# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_kk99_0m
_database_code_depnum_ccdc_archive 'CCDC 1457387'
_audit_update_record             
;
2016-03-03 deposited with the CCDC.
2016-03-30 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 Cl2 Ge P Sn'
_chemical_formula_weight         1017.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ge Ge 0.1547 1.8001 '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           Orthorhombic
_symmetry_space_group_name_H-M   'Pbca '

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

_cell_length_a                   16.0516(4)
_cell_length_b                   24.7557(6)
_cell_length_c                   25.9550(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     10313.7(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9819
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      28.11

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.232
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.116
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4240
_exptl_absorpt_coefficient_mu    1.235
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8963
_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            74213
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         26.37
_reflns_number_total             10523
_reflns_number_gt                8344
_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)+(0.0286P)²+6.3454P] 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         10523
_refine_ls_number_parameters     544
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0663
_refine_ls_wR_factor_gt          0.0606
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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 0.184836(10) 0.350896(6) 0.050597(6) 0.01124(5) Uani 1 1 d . . .
Ge1 Ge 0.113947(17) 0.419707(10) -0.017791(10) 0.01555(6) Uani 1 1 d . . .
Cl1 Cl -0.00819(4) 0.37279(2) -0.02951(2) 0.01903(13) Uani 1 1 d . . .
Cl2 Cl 0.11389(4) 0.26645(2) 0.05742(2) 0.01864(13) Uani 1 1 d . . .
P1 P 0.19150(4) 0.36256(2) -0.08020(2) 0.01255(13) Uani 1 1 d . . .
C1 C 0.23273(14) 0.36692(9) 0.12804(8) 0.0116(5) Uani 1 1 d . . .
C2 C 0.27720(15) 0.41596(9) 0.13293(9) 0.0125(5) Uani 1 1 d . . .
C3 C 0.31588(16) 0.42940(9) 0.17918(9) 0.0169(5) Uani 1 1 d . . .
H3 H 0.3458 0.4624 0.1819 0.020 Uiso 1 1 calc R . .
C4 C 0.31122(16) 0.39513(10) 0.22136(9) 0.0170(5) Uani 1 1 d . . .
H4 H 0.3403 0.4034 0.2522 0.020 Uiso 1 1 calc R . .
C5 C 0.26372(15) 0.34884(9) 0.21790(9) 0.0152(5) Uani 1 1 d . . .
H5 H 0.2583 0.3262 0.2473 0.018 Uiso 1 1 calc R . .
C6 C 0.22331(15) 0.33432(9) 0.17217(9) 0.0128(5) Uani 1 1 d . . .
C7 C 0.16889(15) 0.28500(9) 0.17456(8) 0.0123(5) Uani 1 1 d . . .
C8 C 0.08163(15) 0.29057(9) 0.17728(9) 0.0136(5) Uani 1 1 d . . .
C9 C 0.04103(15) 0.34637(10) 0.17562(9) 0.0171(5) Uani 1 1 d . . .
H9 H 0.0781 0.3702 0.1546 0.020 Uiso 1 1 calc R . .
C10 C -0.04492(17) 0.34707(11) 0.15022(11) 0.0267(6) Uani 1 1 d . . .
H10A H -0.0650 0.3844 0.1479 0.040 Uiso 1 1 calc R . .
H10B H -0.0839 0.3257 0.1709 0.040 Uiso 1 1 calc R . .
H10C H -0.0410 0.3316 0.1156 0.040 Uiso 1 1 calc R . .
C11 C 0.03574(19) 0.37117(11) 0.22953(10) 0.0284(7) Uani 1 1 d . . .
H11A H 0.0135 0.4080 0.2271 0.043 Uiso 1 1 calc R . .
H11B H 0.0915 0.3723 0.2449 0.043 Uiso 1 1 calc R . .
H11C H -0.0011 0.3492 0.2511 0.043 Uiso 1 1 calc R . .
C12 C 0.03338(15) 0.24408(9) 0.18159(9) 0.0143(5) Uani 1 1 d . . .
H12 H -0.0254 0.2476 0.1842 0.017 Uiso 1 1 calc R . .
C13 C 0.06820(15) 0.19257(9) 0.18224(9) 0.0156(5) Uani 1 1 d . . .
C14 C 0.01431(16) 0.14226(10) 0.18292(9) 0.0190(5) Uani 1 1 d . . .
