uani 1 1 d . . . . .
H3 H 0.8466 0.5766 0.5640 0.025 Uiso 1 1 calc R U . . .
C4 C 0.7422(3) 0.5032(2) 0.5460(2) 0.0220(10) Uani 1 1 d . . . . .
H4 H 0.7125 0.5410 0.5779 0.026 Uiso 1 1 calc R U . . .
C5 C 0.7060(3) 0.4262(2) 0.5073(2) 0.0165(9) Uani 1 1 d . . . . .
H5 H 0.6511 0.4127 0.5128 0.020 Uiso 1 1 calc R U . . .
C6 C 0.7474(2) 0.3681(2) 0.46059(19) 0.0143(8) Uani 1 1 d . . . . .
C7 C 0.8964(3) -0.0158(2) 0.28498(19) 0.0151(8) Uani 1 1 d . . . . .
C8 C 0.9083(3) -0.0015(2) 0.3568(2) 0.0160(9) Uani 1 1 d . . . . .
C9 C 0.9215(3) 0.1346(2) 0.4981(2) 0.0181(9) Uani 1 1 d . . . . .
C10 C 0.8865(3) 0.1936(2) 0.5514(2) 0.0192(9) Uani 1 1 d . . . . .
H10 H 0.8283 0.1933 0.5480 0.023 Uiso 1 1 calc R U . . .
C11 C 0.9371(3) 0.2519(2) 0.6087(2) 0.0245(10) Uani 1 1 d . . . . .
H11 H 0.9133 0.2916 0.6445 0.029 Uiso 1 1 calc R U . . .
C12 C 1.0215(3) 0.2528(2) 0.6143(2) 0.0255(10) Uani 1 1 d . . . . .
H12 H 1.0559 0.2927 0.6540 0.031 Uiso 1 1 calc R U . . .
C13 C 1.0561(3) 0.1948(2) 0.5614(2) 0.0262(10) Uani 1 1 d . . . . .
H13 H 1.1142 0.1951 0.5651 0.031 Uiso 1 1 calc R U . . .
C14 C 1.0063(3) 0.1366(2) 0.5034(2) 0.0204(9) Uani 1 1 d . . . . .
H14 H 1.0306 0.0979 0.4672 0.024 Uiso 1 1 calc R U . . .
C15 C 0.8053(3) -0.0062(2) 0.4529(2) 0.0168(9) Uani 1 1 d . . . . .
C16 C 0.7482(3) -0.0678(2) 0.4049(2) 0.0237(10) Uani 1 1 d . . . . .
H16 H 0.7322 -0.0715 0.3590 0.028 Uiso 1 1 calc R U . . .
C17 C 0.7144(3) -0.1239(3) 0.4234(3) 0.0305(11) Uani 1 1 d . . . . .
H17 H 0.6747 -0.1653 0.3906 0.037 Uiso 1 1 calc R U . . .
C18 C 0.7385(3) -0.1194(3) 0.4896(2) 0.0274(11) Uani 1 1 d . . . . .
H18 H 0.7159 -0.1581 0.5022 0.033 Uiso 1 1 calc R U . . .
C19 C 0.7953(3) -0.0587(3) 0.5375(2) 0.0263(10) Uani 1 1 d . . . . .
H19 H 0.8115 -0.0554 0.5832 0.032 Uiso 1 1 calc R U . . .
C20 C 0.8287(3) -0.0024(2) 0.5189(2) 0.0206(9) Uani 1 1 d . . . . .
H20 H 0.8681 0.0390 0.5520 0.025 Uiso 1 1 calc R U . . .
C21 C 0.9580(3) -0.0456(2) 0.3779(2) 0.0204(9) Uani 1 1 d . . . . .
H21 H 0.9652 -0.0356 0.4263 0.024 Uiso 1 1 calc R U . . .
C22 C 0.9974(3) -0.1035(2) 0.3305(2) 0.0216(9) Uani 1 1 d . . . . .
H22 H 1.0326 -0.1319 0.3462 0.026 Uiso 1 1 calc R U . . .
C23 C 0.9845(3) -0.1191(2) 0.2596(2) 0.0223(10) Uani 1 1 d . . . . .
H23 H 1.0101 -0.1594 0.2260 0.027 Uiso 1 1 calc R U . . .
C24 C 0.9347(3) -0.0763(2) 0.2376(2) 0.0186(9) Uani 1 1 d . . . . .
H24 H 0.9261 -0.0883 0.1887 0.022 Uiso 1 1 calc R U . . .
C25 C 0.8470(3) -0.0143(2) 0.13124(19) 0.0161(9) Uani 1 1 d . . . . .
C26 C 0.7982(3) -0.0830(2) 0.0789(2) 0.0191(9) Uani 1 1 d . . . . .
C27 C 0.7119(3) -0.1088(2) 0.0842(2) 0.0223(10) Uani 1 1 d . . . . .
C28 C 0.6941(3) -0.1731(2) 0.0987(2) 0.0268(11) Uani 1 1 d . . . . .
C29 C 0.6130(3) -0.1974(3) 0.0988(2) 0.0329(12) Uani 1 1 d . . . . .
H29 H 0.6009 -0.2415 0.1076 0.039 Uiso 1 1 calc R U . . .
C30 C 0.5484(3) -0.1599(3) 0.0867(3) 0.0343(12) Uani 1 1 d . . . . .
C31 C 0.5672(3) -0.0970(3) 0.0721(2) 0.0360(12) Uani 1 1 d . . . . .
H31 H 0.5235 -0.0711 0.0631 0.043 Uiso 1 1 calc R U . . .
C32 C 0.6475(3) -0.0705(2) 0.0703(2) 0.0250(10) Uani 1 1 d . . . . .
C33 C 0.6640(3) -0.0030(2) 0.0516(2) 0.0282(11) Uani 1 1 d . . . . .
H33 H 0.7251 0.0123 0.0608 0.034 Uiso 1 1 calc R U . . .
C34 C 0.6376(4) -0.0293(3) -0.0275(3) 0.0457(14) Uani 1 1 d . . . . .
H34A H 0.6666 -0.0733 -0.0552 0.069 Uiso 1 1 calc R U . . .
H34B H 0.6513 0.0141 -0.0393 0.069 Uiso 1 1 calc R U . . .
H34C H 0.5780 -0.0454 -0.0388 0.069 Uiso 1 1 calc R U . . .
C35 C 0.6249(4) 0.0690(3) 0.0973(3) 0.0422(13) Uani 1 1 d . . . . .
H35A H 0.6410 0.1118 0.0856 0.063 Uiso 1 1 calc R U . . .
H35B H 0.6438 0.0845 0.1475 0.063 Uiso 1 1 calc R U . . .
H35C H 0.5647 0.0567 0.0883 0.063 Uiso 1 1 calc R U . . .
C36 C 0.4611(4) -0.1877(3) 0.0927(3) 0.0548(17) Uani 1 1 d . U . . .
H36 H 0.4515 -0.2453 0.0622 0.066 Uiso 1 1 calc R U . . .
C37 C 0.3936(4) -0.1531(4) 0.0681(6) 0.113(3) Uani 1 1 d . U . . .
H37A H 0.3941 -0.1668 0.0177 0.170 Uiso 1 1 calc R U . . .
H37B H 0.4021 -0.0962 0.0955 0.170 Uiso 1 1 calc R U . . .
H37C H 0.3404 -0.1737 0.0749 0.170 Uiso 1 1 calc R U . . .
C38 C 0.7615(3) -0.2152(2) 0.1160(2) 0.0318(12) Uani 1 1 d . . . . .
H38 H 0.8158 -0.1864 0.1182 0.038 Uiso 1 1 calc R U . . .
C39 C 0.7583(4) -0.2160(3) 0.1872(3) 0.0422(14) Uani 1 1 d . . . . .
H39A H 0.7076 -0.2476 0.1853 0.063 Uiso 1 1 calc R U . . .
H39B H 0.7590 -0.1625 0.2238 0.063 Uiso 1 1 calc R U . . .
H39C H 0.8062 -0.2384 0.1985 0.063 Uiso 1 1 calc R U . . .
C40 C 0.7575(4) -0.2990(3) 0.0570(3) 0.0455(14) Uani 1 1 d . . . . .
H40A H 0.7634 -0.2972 0.0119 0.068 Uiso 1 1 calc R U . . .
H40B H 0.7043 -0.3284 0.0529 0.068 Uiso 1 1 calc R U . . .
H40C H 0.8022 -0.3246 0.0686 0.068 Uiso 1 1 calc R U . . .
C41 C 0.8288(3) -0.1271(2) 0.0159(2) 0.0263(11) Uani 1 1 d . . . . .
H41 H 0.7959 -0.1726 -0.0193 0.032 Uiso 1 1 calc R U . . .
C42 C 0.9061(3) -0.1061(2) 0.0035(2) 0.0266(11) Uani 1 1 d . . . . .
H42 H 0.9273 -0.1384 -0.0385 0.032 Uiso 1 1 calc R U . . .
C43 C 0.9516(3) -0.0381(2) 0.0525(2) 0.0228(10) Uani 1 1 d . . . . .
H43 H 1.0042 -0.0232 0.0435 0.027 Uiso 1 1 calc R U . . .
C44 C 0.9225(3) 0.0100(2) 0.11593(19) 0.0171(9) Uani 1 1 d . . . . .
C45 C 0.9751(3) 0.0881(2) 0.15908(19) 0.0180(9) Uani 1 1 d . . . . .
C46 C 0.9467(3) 0.1561(2) 0.1575(2) 0.0208(10) Uani 1 1 d . . . . .
C47 C 1.0025(3) 0.2242(2) 0.1851(2) 0.0236(10) Uani 1 1 d . . . . .
H47 H 0.9840 0.2703 0.1854 0.028 Uiso 1 1 calc R U . . .
C48 C 1.0842(3) 0.2273(2) 0.2121(2) 0.0233(10) Uani 1 1 d . . . . .
C49 C 1.1079(3) 0.1614(2) 0.2153(2) 0.0239(10) Uani 1 1 d . . . . .
H49 H 1.1626 0.1633 0.2356 0.029 Uiso 1 1 calc R U . . .
C50 C 1.0553(3) 0.0915(2) 0.1899(2) 0.0195(9) Uani 1 1 d . . . . .
C51 C 1.0882(3) 0.0221(2) 0.1965(2) 0.0243(10) Uani 1 1 d . . . . .
H51 H 1.0418 -0.0212 0.1789 0.029 Uiso 1 1 calc R U . . .
C52 C 1.1169(3) 0.0428(3) 0.2749(2) 0.0297(11) Uani 1 1 d . . . . .
H52A H 1.1312 -0.0041 0.2789 0.045 Uiso 1 1 calc R U . . .
H52B H 1.0723 0.0634 0.3030 0.045 Uiso 1 1 calc R U . . .
H52C H 1.1653 0.0824 0.2925 0.045 Uiso 1 1 calc R U . . .
C53 C 1.1575(3) -0.0075(3) 0.1522(2) 0.0327(12) Uani 1 1 d . . . . .
H53A H 1.1380 -0.0216 0.1025 0.049 Uiso 1 1 calc R U . . .
H53B H 1.1746 -0.0535 0.1566 0.049 Uiso 1 1 calc R U . . .
H53C H 1.2045 0.0335 0.1691 0.049 Uiso 1 1 calc R U . . .
C54 C 1.1425(3) 0.3026(3) 0.2354(2) 0.0313(12) Uani 1 1 d . . . . .
H54 H 1.1162 0.3458 0.2705 0.038 Uiso 1 1 calc R U . . .
C55 C 1.1522(4) 0.3217(3) 0.1730(3) 0.0528(17) Uani 1 1 d . . . . .
H55A H 1.1760 0.2795 0.1366 0.079 Uiso 1 1 calc R U . . .
H55B H 1.1888 0.3707 0.1894 0.079 Uiso 1 1 calc R U . . .
H55C H 1.0981 0.3272 0.1530 0.079 Uiso 1 1 calc R U . . .
C56 C 1.2269(3) 0.3022(3) 0.2717(3) 0.0435(14) Uani 1 1 d . . . . .
H56A H 1.2544 0.2603 0.2387 0.065 Uiso 1 1 calc R U . . .
H56B H 1.2202 0.2935 0.3136 0.065 Uiso 1 1 calc R U . . .
H56C H 1.2602 0.3525 0.2862 0.065 Uiso 1 1 calc R U . . .
C57 C 0.8608(3) 0.1540(2) 0.1224(2) 0.0200(9) Uani 1 1 d . . . . .
H57 H 0.8229 0.1170 0.1316 0.024 Uiso 1 1 calc R U . . .
C58 C 0.8581(3) 0.1218(3) 0.0420(2) 0.0311(11) Uani 1 1 d . . . . .
H58A H 0.8728 0.0684 0.0227 0.047 Uiso 1 1 calc R U . . .
H58B H 0.8975 0.1548 0.0312 0.047 Uiso 1 1 calc R U . . .
H58C H 0.8024 0.1216 0.0207 0.047 Uiso 1 1 calc R U . . .
C59 C 0.8265(3) 0.2328(3) 0.1515(2) 0.0311(11) Uani 1 1 d . . . . .
H59A H 0.8574 0.2684 0.1374 0.047 Uiso 1 1 calc R U . . .
H59B H 0.8319 0.2551 0.2033 0.047 Uiso 1 1 calc R U . . .
H59C H 0.7681 0.2251 0.1322 0.047 Uiso 1 1 calc R U . . .
C60 C 0.5601(3) 0.2759(2) 0.4449(2) 0.0182(9) Uani 1 1 d . . . . .
C61 C 0.4922(3) 0.2947(2) 0.4116(2) 0.0187(9) Uani 1 1 d . . . . .
C62 C 0.4873(3) 0.2889(2) 0.3379(2) 0.0199(9) Uani 1 1 d . . . . .
C63 C 0.5061(3) 0.3545(2) 0.3266(2) 0.0203(9) Uani 1 1 d . . . . .
C64 C 0.4954(3) 0.3477(3) 0.2584(2) 0.0263(10) Uani 1 1 d . . . . .
H64 H 0.5070 0.3928 0.2509 0.032 Uiso 1 1 calc R U . . .
C65 C 0.4680(3) 0.2762(3) 0.2000(2) 0.0307(11) Uani 1 1 d . . . . .
C67 C 0.4507(3) 0.2120(3) 0.2123(2) 0.0291(11) Uani 1 1 d . . . . .
H67 H 0.4322 0.1630 0.1730 0.035 Uiso 1 1 calc R U . . .
C68 C 0.4594(3) 0.2160(2) 0.2801(2) 0.0238(10) Uani 1 1 d . . . . .
C69 C 0.4390(3) 0.1434(2) 0.2903(2) 0.0286(11) Uani 1 1 d . . . . .
H69 H 0.4579 0.1564 0.3409 0.034 Uiso 1 1 calc R U . . .
C70 C 0.3466(4) 0.1189(4) 0.2764(4) 0.080(2) Uani 1 1 d . . . . .
H70A H 0.3251 0.1121 0.2289 0.120 Uiso 1 1 calc R U . . .
H70B H 0.3197 0.1593 0.3118 0.120 Uiso 1 1 calc R U . . .
H70C H 0.3352 0.0696 0.2795 0.120 Uiso 1 1 calc R U . . .
C71 C 0.4827(4) 0.0758(3) 0.2445(3) 0.0622(19) Uani 1 1 d . . . . .
H71A H 0.4615 0.0585 0.1945 0.093 Uiso 1 1 calc R U . . .
H71B H 0.4728 0.0326 0.2572 0.093 Uiso 1 1 calc R U . . .
H71C H 0.5421 0.0927 0.2523 0.093 Uiso 1 1 calc R U . . .
C72 C 0.5388(3) 0.4341(2) 0.3876(2) 0.0229(10) Uani 1 1 d . . . . .
H72 H 0.5555 0.4252 0.4301 0.027 Uiso 1 1 calc R U . . .
C73 C 0.4708(3) 0.4868(3) 0.4056(3) 0.0353(12) Uani 1 1 d . . . . .
H73A H 0.4526 0.4966 0.3649 0.053 Uiso 1 1 calc R U . . .
H73B H 0.4918 0.5364 0.4465 0.053 Uiso 1 1 calc R U . . .
H73C H 0.4241 0.4613 0.4169 0.053 Uiso 1 1 calc R U . . .
C74 C 0.6149(3) 0.4730(2) 0.3736(2) 0.0299(11) Uani 1 1 d . . . . .
H74A H 0.6557 0.4361 0.3585 0.045 Uiso 1 1 calc R U . . .
H74B H 0.6387 0.5190 0.4171 0.045 Uiso 1 1 calc R U . . .
H74C H 0.5991 0.4889 0.3362 0.045 Uiso 1 1 calc R U . . .
C75 C 0.4225(3) 0.3145(2) 0.4453(2) 0.0260(10) Uani 1 1 d . . . . .
H75 H 0.3775 0.3279 0.4228 0.031 Uiso 1 1 calc R U . . .
C76 C 0.4168(3) 0.3154(2) 0.5100(2) 0.0254(10) Uani 1 1 d . . . . .
H76 H 0.3688 0.3297 0.5323 0.031 Uiso 1 1 calc R U . . .
C77 C 0.4814(3) 0.2952(2) 0.5422(2) 0.0233(10) Uani 1 1 d . . . . .
H77 H 0.4776 0.2957 0.5871 0.028 Uiso 1 1 calc R U . . .
C78 C 0.5526(3) 0.2739(2) 0.5104(2) 0.0196(9) Uani 1 1 d . . . . .
C79 C 0.6131(3) 0.2423(2) 0.5469(2) 0.0204(9) Uani 1 1 d . . . . .