H14 H -0.0453 0.1540 0.1824 0.023 Uiso 1 1 calc R . .
C15 C 0.02969(18) 0.10781(10) 0.13460(11) 0.0281(6) Uani 1 1 d . . .
H15A H -0.0074 0.0764 0.1350 0.042 Uiso 1 1 calc R . .
H15B H 0.0878 0.0956 0.1342 0.042 Uiso 1 1 calc R . .
H15C H 0.0186 0.1295 0.1038 0.042 Uiso 1 1 calc R . .
C16 C 0.02802(18) 0.10891(11) 0.23170(10) 0.0271(6) Uani 1 1 d . . .
H16A H -0.0104 0.0781 0.2319 0.041 Uiso 1 1 calc R . .
H16B H 0.0177 0.1315 0.2620 0.041 Uiso 1 1 calc R . .
H16C H 0.0856 0.0957 0.2325 0.041 Uiso 1 1 calc R . .
C17 C 0.15437(15) 0.18841(9) 0.18054(9) 0.0156(5) Uani 1 1 d . . .
H17 H 0.1792 0.1536 0.1820 0.019 Uiso 1 1 calc R . .
C18 C 0.20567(15) 0.23359(9) 0.17673(9) 0.0140(5) Uani 1 1 d . . .
C19 C 0.29960(15) 0.22521(10) 0.17277(10) 0.0185(6) Uani 1 1 d . . .
H19 H 0.3258 0.2614 0.1671 0.022 Uiso 1 1 calc R . .
C20 C 0.32151(17) 0.18956(10) 0.12657(11) 0.0275(6) Uani 1 1 d . . .
H20A H 0.3822 0.1871 0.1232 0.041 Uiso 1 1 calc R . .
H20B H 0.2980 0.2054 0.0952 0.041 Uiso 1 1 calc R . .
H20C H 0.2984 0.1533 0.1317 0.041 Uiso 1 1 calc R . .
C21 C 0.33529(18) 0.20187(12) 0.22283(11) 0.0325(7) Uani 1 1 d . . .
H21A H 0.3959 0.1984 0.2197 0.049 Uiso 1 1 calc R . .
H21B H 0.3108 0.1662 0.2292 0.049 Uiso 1 1 calc R . .
H21C H 0.3220 0.2261 0.2516 0.049 Uiso 1 1 calc R . .
C22 C 0.27580(15) 0.45738(9) 0.09066(9) 0.0137(5) Uani 1 1 d . . .
C23 C 0.20817(15) 0.49354(9) 0.08901(9) 0.0157(5) Uani 1 1 d . . .
C24 C 0.20750(16) 0.53372(9) 0.05138(9) 0.0176(5) Uani 1 1 d . . .
H24 H 0.1623 0.5585 0.0503 0.021 Uiso 1 1 calc R . .
C25 C 0.27126(16) 0.53843(9) 0.01545(9) 0.0163(5) Uani 1 1 d . . .
C26 C 0.27109(17) 0.58307(10) -0.02503(10) 0.0232(6) Uani 1 1 d . . .
H26 H 0.3177 0.5756 -0.0496 0.028 Uiso 1 1 calc R . .
C27 C 0.19054(18) 0.58484(12) -0.05611(11) 0.0328(7) Uani 1 1 d . . .
H27A H 0.1963 0.6109 -0.0843 0.049 Uiso 1 1 calc R . .
H27B H 0.1445 0.5958 -0.0336 0.049 Uiso 1 1 calc R . .
H27C H 0.1791 0.5490 -0.0704 0.049 Uiso 1 1 calc R . .
C28 C 0.2883(2) 0.63758(11) 0.00019(13) 0.0443(9) Uani 1 1 d . . .
H28A H 0.2918 0.6656 -0.0264 0.066 Uiso 1 1 calc R . .
H28B H 0.3410 0.6359 0.0191 0.066 Uiso 1 1 calc R . .
H28C H 0.2430 0.6463 0.0241 0.066 Uiso 1 1 calc R . .
C29 C 0.33700(15) 0.50205(9) 0.01780(9) 0.0166(5) Uani 1 1 d . . .
H29 H 0.3806 0.5049 -0.0068 0.020 Uiso 1 1 calc R . .