C80 C 0.6623(3) 0.2906(2) 0.6114(2) 0.0245(10) Uani 1 1 d . . . . .
C81 C 0.6687(3) 0.3797(2) 0.6444(2) 0.0316(12) Uani 1 1 d . . . . .
H81 H 0.6406 0.3943 0.6086 0.038 Uiso 1 1 calc R U . . .
C82 C 0.7583(3) 0.4170(3) 0.6621(3) 0.0406(14) Uani 1 1 d . . . . .
H82A H 0.7859 0.3951 0.6197 0.061 Uiso 1 1 calc R U . . .
H82B H 0.7866 0.4064 0.6994 0.061 Uiso 1 1 calc R U . . .
H82C H 0.7599 0.4735 0.6786 0.061 Uiso 1 1 calc R U . . .
C83 C 0.6239(4) 0.4114(3) 0.7101(2) 0.0473(15) Uani 1 1 d . . . . .
H83A H 0.5660 0.3883 0.6970 0.071 Uiso 1 1 calc R U . . .
H83B H 0.6267 0.4683 0.7289 0.071 Uiso 1 1 calc R U . . .
H83C H 0.6503 0.3980 0.7463 0.071 Uiso 1 1 calc R U . . .
C84 C 0.7051(3) 0.2568(3) 0.6492(2) 0.0278(11) Uani 1 1 d . . . . .
H84 H 0.7377 0.2901 0.6930 0.033 Uiso 1 1 calc R U . . .
C85 C 0.7018(3) 0.1770(3) 0.6252(2) 0.0278(11) Uani 1 1 d . . . . .
C86 C 0.6551(3) 0.1297(2) 0.5592(2) 0.0245(10) Uani 1 1 d . . . . .
H86 H 0.6546 0.0747 0.5405 0.029 Uiso 1 1 calc R U . . .
C87 C 0.6099(3) 0.1598(2) 0.5203(2) 0.0218(10) Uani 1 1 d . . . . .
C88 C 0.5512(3) 0.1065(2) 0.4537(2) 0.0252(10) Uani 1 1 d . . . . .
H88 H 0.5456 0.1342 0.4230 0.030 Uiso 1 1 calc R U . . .
C89 C 0.5800(3) 0.0276(2) 0.4096(2) 0.0309(11) Uani 1 1 d . . . . .
H89A H 0.5404 -0.0016 0.3667 0.046 Uiso 1 1 calc R U . . .
H89B H 0.5838 -0.0021 0.4376 0.046 Uiso 1 1 calc R U . . .
H89C H 0.6343 0.0359 0.3964 0.046 Uiso 1 1 calc R U . . .
C90 C 0.4662(3) 0.0941(3) 0.4733(3) 0.0433(14) Uani 1 1 d . . . . .
H90A H 0.4263 0.0681 0.4302 0.065 Uiso 1 1 calc R U . . .
H90B H 0.4494 0.1447 0.5039 0.065 Uiso 1 1 calc R U . . .
H90C H 0.4681 0.0615 0.4986 0.065 Uiso 1 1 calc R U . . .
C91 C 0.7461(4) 0.1409(3) 0.6687(2) 0.0405(14) Uani 1 1 d . . . . .
H91 H 0.7825 0.1050 0.6378 0.049 Uiso 1 1 calc R U . . .
C92 C 0.8004(4) 0.1985(3) 0.7351(3) 0.0511(15) Uani 1 1 d . . . . .
H92A H 0.8420 0.2282 0.7227 0.077 Uiso 1 1 calc R U . . .
H92B H 0.8280 0.1704 0.7585 0.077 Uiso 1 1 calc R U . . .
H92C H 0.7667 0.2344 0.7673 0.077 Uiso 1 1 calc R U . . .
C93 C 0.6848(5) 0.0917(4) 0.6867(3) 0.075(2) Uani 1 1 d . . . . .
H93A H 0.6554 0.0495 0.6429 0.113 Uiso 1 1 calc R U . . .
H93B H 0.6451 0.1243 0.7140 0.113 Uiso 1 1 calc R U . . .
H93C H 0.7141 0.0695 0.7149 0.113 Uiso 1 1 calc R U . . .
C94 C 0.9079(3) 0.3873(2) 0.3405(2) 0.0177(9) Uani 1 1 d . . . . .
C95 C 0.9865(3) 0.4185(2) 0.3401(2) 0.0252(10) Uani 1 1 d . . . . .
H95 H 1.0331 0.4082 0.3636 0.030 Uiso 1 1 calc R U . . .
C96 C 0.9969(3) 0.4654(3) 0.3049(3) 0.0371(13) Uani 1 1 d . . . . .
H96 H 1.0507 0.4870 0.3044 0.044 Uiso 1 1 calc R U . . .
C97 C 0.9299(4) 0.4801(3) 0.2712(3) 0.0362(13) Uani 1 1 d . . . . .
H97 H 0.9373 0.5122 0.2476 0.043 Uiso 1 1 calc R U . . .
C98 C 0.8515(3) 0.4487(3) 0.2711(2) 0.0334(12) Uani 1 1 d . . . . .
H98 H 0.8053 0.4590 0.2473 0.040 Uiso 1 1 calc R U . . .
C99 C 0.8401(3) 0.4024(2) 0.3058(2) 0.0257(10) Uani 1 1 d . . . . .
H99 H 0.7860 0.3811 0.3060 0.031 Uiso 1 1 calc R U . . .
C100 C 0.9869(3) 0.3250(2) 0.4319(2) 0.0182(9) Uani 1 1 d . . . . .
C101 C 1.0126(3) 0.3679(2) 0.5045(2) 0.0198(9) Uani 1 1 d . . . . .
H101 H 0.9777 0.4019 0.5337 0.024 Uiso 1 1 calc R U . . .
C102 C 1.0890(3) 0.3611(2) 0.5343(2) 0.0255(10) Uani 1 1 d . . . . .
H102 H 1.1063 0.3910 0.5837 0.031 Uiso 1 1 calc R U . . .
C103 C 1.1398(3) 0.3112(2) 0.4927(2) 0.0262(10) Uani 1 1 d . . . . .
H103 H 1.1921 0.3071 0.5133 0.031 Uiso 1 1 calc R U . . .
C104 C 1.1140(3) 0.2667(2) 0.4202(2) 0.0242(10) Uani 1 1 d . . . . .
H104 H 1.1485 0.2318 0.3914 0.029 Uiso 1 1 calc R U . . .
C105 C 1.0388(3) 0.2738(2) 0.3910(2) 0.0205(9) Uani 1 1 d . . . . .
H105 H 1.0215 0.2431 0.3418 0.025 Uiso 1 1 calc R U . . .
C137 C 0.9097(8) 0.6105(6) 0.1625(5) 0.151(4) Uani 1 1 d . U . . .
H13L H 0.8940 0.6210 0.1217 0.226 Uiso 1 1 calc R U . . .
H13M H 0.8896 0.6490 0.2044 0.226 Uiso 1 1 calc R U . . .
H13N H 0.8852 0.5580 0.1525 0.226 Uiso 1 1 calc R U . . .
C161 C 0.3947(8) 0.3150(8) 0.1105(6) 0.069(3) Uani 0.644(10) 1 d . U P A 1
H16I H 0.3907 0.3055 0.0607 0.104 Uiso 0.644(10) 1 calc R U P A 1
H16O H 0.4112 0.3707 0.1411 0.104 Uiso 0.644(10) 1 calc R U P A 1
H16L H 0.3409 0.2991 0.1202 0.104 Uiso 0.644(10) 1 calc R U P A 1
C162 C 0.5425(7) 0.2935(7) 0.1077(5) 0.058(3) Uani 0.644(10) 1 d . U P A 1
H16M H 0.5365 0.2870 0.0588 0.088 Uiso 0.644(10) 1 calc R U P A 1
H16N H 0.5831 0.2607 0.1135 0.088 Uiso 0.644(10) 1 calc R U P A 1
H16P H 0.5612 0.3483 0.1401 0.088 Uiso 0.644(10) 1 calc R U P A 1
C163 C 0.3621(15) 0.2722(16) 0.1075(12) 0.069(3) Uani 0.356(10) 1 d . U P A 2
H16A H 0.3488 0.2592 0.0571 0.104 Uiso 0.356(10) 1 calc R U P A 2
H16B H 0.3489 0.3248 0.1363 0.104 Uiso 0.356(10) 1 calc R U P A 2
H16C H 0.3297 0.2346 0.1183 0.104 Uiso 0.356(10) 1 calc R U P A 2
C164 C 0.5068(14) 0.3360(12) 0.1177(9) 0.058(3) Uani 0.356(10) 1 d . U P A 2
H16D H 0.4991 0.3272 0.0681 0.088 Uiso 0.356(10) 1 calc R U P A 2
H16E H 0.5655 0.3383 0.1332 0.088 Uiso 0.356(10) 1 calc R U P A 2
H16F H 0.4870 0.3854 0.1473 0.088 Uiso 0.356(10) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3145(10) . ?
Au1 Sn2 2.5774(4) . ?
Au1 Au2 2.8585(3) . ?
Au2 P2 2.3155(11) . ?
Au2 Sn1 2.5769(4) . ?
Au2 Sn2 3.3171(4) . ?
Sn1 C6 2.185(4) . ?
Sn1 C60 2.199(4) . ?
Sn1 Cl2 2.4176(10) . ?
Sn2 C25 2.186(4) . ?
Sn2 C7 2.192(4) . ?
Sn2 Cl1 2.4112(11) . ?
P1 C100 1.822(5) . ?
P1 C1 1.833(4) . ?
P1 C94 1.834(4) . ?
P2 C15 1.827(4) . ?
P2 C9 1.828(4) . ?
P2 C8 1.833(4) . ?
C1 C2 1.398(5) . ?
C1 C6 1.407(6) . ?
C2 C3 1.380(5) . ?
C2 H2 0.9500 . ?
C160 C161 1.501(13) . ?
C160 C65 1.522(7) . ?
C160 C164 1.540(19) . ?
C160 C162 1.560(12) . ?
C160 C163 1.59(2) . ?
C160 H16Z 1.0000 . ?
C160 H16Y 1.0000 . ?
C145 C144 1.545(15) . ?
C145 H14A 0.9800 . ?
C145 H14B 0.9800 . ?
C145 H14C 0.9800 . ?
C144 C143 1.349(15) . ?
C144 H14O 0.9900 . ?
C144 H14P 0.9900 . ?
C143 C142 1.561(16) . ?
C143 H14D 0.9900 . ?
C143 H14E 0.9900 . ?
C142 C141 1.350(11) . ?
C142 H14X 0.9900 . ?
C142 H14Y 0.9900 . ?
C141 C140 1.412(13) . ?
C141 H14T 0.9900 . ?
C141 H14Z 0.9900 . ?
C140 H14W 0.9800 . ?
C140 H14R 0.9800 . ?
C140 H14S 0.9800 . ?
C134 C133 1.501(13) . ?
C134 C137 1.549(16) . ?
C134 H13A 0.9900 . ?
C134 H13B 0.9900 . ?
C133 C132 1.531(14) . ?
C133 H13C 0.9900 . ?
C133 H13D 0.9900 . ?
C132 C131 1.424(14) . ?
C132 H13E 0.9900 . ?
C132 H13F 0.9900 . ?
C131 C130 1.570(16) . ?
C131 H13G 0.9900 . ?
C131 H13H 0.9900 . ?
C130 H13I 0.9800 . ?
C130 H13J 0.9800 . ?
C130 H13K 0.9800 . ?
C125 C124 1.432(12) . ?
C125 H12X 0.9800 . ?
C125 H12Y 0.9800 . ?
C125 H12Z 0.9800 . ?
C124 C123 1.411(12) . ?
C124 H12S 0.9900 . ?
C124 H12T 0.9900 . ?
C123 C122 1.506(11) . ?
C123 H12U 0.9900 . ?
C123 H12V 0.9900 . ?
C122 C121 1.454(11) . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C121 C120 1.495(10) . ?
C121 H12E 0.9900 . ?
C121 H12F 0.9900 . ?
C120 H12G 0.9800 . ?
C120 H12H 0.9800 . ?
C120 H12I 0.9800 . ?
C106 C36 1.559(9) . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C3 C4 1.379(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(5) . ?
C5 H5 0.9500 . ?
C7 C24 1.397(5) . ?
C7 C8 1.412(5) . ?
C8 C21 1.387(6) . ?
C9 C14 1.383(6) . ?
C9 C10 1.408(5) . ?
C10 C11 1.387(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(6) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.380(6) . ?
C15 C16 1.390(6) . ?
C16 C17 1.389(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.390(6) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.382(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(6) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C44 1.405(6) . ?
C25 C26 1.425(5) . ?
C26 C41 1.396(5) . ?
C26 C27 1.495(6) . ?
C27 C32 1.406(6) . ?
C27 C28 1.408(6) . ?
C28 C29 1.380(7) . ?
C28 C38 1.518(7) . ?
C29 C30 1.386(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(7) . ?
C30 C36 1.526(7) . ?
C31 C32 1.388(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.519(6) . ?
C33 C35 1.528(6) . ?
C33 C34 1.530(6) . ?
C33 H33 1.0000 . ?
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 C37 1.493(10) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.514(6) . ?
C38 C40 1.541(6) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.383(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.373(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.409(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.519(5) . ?
C45 C50 1.398(6) . ?
C45 C46 1.425(6) . ?
C46 C47 1.397(6) . ?
C46 C57 1.519(6) . ?
C47 C48 1.394(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.373(6) . ?
C48 C54 1.530(6) . ?
C49 C50 1.397(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.523(6) . ?
C51 C53 1.521(6) . ?
C51 C52 1.542(6) . ?
C51 H51 1.0000 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C56 1.522(7) . ?
C54 C55 1.528(7) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.531(5) . ?
C57 C59 1.534(6) . ?
C57 H57 1.0000 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.413(6) . ?
C60 C78 1.415(6) . ?
C61 C75 1.391(6) . ?
C61 C62 1.504(6) . ?
C62 C63 1.394(6) . ?
C62 C68 1.410(5) . ?
C63 C64 1.382(6) . ?
C63 C72 1.527(5) . ?
C64 C65 1.397(6) . ?
C64 H64 0.9500 . ?
C65 C67 1.377(6) . ?
C67 C68 1.394(6) . ?
C67 H67 0.9500 . ?
C68 C69 1.511(6) . ?
C69 C71 1.517(7) . ?
C69 C70 1.518(7) . ?
C69 H69 1.0000 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C73 1.521(6) . ?
C72 C74 1.524(6) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.370(6) . ?
C75 H75 0.9500 . ?
C76 C77 1.373(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.399(6) . ?
C77 H77 0.9500 . ?
C78 C79 1.512(6) . ?
C79 C80 1.403(6) . ?
C79 C87 1.424(5) . ?
C80 C84 1.396(6) . ?
C80 C81 1.530(6) . ?
C81 C82 1.526(7) . ?
C81 C83 1.535(7) . ?
C81 H81 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.382(6) . ?
C84 H84 0.9500 . ?
C85 C86 1.403(6) . ?
C85 C91 1.529(7) . ?
C86 C87 1.383(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.525(6) . ?
C88 C90 1.522(6) . ?
C88 C89 1.530(6) . ?
C88 H88 1.0000 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.508(8) . ?
C91 C93 1.511(8) . ?
C91 H91 1.0000 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.384(6) . ?
C94 C99 1.392(6) . ?
C95 C96 1.401(6) . ?
C95 H95 0.9500 . ?
C96 C97 1.367(8) . ?
C96 H96 0.9500 . ?
C97 C98 1.380(7) . ?
C97 H97 0.9500 . ?
C98 C99 1.384(6) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 C105 1.397(6) . ?
C100 C101 1.397(5) . ?
C101 C102 1.390(6) . ?
C101 H101 0.9500 . ?
C102 C103 1.378(6) . ?
C102 H102 0.9500 . ?
C103 C104 1.398(6) . ?
C103 H103 0.9500 . ?
C104 C105 1.371(6) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C137 H13L 0.9800 . ?
C137 H13M 0.9800 . ?
C137 H13N 0.9800 . ?
C161 H16I 0.9800 . ?
C161 H16O 0.9800 . ?
C161 H16L 0.9800 . ?
C162 H16M 0.9800 . ?
C162 H16N 0.9800 . ?
C162 H16P 0.9800 . ?
C163 H16A 0.9800 . ?
C163 H16B 0.9800 . ?
C163 H16C 0.9800 . ?
C164 H16D 0.9800 . ?
C164 H16E 0.9800 . ?
C164 H16F 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
P1 Au1 Sn2 164.57(3) . . ?
P1 Au1 Au2 107.16(3) . . ?
Sn2 Au1 Au2 75.010(10) . . ?
P2 Au2 Sn1 162.67(3) . . ?
P2 Au2 Au1 105.74(3) . . ?
Sn1 Au2 Au1 75.662(10) . . ?
P2 Au2 Sn2 80.43(3) . . ?
Sn1 Au2 Sn2 111.313(11) . . ?
Au1 Au2 Sn2 48.640(8) . . ?
C6 Sn1 C60 99.51(14) . . ?
C6 Sn1 Cl2 96.19(10) . . ?
C60 Sn1 Cl2 107.90(12) . . ?
C6 Sn1 Au2 116.25(11) . . ?
C60 Sn1 Au2 125.71(11) . . ?
Cl2 Sn1 Au2 107.24(3) . . ?
C25 Sn2 C7 97.18(14) . . ?
C25 Sn2 Cl1 107.96(11) . . ?
C7 Sn2 Cl1 97.01(11) . . ?
C25 Sn2 Au1 125.71(10) . . ?