C30 C 0.34114(15) 0.46151(9) 0.05504(9) 0.0147(5) Uani 1 1 d . . .
C31 C 0.41751(15) 0.42499(10) 0.05850(9) 0.0155(5) Uani 1 1 d . . .
H31 H 0.3994 0.3902 0.0746 0.019 Uiso 1 1 calc R . .
C32 C 0.45646(16) 0.41135(10) 0.00597(9) 0.0179(5) Uani 1 1 d . . .
H32A H 0.5013 0.3849 0.0107 0.027 Uiso 1 1 calc R . .
H32B H 0.4793 0.4443 -0.0095 0.027 Uiso 1 1 calc R . .
H32C H 0.4137 0.3962 -0.0168 0.027 Uiso 1 1 calc R . .
C33 C 0.48410(16) 0.44984(10) 0.09338(10) 0.0216(6) Uani 1 1 d . . .
H33A H 0.5314 0.4250 0.0963 0.032 Uiso 1 1 calc R . .
H33B H 0.4605 0.4563 0.1277 0.032 Uiso 1 1 calc R . .
H33C H 0.5031 0.4841 0.0786 0.032 Uiso 1 1 calc R . .
C34 C 0.13834(16) 0.49135(10) 0.12892(10) 0.0193(6) Uani 1 1 d . . .
H34 H 0.1458 0.4572 0.1490 0.023 Uiso 1 1 calc R . .
C35 C 0.05153(18) 0.48957(13) 0.10520(11) 0.0339(7) Uani 1 1 d . . .
H35A H 0.0098 0.4871 0.1326 0.051 Uiso 1 1 calc R . .
H35B H 0.0470 0.4580 0.0826 0.051 Uiso 1 1 calc R . .
H35C H 0.0420 0.5225 0.0851 0.051 Uiso 1 1 calc R . .
C36 C 0.1453(2) 0.53814(13) 0.16695(13) 0.0500(10) Uani 1 1 d . . .
H36A H 0.1053 0.5329 0.1951 0.075 Uiso 1 1 calc R . .
H36B H 0.1332 0.5722 0.1492 0.075 Uiso 1 1 calc R . .
H36C H 0.2019 0.5394 0.1810 0.075 Uiso 1 1 calc R . .
C37 C 0.28524(15) 0.32122(9) 0.00234(9) 0.0120(5) Uani 1 1 d . . .
C38 C 0.35203(15) 0.29162(9) 0.02221(9) 0.0155(5) Uani 1 1 d . . .
H38 H 0.3561 0.2864 0.0584 0.019 Uiso 1 1 calc R . .
C39 C 0.41235(16) 0.26979(10) -0.00956(9) 0.0183(5) Uani 1 1 d . . .
H39 H 0.4563 0.2489 0.0047 0.022 Uiso 1 1 calc R . .
C40 C 0.40875(16) 0.27834(10) -0.06219(9) 0.0190(6) Uani 1 1 d . . .
H40 H 0.4509 0.2641 -0.0840 0.023 Uiso 1 1 calc R . .
C41 C 0.34365(15) 0.30772(9) -0.08311(9) 0.0165(5) Uani 1 1 d . . .
H41 H 0.3415 0.3137 -0.1192 0.020 Uiso 1 1 calc R . .
C42 C 0.28086(14) 0.32877(9) -0.05136(9) 0.0128(5) Uani 1 1 d . . .
C43 C 0.23251(15) 0.40627(9) -0.13187(9) 0.0159(5) Uani 1 1 d . . .
H43 H 0.2590 0.3826 -0.1584 0.019 Uiso 1 1 calc R . .
C44 C 0.29865(16) 0.44595(10) -0.11243(10) 0.0213(6) Uani 1 1 d . . .
H44A H 0.3451 0.4258 -0.0964 0.026 Uiso 1 1 calc R . .
H44B H 0.2741 0.4700 -0.0860 0.026 Uiso 1 1 calc R . .
C45 C 0.33156(17) 0.47978(11) -0.15750(11) 0.0278(7) Uani 1 1 d . . .
H45A H 0.3729 0.5061 -0.1444 0.033 Uiso 1 1 calc R . .
H45B H 0.3602 0.4558 -0.1823 0.033 Uiso 1 1 calc R . .
C46 C 0.26186(18) 0.50995(11) -0.18507(11) 0.0278(7) Uani 1 1 d . . .