C7 Sn2 Au1 116.47(9) . . ?
Cl1 Sn2 Au1 108.53(3) . . ?
C25 Sn2 Au2 171.73(11) . . ?
C7 Sn2 Au2 87.98(10) . . ?
Cl1 Sn2 Au2 64.83(2) . . ?
Au1 Sn2 Au2 56.349(8) . . ?
C100 P1 C1 108.25(18) . . ?
C100 P1 C94 106.23(19) . . ?
C1 P1 C94 99.21(17) . . ?
C100 P1 Au1 105.61(13) . . ?
C1 P1 Au1 121.65(13) . . ?
C94 P1 Au1 114.94(12) . . ?
C15 P2 C9 106.12(18) . . ?
C15 P2 C8 98.88(17) . . ?
C9 P2 C8 108.57(19) . . ?
C15 P2 Au2 116.04(14) . . ?
C9 P2 Au2 104.32(14) . . ?
C8 P2 Au2 121.99(14) . . ?
C2 C1 C6 120.0(4) . . ?
C2 C1 P1 115.8(3) . . ?
C6 C1 P1 123.8(3) . . ?
C3 C2 C1 121.7(4) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C161 C160 C65 114.8(6) . . ?
C65 C160 C164 113.2(8) . . ?
C161 C160 C162 108.9(7) . . ?
C65 C160 C162 109.4(5) . . ?
C65 C160 C163 104.5(9) . . ?
C164 C160 C163 108.3(13) . . ?
C161 C160 H16Z 107.9 . . ?
C65 C160 H16Z 107.9 . . ?
C162 C160 H16Z 107.9 . . ?
C65 C160 H16Y 110.2 . . ?
C164 C160 H16Y 110.2 . . ?
C163 C160 H16Y 110.2 . . ?
C144 C145 H14A 109.5 . . ?
C144 C145 H14B 109.5 . . ?
H14A C145 H14B 109.5 . . ?
C144 C145 H14C 109.5 . . ?
H14A C145 H14C 109.5 . . ?
H14B C145 H14C 109.5 . . ?
C143 C144 C145 112.6(17) . . ?
C143 C144 H14O 109.1 . . ?
C145 C144 H14O 109.1 . . ?
C143 C144 H14P 109.1 . . ?
C145 C144 H14P 109.1 . . ?
H14O C144 H14P 107.8 . . ?
C144 C143 C142 111.9(15) . . ?
C144 C143 H14D 109.2 . . ?
C142 C143 H14D 109.2 . . ?
C144 C143 H14E 109.2 . . ?
C142 C143 H14E 109.2 . . ?
H14D C143 H14E 107.9 . . ?
C141 C142 C143 108.3(14) . . ?
C141 C142 H14X 110.0 . . ?
C143 C142 H14X 110.0 . . ?
C141 C142 H14Y 110.0 . . ?
C143 C142 H14Y 110.0 . . ?
H14X C142 H14Y 108.4 . . ?
C142 C141 C140 126.9(15) . . ?
C142 C141 H14T 105.6 . . ?
C140 C141 H14T 105.6 . . ?
C142 C141 H14Z 105.6 . . ?
C140 C141 H14Z 105.6 . . ?
H14T C141 H14Z 106.1 . . ?
C141 C140 H14W 109.5 . . ?
C141 C140 H14R 109.5 . . ?
H14W C140 H14R 109.5 . . ?
C141 C140 H14S 109.5 . . ?
H14W C140 H14S 109.5 . . ?
H14R C140 H14S 109.5 . . ?
C133 C134 C137 110.7(9) . . ?
C133 C134 H13A 109.5 . . ?
C137 C134 H13A 109.5 . . ?
C133 C134 H13B 109.5 . . ?
C137 C134 H13B 109.5 . . ?
H13A C134 H13B 108.1 . . ?
C134 C133 C132 111.7(8) . . ?
C134 C133 H13C 109.3 . . ?
C132 C133 H13C 109.3 . . ?
C134 C133 H13D 109.3 . . ?
C132 C133 H13D 109.3 . . ?
H13C C133 H13D 107.9 . . ?
C131 C132 C133 114.0(9) . . ?
C131 C132 H13E 108.7 . . ?
C133 C132 H13E 108.7 . . ?
C131 C132 H13F 108.7 . . ?
C133 C132 H13F 108.7 . . ?
H13E C132 H13F 107.6 . . ?
C132 C131 C130 112.9(9) . . ?
C132 C131 H13G 109.0 . . ?
C130 C131 H13G 109.0 . . ?
C132 C131 H13H 109.0 . . ?
C130 C131 H13H 109.0 . . ?
H13G C131 H13H 107.8 . . ?
C131 C130 H13I 109.5 . . ?
C131 C130 H13J 109.5 . . ?
H13I C130 H13J 109.5 . . ?
C131 C130 H13K 109.5 . . ?
H13I C130 H13K 109.5 . . ?
H13J C130 H13K 109.5 . . ?
C124 C125 H12X 109.5 . . ?
C124 C125 H12Y 109.5 . . ?
H12X C125 H12Y 109.5 . . ?
C124 C125 H12Z 109.5 . . ?
H12X C125 H12Z 109.5 . . ?
H12Y C125 H12Z 109.5 . . ?
C123 C124 C125 119.0(12) . . ?
C123 C124 H12S 107.6 . . ?
C125 C124 H12S 107.6 . . ?
C123 C124 H12T 107.6 . . ?
C125 C124 H12T 107.6 . . ?
H12S C124 H12T 107.0 . . ?
C124 C123 C122 118.7(10) . . ?
C124 C123 H12U 107.6 . . ?
C122 C123 H12U 107.6 . . ?
C124 C123 H12V 107.6 . . ?
C122 C123 H12V 107.6 . . ?
H12U C123 H12V 107.1 . . ?
C121 C122 C123 118.0(9) . . ?
C121 C122 H12C 107.8 . . ?
C123 C122 H12C 107.8 . . ?
C121 C122 H12D 107.8 . . ?
C123 C122 H12D 107.8 . . ?
H12C C122 H12D 107.2 . . ?
C122 C121 C120 116.4(8) . . ?
C122 C121 H12E 108.2 . . ?
C120 C121 H12E 108.2 . . ?
C122 C121 H12F 108.2 . . ?
C120 C121 H12F 108.2 . . ?
H12E C121 H12F 107.4 . . ?
C121 C120 H12G 109.5 . . ?
C121 C120 H12H 109.5 . . ?
H12G C120 H12H 109.5 . . ?
C121 C120 H12I 109.5 . . ?
H12G C120 H12I 109.5 . . ?
H12H C120 H12I 109.5 . . ?
C36 C106 H10A 109.5 . . ?
C36 C106 H10B 109.5 . . ?
H10A C106 H10B 109.5 . . ?
C36 C106 H10C 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C4 C3 C2 119.2(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 119.6(4) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 122.5(4) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C1 117.0(3) . . ?
C5 C6 Sn1 116.6(3) . . ?
C1 C6 Sn1 126.4(3) . . ?
C24 C7 C8 117.2(4) . . ?
C24 C7 Sn2 116.9(3) . . ?
C8 C7 Sn2 125.9(3) . . ?
C21 C8 C7 119.8(4) . . ?
C21 C8 P2 116.5(3) . . ?
C7 C8 P2 123.0(3) . . ?
C14 C9 C10 119.1(4) . . ?
C14 C9 P2 124.7(3) . . ?
C10 C9 P2 116.1(3) . . ?
C11 C10 C9 119.9(4) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.4(4) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 120.6(4) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C9 C14 C13 120.3(4) . . ?
C9 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C20 C15 C16 118.9(4) . . ?
C20 C15 P2 123.3(3) . . ?
C16 C15 P2 117.7(3) . . ?
C17 C16 C15 120.6(4) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 119.9(4) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 120.6(4) . . ?
C15 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C8 122.0(4) . . ?
C22 C21 H21 119.0 . . ?
C8 C21 H21 119.0 . . ?
C21 C22 C23 118.5(4) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 H22 120.8 . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C7 122.1(4) . . ?
C23 C24 H24 118.9 . . ?
C7 C24 H24 118.9 . . ?
C44 C25 C26 118.8(3) . . ?
C44 C25 Sn2 115.9(3) . . ?
C26 C25 Sn2 124.7(3) . . ?
C41 C26 C25 119.4(4) . . ?
C41 C26 C27 116.4(3) . . ?
C25 C26 C27 124.0(3) . . ?
C32 C27 C28 120.0(4) . . ?
C32 C27 C26 118.9(4) . . ?
C28 C27 C26 121.1(4) . . ?
C29 C28 C27 118.8(4) . . ?
C29 C28 C38 119.1(4) . . ?
C27 C28 C38 122.1(4) . . ?
C28 C29 C30 122.5(5) . . ?
C28 C29 H29 118.8 . . ?
C30 C29 H29 118.8 . . ?
C31 C30 C29 117.8(5) . . ?
C31 C30 C36 123.5(5) . . ?