H46A H 0.2377 0.5373 -0.1615 0.033 Uiso 1 1 calc R . .
H46B H 0.2850 0.5291 -0.2154 0.033 Uiso 1 1 calc R . .
C47 C 0.19372(17) 0.47128(11) -0.20260(10) 0.0249(6) Uani 1 1 d . . .
H47A H 0.2161 0.4471 -0.2297 0.030 Uiso 1 1 calc R . .
H47B H 0.1472 0.4922 -0.2177 0.030 Uiso 1 1 calc R . .
C48 C 0.16100(16) 0.43722(10) -0.15787(10) 0.0190(6) Uani 1 1 d . . .
H48A H 0.1190 0.4113 -0.1708 0.023 Uiso 1 1 calc R . .
H48B H 0.1336 0.4610 -0.1323 0.023 Uiso 1 1 calc R . .
C49 C 0.12864(15) 0.31004(9) -0.11283(9) 0.0145(5) Uani 1 1 d . . .
H49 H 0.0731 0.3265 -0.1205 0.017 Uiso 1 1 calc R . .
C50 C 0.11329(16) 0.26332(9) -0.07537(9) 0.0172(5) Uani 1 1 d . . .
H50A H 0.1673 0.2468 -0.0658 0.021 Uiso 1 1 calc R . .
H50B H 0.0873 0.2775 -0.0436 0.021 Uiso 1 1 calc R . .
C51 C 0.05700(18) 0.22015(10) -0.09863(10) 0.0237(6) Uani 1 1 d . . .
H51A H 0.0510 0.1899 -0.0740 0.028 Uiso 1 1 calc R . .
H51B H 0.0010 0.2356 -0.1049 0.028 Uiso 1 1 calc R . .
C52 C 0.09289(19) 0.19916(11) -0.14908(10) 0.0285(7) Uani 1 1 d . . .
H52A H 0.0541 0.1726 -0.1645 0.034 Uiso 1 1 calc R . .
H52B H 0.1465 0.1807 -0.1424 0.034 Uiso 1 1 calc R . .
C53 C 0.10672(18) 0.24585(11) -0.18661(9) 0.0240(6) Uani 1 1 d . . .
H53A H 0.1316 0.2317 -0.2188 0.029 Uiso 1 1 calc R . .
H53B H 0.0523 0.2623 -0.1954 0.029 Uiso 1 1 calc R . .
C54 C 0.16382(16) 0.28920(10) -0.16407(9) 0.0192(6) Uani 1 1 d . . .
H54A H 0.1689 0.3196 -0.1887 0.023 Uiso 1 1 calc R . .
H54B H 0.2201 0.2739 -0.1584 0.023 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 2.169(2) . ?
Sn1 C1 2.188(2) . ?
Sn1 Cl2 2.3871(6) . ?
Sn1 Ge1 2.7106(3) . ?
Ge1 Cl1 2.2990(7) . ?
Ge1 P1 2.4849(6) . ?
P1 C42 1.821(2) . ?
P1 C43 1.845(2) . ?
P1 C49 1.851(2) . ?
C1 C6 1.409(3) . ?
C1 C2 1.414(3) . ?
C2 C3 1.392(3) . ?
C2 C22 1.502(3) . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.503(3) . ?
C7 C18 1.404(3) . ?
C7 C8 1.409(3) . ?
C8 C12 1.392(3) . ?
C8 C9 1.528(3) . ?
C9 C10 1.529(4) . ?
C9 C11 1.530(3) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C13 C17 1.388(3) . ?
C13 C14 1.517(3) . ?
C14 C16 1.527(3) . ?
C14 C15 1.536(4) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.525(3) . ?
C19 C20 1.530(4) . ?
C19 C21 1.533(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 1.402(3) . ?
C22 C23 1.408(3) . ?
C23 C24 1.394(3) . ?
C23 C34 1.527(3) . ?
C24 C25 1.389(3) . ?
C24 H24 0.9500 . ?
C25 C29 1.389(3) . ?
C25 C26 1.525(3) . ?
C26 C27 1.525(4) . ?
C26 C28 1.525(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 1.395(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.526(3) . ?
C31 C33 1.530(3) . ?
C31 C32 1.537(3) . ?
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 C35 1.524(4) . ?
C34 C36 1.526(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.397(3) . ?