C29 C30 C36 118.7(5) . . ?
C30 C31 C32 122.4(5) . . ?
C30 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C31 C32 C27 118.6(4) . . ?
C31 C32 C33 120.0(4) . . ?
C27 C32 C33 121.4(4) . . ?
C32 C33 C35 113.0(4) . . ?
C32 C33 C34 110.4(4) . . ?
C35 C33 C34 111.8(4) . . ?
C32 C33 H33 107.1 . . ?
C35 C33 H33 107.1 . . ?
C34 C33 H33 107.1 . . ?
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 . . ?
C37 C36 C30 115.6(5) . . ?
C37 C36 C106 110.1(6) . . ?
C30 C36 C106 110.1(5) . . ?
C37 C36 H36 106.9 . . ?
C30 C36 H36 106.9 . . ?
C106 C36 H36 106.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C28 112.4(4) . . ?
C39 C38 C40 110.6(4) . . ?
C28 C38 C40 110.8(4) . . ?
C39 C38 H38 107.6 . . ?
C28 C38 H38 107.6 . . ?
C40 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C26 121.4(4) . . ?
C42 C41 H41 119.3 . . ?
C26 C41 H41 119.3 . . ?
C43 C42 C41 119.2(4) . . ?
C43 C42 H42 120.4 . . ?
C41 C42 H42 120.4 . . ?
C42 C43 C44 121.7(4) . . ?
C42 C43 H43 119.2 . . ?
C44 C43 H43 119.2 . . ?
C25 C44 C43 119.2(4) . . ?
C25 C44 C45 126.1(3) . . ?
C43 C44 C45 114.6(4) . . ?
C50 C45 C46 120.1(4) . . ?
C50 C45 C44 120.5(4) . . ?
C46 C45 C44 118.6(4) . . ?
C47 C46 C45 117.7(4) . . ?
C47 C46 C57 120.6(4) . . ?
C45 C46 C57 121.6(4) . . ?
C48 C47 C46 122.9(4) . . ?
C48 C47 H47 118.6 . . ?
C46 C47 H47 118.6 . . ?
C49 C48 C47 117.4(4) . . ?
C49 C48 C54 123.6(4) . . ?
C47 C48 C54 119.0(4) . . ?
C48 C49 C50 123.0(4) . . ?
C48 C49 H49 118.5 . . ?
C50 C49 H49 118.5 . . ?
C49 C50 C45 118.7(4) . . ?
C49 C50 C51 118.4(4) . . ?
C45 C50 C51 122.8(4) . . ?
C53 C51 C50 112.7(4) . . ?
C53 C51 C52 110.4(4) . . ?
C50 C51 C52 110.4(3) . . ?
C53 C51 H51 107.7 . . ?
C50 C51 H51 107.7 . . ?
C52 C51 H51 107.7 . . ?
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 . . ?
C56 C54 C55 110.0(4) . . ?
C56 C54 C48 114.0(4) . . ?
C55 C54 C48 110.9(4) . . ?
C56 C54 H54 107.2 . . ?
C55 C54 H54 107.2 . . ?
C48 C54 H54 107.2 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C46 C57 C58 111.0(3) . . ?
C46 C57 C59 114.3(3) . . ?
C58 C57 C59 109.5(4) . . ?
C46 C57 H57 107.2 . . ?
C58 C57 H57 107.2 . . ?
C59 C57 H57 107.2 . . ?
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 . . ?
C61 C60 C78 118.1(4) . . ?
C61 C60 Sn1 125.2(3) . . ?
C78 C60 Sn1 116.7(3) . . ?
C75 C61 C60 119.7(4) . . ?
C75 C61 C62 116.4(4) . . ?
C60 C61 C62 123.7(4) . . ?
C63 C62 C68 120.3(4) . . ?
C63 C62 C61 121.2(3) . . ?
C68 C62 C61 118.5(4) . . ?
C64 C63 C62 119.4(4) . . ?
C64 C63 C72 118.7(4) . . ?
C62 C63 C72 121.9(4) . . ?
C63 C64 C65 121.7(4) . . ?
C63 C64 H64 119.1 . . ?
C65 C64 H64 119.1 . . ?
C67 C65 C64 117.9(4) . . ?
C67 C65 C160 120.5(4) . . ?
C64 C65 C160 121.5(4) . . ?
C65 C67 C68 122.6(4) . . ?
C65 C67 H67 118.7 . . ?
C68 C67 H67 118.7 . . ?
C67 C68 C62 118.1(4) . . ?
C67 C68 C69 120.1(4) . . ?
C62 C68 C69 121.8(4) . . ?
C68 C69 C71 112.8(4) . . ?
C68 C69 C70 111.0(4) . . ?
C71 C69 C70 109.9(5) . . ?
C68 C69 H69 107.6 . . ?
C71 C69 H69 107.6 . . ?
C70 C69 H69 107.6 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C73 C72 C74 111.5(4) . . ?
C73 C72 C63 110.4(4) . . ?
C74 C72 C63 113.0(3) . . ?
C73 C72 H72 107.2 . . ?
C74 C72 H72 107.2 . . ?
C63 C72 H72 107.2 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C76 C75 C61 122.0(4) . . ?
C76 C75 H75 119.0 . . ?
C61 C75 H75 119.0 . . ?
C75 C76 C77 119.0(4) . . ?
C75 C76 H76 120.5 . . ?
C77 C76 H76 120.5 . . ?
C76 C77 C78 121.5(4) . . ?
C76 C77 H77 119.3 . . ?
C78 C77 H77 119.3 . . ?
C77 C78 C60 119.6(4) . . ?
C77 C78 C79 115.4(4) . . ?
C60 C78 C79 124.7(4) . . ?
C80 C79 C87 119.2(4) . . ?
C80 C79 C78 122.1(4) . . ?
C87 C79 C78 117.9(4) . . ?
C84 C80 C79 119.4(4) . . ?
C84 C80 C81 117.7(4) . . ?
C79 C80 C81 122.8(4) . . ?
C82 C81 C80 111.8(4) . . ?
C82 C81 C83 111.0(4) . . ?
C80 C81 C83 111.0(4) . . ?
C82 C81 H81 107.6 . . ?
C80 C81 H81 107.6 . . ?
C83 C81 H81 107.6 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 C80 122.6(4) . . ?
C85 C84 H84 118.7 . . ?
C80 C84 H84 118.7 . . ?
C84 C85 C86 117.2(4) . . ?
C84 C85 C91 121.9(4) . . ?
C86 C85 C91 120.9(4) . . ?
C87 C86 C85 122.7(4) . . ?
C87 C86 H86 118.6 . . ?
C85 C86 H86 118.6 . . ?
C86 C87 C79 118.8(4) . . ?
C86 C87 C88 121.1(4) . . ?
C79 C87 C88 119.8(4) . . ?
C90 C88 C87 109.7(4) . . ?
C90 C88 C89 109.8(4) . . ?
C87 C88 C89 114.8(4) . . ?
C90 C88 H88 107.4 . . ?
C87 C88 H88 107.4 . . ?
C89 C88 H88 107.4 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 C93 110.0(4) . . ?
C92 C91 C85 115.0(4) . . ?
C93 C91 C85 110.5(5) . . ?
C92 C91 H91 107.0 . . ?
C93 C91 H91 107.0 . . ?
C85 C91 H91 107.0 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 C99 119.9(4) . . ?
C95 C94 P1 122.8(3) . . ?
C99 C94 P1 117.2(3) . . ?
C94 C95 C96 119.5(5) . . ?
C94 C95 H95 120.3 . . ?
C96 C95 H95 120.3 . . ?
C97 C96 C95 120.2(5) . . ?
C97 C96 H96 119.9 . . ?
C95 C96 H96 119.9 . . ?
C96 C97 C98 120.5(5) . . ?
C96 C97 H97 119.7 . . ?
C98 C97 H97 119.7 . . ?
C97 C98 C99 120.1(5) . . ?
C97 C98 H98 119.9 . . ?
C99 C98 H98 119.9 . . ?
C98 C99 C94 119.8(4) . . ?
C98 C99 H99 120.1 . . ?
C94 C99 H99 120.1 . . ?
C105 C100 C101 118.2(4) . . ?
C105 C100 P1 117.0(3) . . ?
C101 C100 P1 124.7(3) . . ?
C102 C101 C100 120.3(4) . . ?
C102 C101 H101 119.8 . . ?
C100 C101 H101 119.8 . . ?
C103 C102 C101 120.4(4) . . ?
C103 C102 H102 119.8 . . ?
C101 C102 H102 119.8 . . ?
C102 C103 C104 119.8(4) . . ?
C102 C103 H103 120.1 . . ?
C104 C103 H103 120.1 . . ?
C105 C104 C103 119.7(4) . . ?
C105 C104 H104 120.2 . . ?
C103 C104 H104 120.2 . . ?
C104 C105 C100 121.6(4) . . ?
C104 C105 H105 119.2 . . ?
C100 C105 H105 119.2 . . ?
C134 C137 H13L 109.5 . . ?
C134 C137 H13M 109.5 . . ?
H13L C137 H13M 109.5 . . ?
C134 C137 H13N 109.5 . . ?
H13L C137 H13N 109.5 . . ?
H13M C137 H13N 109.5 . . ?
C160 C161 H16I 109.5 . . ?
C160 C161 H16O 109.5 . . ?
H16I C161 H16O 109.5 . . ?
C160 C161 H16L 109.5 . . ?
H16I C161 H16L 109.5 . . ?
H16O C161 H16L 109.5 . . ?
C160 C162 H16M 109.5 . . ?
C160 C162 H16N 109.5 . . ?
H16M C162 H16N 109.5 . . ?
C160 C162 H16P 109.5 . . ?
H16M C162 H16P 109.5 . . ?
H16N C162 H16P 109.5 . . ?
C160 C163 H16A 109.5 . . ?
C160 C163 H16B 109.5 . . ?
H16A C163 H16B 109.5 . . ?
C160 C163 H16C 109.5 . . ?
H16A C163 H16C 109.5 . . ?
H16B C163 H16C 109.5 . . ?
C160 C164 H16D 109.5 . . ?
C160 C164 H16E 109.5 . . ?
H16D C164 H16E 109.5 . . ?
C160 C164 H16F 109.5 . . ?
H16D C164 H16F 109.5 . . ?
H16E C164 H16F 109.5 . . ?

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
C100 P1 C1 C2 60.6(4) . . . . ?
C94 P1 C1 C2 -50.0(4) . . . . ?
Au1 P1 C1 C2 -177.0(3) . . . . ?
C100 P1 C1 C6 -127.1(3) . . . . ?
C94 P1 C1 C6 122.3(4) . . . . ?
Au1 P1 C1 C6 -4.7(4) . . . . ?
C6 C1 C2 C3 1.0(6) . . . . ?
P1 C1 C2 C3 173.6(3) . . . . ?
C145 C144 C143 C142 -165.9(17) . . . . ?
C144 C143 C142 C141 -174.7(18) . . . . ?
C143 C142 C141 C140 -170.7(14) . . . . ?
C137 C134 C133 C132 -180.0(9) . . . . ?
C134 C133 C132 C131 -179.3(10) . . . . ?
C133 C132 C131 C130 179.2(10) . . . . ?
C125 C124 C123 C122 -176.1(12) . . . . ?
C124 C123 C122 C121 -177.1(11) . . . . ?
C123 C122 C121 C120 -175.6(8) . . . . ?
C1 C2 C3 C4 -1.0(7) . . . . ?
C2 C3 C4 C5 0.0(6) . . . . ?
C3 C4 C5 C6 1.0(6) . . . . ?
C4 C5 C6 C1 -1.0(6) . . . . ?
C4 C5 C6 Sn1 -179.3(3) . . . . ?
C2 C1 C6 C5 0.1(6) . . . . ?
P1 C1 C6 C5 -171.9(3) . . . . ?
C2 C1 C6 Sn1 178.1(3) . . . . ?
P1 C1 C6 Sn1 6.1(5) . . . . ?
C24 C7 C8 C21 1.6(6) . . . . ?
Sn2 C7 C8 C21 -178.6(3) . . . . ?
C24 C7 C8 P2 -169.1(3) . . . . ?
Sn2 C7 C8 P2 10.7(5) . . . . ?
C15 P2 C8 C21 -48.6(4) . . . . ?
C9 P2 C8 C21 61.8(4) . . . . ?
Au2 P2 C8 C21 -177.0(3) . . . . ?
C15 P2 C8 C7 122.3(3) . . . . ?
C9 P2 C8 C7 -127.2(3) . . . . ?
Au2 P2 C8 C7 -6.1(4) . . . . ?
C15 P2 C9 C14 103.5(4) . . . . ?
C8 P2 C9 C14 -1.9(4) . . . . ?
Au2 P2 C9 C14 -133.4(3) . . . . ?
C15 P2 C9 C10 -80.0(3) . . . . ?
C8 P2 C9 C10 174.5(3) . . . . ?
Au2 P2 C9 C10 43.0(3) . . . . ?
C14 C9 C10 C11 -0.9(6) . . . . ?
P2 C9 C10 C11 -177.5(3) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
C10 C11 C12 C13 0.5(7) . . . . ?
C11 C12 C13 C14 0.2(6) . . . . ?
C10 C9 C14 C13 1.6(6) . . . . ?
P2 C9 C14 C13 177.9(3) . . . . ?
C12 C13 C14 C9 -1.2(6) . . . . ?
C9 P2 C15 C20 -2.4(4) . . . . ?
C8 P2 C15 C20 109.9(4) . . . . ?
Au2 P2 C15 C20 -117.8(3) . . . . ?
C9 P2 C15 C16 -179.4(3) . . . . ?
C8 P2 C15 C16 -67.0(4) . . . . ?
Au2 P2 C15 C16 65.3(3) . . . . ?
C20 C15 C16 C17 1.0(6) . . . . ?
P2 C15 C16 C17 178.1(3) . . . . ?
C15 C16 C17 C18 -1.0(7) . . . . ?
C16 C17 C18 C19 0.8(7) . . . . ?
C17 C18 C19 C20 -0.5(7) . . . . ?
C16 C15 C20 C19 -0.7(6) . . . . ?
P2 C15 C20 C19 -177.6(3) . . . . ?
C18 C19 C20 C15 0.4(7) . . . . ?
C7 C8 C21 C22 0.5(6) . . . . ?
P2 C8 C21 C22 171.7(3) . . . . ?
C8 C21 C22 C23 -1.9(6) . . . . ?
C21 C22 C23 C24 1.3(6) . . . . ?
C22 C23 C24 C7 0.7(7) . . . . ?
C8 C7 C24 C23 -2.2(6) . . . . ?
Sn2 C7 C24 C23 178.0(3) . . . . ?
C44 C25 C26 C41 4.2(6) . . . . ?
Sn2 C25 C26 C41 -166.3(3) . . . . ?
C44 C25 C26 C27 -170.9(4) . . . . ?
Sn2 C25 C26 C27 18.7(6) . . . . ?
C41 C26 C27 C32 -98.6(5) . . . . ?
C25 C26 C27 C32 76.6(5) . . . . ?
C41 C26 C27 C28 77.7(5) . . . . ?
C25 C26 C27 C28 -107.1(5) . . . . ?
C32 C27 C28 C29 0.1(6) . . . . ?
C26 C27 C28 C29 -176.2(4) . . . . ?
C32 C27 C28 C38 -178.3(4) . . . . ?
C26 C27 C28 C38 5.5(6) . . . . ?
C27 C28 C29 C30 -1.4(6) . . . . ?
C38 C28 C29 C30 177.0(4) . . . . ?
C28 C29 C30 C31 1.7(7) . . . . ?
C28 C29 C30 C36 -176.0(4) . . . . ?
C29 C30 C31 C32 -0.8(7) . . . . ?
C36 C30 C31 C32 176.8(5) . . . . ?
C30 C31 C32 C27 -0.4(7) . . . . ?
C30 C31 C32 C33 177.9(4) . . . . ?
C28 C27 C32 C31 0.8(6) . . . . ?
C26 C27 C32 C31 177.1(4) . . . . ?
C28 C27 C32 C33 -177.5(4) . . . . ?
C26 C27 C32 C33 -1.2(6) . . . . ?
C31 C32 C33 C35 53.3(5) . . . . ?
C27 C32 C33 C35 -128.4(4) . . . . ?
C31 C32 C33 C34 -72.6(5) . . . . ?
C27 C32 C33 C34 105.6(5) . . . . ?
C31 C30 C36 C37 11.6(8) . . . . ?
C29 C30 C36 C37 -170.8(6) . . . . ?
C31 C30 C36 C106 -114.0(6) . . . . ?
C29 C30 C36 C106 63.7(6) . . . . ?
C29 C28 C38 C39 -55.9(5) . . . . ?
C27 C28 C38 C39 122.4(4) . . . . ?
C29 C28 C38 C40 68.3(5) . . . . ?
C27 C28 C38 C40 -113.4(5) . . . . ?
C25 C26 C41 C42 0.8(7) . . . . ?
C27 C26 C41 C42 176.3(4) . . . . ?
C26 C41 C42 C43 -3.6(7) . . . . ?
C41 C42 C43 C44 1.4(7) . . . . ?
C26 C25 C44 C43 -6.4(6) . . . . ?
Sn2 C25 C44 C43 164.9(3) . . . . ?
C26 C25 C44 C45 168.6(4) . . . . ?
Sn2 C25 C44 C45 -20.1(5) . . . . ?
C42 C43 C44 C25 3.7(6) . . . . ?
C42 C43 C44 C45 -171.8(4) . . . . ?
C25 C44 C45 C50 118.8(5) . . . . ?
C43 C44 C45 C50 -66.1(5) . . . . ?
C25 C44 C45 C46 -71.7(5) . . . . ?
C43 C44 C45 C46 103.4(4) . . . . ?
C50 C45 C46 C47 2.4(5) . . . . ?
C44 C45 C46 C47 -167.1(3) . . . . ?
C50 C45 C46 C57 178.0(3) . . . . ?
C44 C45 C46 C57 8.5(5) . . . . ?
C45 C46 C47 C48 1.5(6) . . . . ?
C57 C46 C47 C48 -174.1(4) . . . . ?
C46 C47 C48 C49 -4.2(6) . . . . ?
C46 C47 C48 C54 175.0(4) . . . . ?
C47 C48 C49 C50 3.0(6) . . . . ?
C54 C48 C49 C50 -176.1(4) . . . . ?
C48 C49 C50 C45 0.7(6) . . . . ?
C48 C49 C50 C51 -179.7(4) . . . . ?
C46 C45 C50 C49 -3.5(6) . . . . ?
C44 C45 C50 C49 165.8(3) . . . . ?
C46 C45 C50 C51 177.0(3) . . . . ?
C44 C45 C50 C51 -13.7(6) . . . . ?
C49 C50 C51 C53 -65.0(5) . . . . ?
C45 C50 C51 C53 114.5(4) . . . . ?
C49 C50 C51 C52 59.0(5) . . . . ?
C45 C50 C51 C52 -121.5(4) . . . . ?
C49 C48 C54 C56 -7.6(6) . . . . ?
C47 C48 C54 C56 173.3(4) . . . . ?
C49 C48 C54 C55 117.2(5) . . . . ?
C47 C48 C54 C55 -61.9(5) . . . . ?
C47 C46 C57 C58 94.9(4) . . . . ?
C45 C46 C57 C58 -80.6(5) . . . . ?
C47 C46 C57 C59 -29.6(5) . . . . ?
C45 C46 C57 C59 154.9(4) . . . . ?
C78 C60 C61 C75 3.4(6) . . . . ?
Sn1 C60 C61 C75 -175.3(3) . . . . ?
C78 C60 C61 C62 -171.8(3) . . . . ?
Sn1 C60 C61 C62 9.5(5) . . . . ?
C75 C61 C62 C63 85.9(5) . . . . ?
C60 C61 C62 C63 -98.8(5) . . . . ?
C75 C61 C62 C68 -91.1(5) . . . . ?
C60 C61 C62 C68 84.3(5) . . . . ?
C68 C62 C63 C64 1.3(6) . . . . ?
C61 C62 C63 C64 -175.6(4) . . . . ?
C68 C62 C63 C72 -178.2(4) . . . . ?
C61 C62 C63 C72 4.9(6) . . . . ?
C62 C63 C64 C65 -1.4(7) . . . . ?
C72 C63 C64 C65 178.1(4) . . . . ?
C63 C64 C65 C67 0.7(7) . . . . ?
C63 C64 C65 C160 -178.9(5) . . . . ?
C161 C160 C65 C67 117.7(8) . . . . ?
C164 C160 C65 C67 -159.8(11) . . . . ?
C162 C160 C65 C67 -119.6(7) . . . . ?
C163 C160 C65 C67 82.5(12) . . . . ?
C161 C160 C65 C64 -62.8(9) . . . . ?
C164 C160 C65 C64 19.8(12) . . . . ?
C162 C160 C65 C64 59.9(8) . . . . ?
C163 C160 C65 C64 -97.9(11) . . . . ?
C64 C65 C67 C68 0.2(7) . . . . ?
C160 C65 C67 C68 179.8(5) . . . . ?
C65 C67 C68 C62 -0.3(7) . . . . ?
C65 C67 C68 C69 179.7(4) . . . . ?
C63 C62 C68 C67 -0.5(6) . . . . ?
C61 C62 C68 C67 176.5(4) . . . . ?
C63 C62 C68 C69 179.6(4) . . . . ?
C61 C62 C68 C69 -3.4(6) . . . . ?
C67 C68 C69 C71 52.3(6) . . . . ?
C62 C68 C69 C71 -127.8(5) . . . . ?
C67 C68 C69 C70 -71.6(6) . . . . ?
C62 C68 C69 C70 108.3(5) . . . . ?
C64 C63 C72 C73 77.4(5) . . . . ?
C62 C63 C72 C73 -103.1(5) . . . . ?
C64 C63 C72 C74 -48.3(6) . . . . ?
C62 C63 C72 C74 131.2(4) . . . . ?
C60 C61 C75 C76 -1.0(6) . . . . ?
C62 C61 C75 C76 174.5(4) . . . . ?
C61 C75 C76 C77 -0.7(6) . . . . ?
C75 C76 C77 C78 0.0(6) . . . . ?
C76 C77 C78 C60 2.5(6) . . . . ?
C76 C77 C78 C79 -171.7(4) . . . . ?
C61 C60 C78 C77 -4.1(6) . . . . ?
Sn1 C60 C78 C77 174.7(3) . . . . ?
C61 C60 C78 C79 169.5(4) . . . . ?
Sn1 C60 C78 C79 -11.7(5) . . . . ?
C77 C78 C79 C80 -73.1(5) . . . . ?
C60 C78 C79 C80 113.1(5) . . . . ?
C77 C78 C79 C87 96.9(4) . . . . ?
C60 C78 C79 C87 -76.9(5) . . . . ?
C87 C79 C80 C84 -1.9(6) . . . . ?
C78 C79 C80 C84 168.0(4) . . . . ?
C87 C79 C80 C81 -179.4(4) . . . . ?
C78 C79 C80 C81 -9.5(6) . . . . ?
C84 C80 C81 C82 55.3(5) . . . . ?
C79 C80 C81 C82 -127.2(4) . . . . ?
C84 C80 C81 C83 -69.2(6) . . . . ?
C79 C80 C81 C83 108.3(5) . . . . ?
C79 C80 C84 C85 0.7(7) . . . . ?
C81 C80 C84 C85 178.3(4) . . . . ?
C80 C84 C85 C86 2.0(7) . . . . ?
C80 C84 C85 C91 -177.3(4) . . . . ?
C84 C85 C86 C87 -3.5(7) . . . . ?
C91 C85 C86 C87 175.7(4) . . . . ?
C85 C86 C87 C79 2.4(6) . . . . ?
C85 C86 C87 C88 -171.9(4) . . . . ?
C80 C79 C87 C86 0.4(6) . . . . ?
C78 C79 C87 C86 -169.9(4) . . . . ?
C80 C79 C87 C88 174.8(4) . . . . ?
C78 C79 C87 C88 4.5(6) . . . . ?
C86 C87 C88 C90 89.1(5) . . . . ?
C79 C87 C88 C90 -85.1(5) . . . . ?
C86 C87 C88 C89 -35.1(6) . . . . ?
C79 C87 C88 C89 150.7(4) . . . . ?
C84 C85 C91 C92 -6.4(7) . . . . ?
C86 C85 C91 C92 174.4(4) . . . . ?
C84 C85 C91 C93 118.8(5) . . . . ?
C86 C85 C91 C93 -60.4(6) . . . . ?
C100 P1 C94 C95 3.6(4) . . . . ?
C1 P1 C94 C95 115.7(3) . . . . ?
Au1 P1 C94 C95 -112.8(3) . . . . ?
C100 P1 C94 C99 -175.4(3) . . . . ?
C1 P1 C94 C99 -63.2(3) . . . . ?
Au1 P1 C94 C99 68.2(3) . . . . ?
C99 C94 C95 C96 0.2(6) . . . . ?
P1 C94 C95 C96 -178.7(3) . . . . ?
C94 C95 C96 C97 0.0(7) . . . . ?
C95 C96 C97 C98 -0.3(7) . . . . ?
C96 C97 C98 C99 0.5(7) . . . . ?
C97 C98 C99 C94 -0.3(6) . . . . ?
C95 C94 C99 C98 0.0(6) . . . . ?
P1 C94 C99 C98 178.9(3) . . . . ?
C1 P1 C100 C105 174.5(3) . . . . ?
C94 P1 C100 C105 -79.8(3) . . . . ?
Au1 P1 C100 C105 42.7(3) . . . . ?
C1 P1 C100 C101 -2.2(4) . . . . ?
C94 P1 C100 C101 103.6(4) . . . . ?
Au1 P1 C100 C101 -133.9(3) . . . . ?
C105 C100 C101 C102 1.9(6) . . . . ?
P1 C100 C101 C102 178.5(3) . . . . ?
C100 C101 C102 C103 -0.8(6) . . . . ?
C101 C102 C103 C104 -0.5(6) . . . . ?
C102 C103 C104 C105 0.7(6) . . . . ?
C103 C104 C105 C100 0.4(6) . . . . ?
C101 C100 C105 C104 -1.7(6) . . . . ?
P1 C100 C105 C104 -178.6(3) . . . . ?

_refine_diff_density_max         2.710
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.136

_shelxl_version_number           2014-3