C37 C42 1.408(3) . ?
C38 C39 1.382(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.384(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.402(3) . ?
C41 H41 0.9500 . ?
C43 C44 1.532(3) . ?
C43 C48 1.536(3) . ?
C43 H43 1.0000 . ?
C44 C45 1.533(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.524(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.523(4) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.528(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.531(3) . ?
C49 C54 1.534(3) . ?
C49 H49 1.0000 . ?
C50 C51 1.524(3) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.522(4) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.528(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.528(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C37 Sn1 C1 109.31(9) . . ?
C37 Sn1 Cl2 95.78(6) . . ?
C1 Sn1 Cl2 104.96(6) . . ?
C37 Sn1 Ge1 98.43(6) . . ?
C1 Sn1 Ge1 129.42(6) . . ?
Cl2 Sn1 Ge1 113.496(17) . . ?
Cl1 Ge1 P1 93.05(2) . . ?
Cl1 Ge1 Sn1 97.304(18) . . ?
P1 Ge1 Sn1 81.879(16) . . ?
C42 P1 C43 106.69(11) . . ?
C42 P1 C49 107.14(11) . . ?
C43 P1 C49 105.89(11) . . ?
C42 P1 Ge1 112.84(8) . . ?
C43 P1 Ge1 108.58(8) . . ?
C49 P1 Ge1 115.16(8) . . ?
C6 C1 C2 118.2(2) . . ?
C6 C1 Sn1 127.23(17) . . ?
C2 C1 Sn1 114.55(16) . . ?
C3 C2 C1 120.5(2) . . ?
C3 C2 C22 118.3(2) . . ?
C1 C2 C22 120.9(2) . . ?
C4 C3 C2 120.7(2) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 119.1(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.6(2) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 C7 116.3(2) . . ?
C1 C6 C7 124.1(2) . . ?
C18 C7 C8 120.3(2) . . ?
C18 C7 C6 119.6(2) . . ?
C8 C7 C6 120.0(2) . . ?
C12 C8 C7 118.4(2) . . ?
C12 C8 C9 120.8(2) . . ?
C7 C8 C9 120.7(2) . . ?
C8 C9 C10 114.0(2) . . ?
C8 C9 C11 111.1(2) . . ?
C10 C9 C11 109.9(2) . . ?
C8 C9 H9 107.2 . . ?
C10 C9 H9 107.2 . . ?
C11 C9 H9 107.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 C13 122.3(2) . . ?
C8 C12 H12 118.8 . . ?
C13 C12 H12 118.8 . . ?
C17 C13 C12 117.9(2) . . ?
C17 C13 C14 120.5(2) . . ?
C12 C13 C14 121.6(2) . . ?
C13 C14 C16 111.8(2) . . ?
C13 C14 C15 110.8(2) . . ?
C16 C14 C15 110.7(2) . . ?
C13 C14 H14 107.8 . . ?
C16 C14 H14 107.8 . . ?
C15 C14 H14 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 C18 122.1(2) . . ?
C13 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C17 C18 C7 118.8(2) . . ?
C17 C18 C19 118.7(2) . . ?
C7 C18 C19 122.4(2) . . ?
C18 C19 C20 111.0(2) . . ?
C18 C19 C21 111.3(2) . . ?
C20 C19 C21 111.2(2) . . ?
C18 C19 H19 107.7 . . ?
C20 C19 H19 107.7 . . ?
C21 C19 H19 107.7 . . ?
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 120.7(2) . . ?
C30 C22 C2 121.3(2) . . ?
C23 C22 C2 117.9(2) . . ?
C24 C23 C22 118.7(2) . . ?
C24 C23 C34 119.7(2) . . ?
C22 C23 C34 121.5(2) . . ?
C25 C24 C23 121.6(2) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C29 C25 C24 118.4(2) . . ?
C29 C25 C26 120.1(2) . . ?
C24 C25 C26 121.5(2) . . ?
C27 C26 C25 112.8(2) . . ?
C27 C26 C28 110.8(2) . . ?
C25 C26 C28 110.2(2) . . ?
C27 C26 H26 107.6 . . ?
C25 C26 H26 107.6 . . ?
C28 C26 H26 107.6 . . ?
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 122.2(2) . . ?
C25 C29 H29 118.9 . . ?
C30 C29 H29 118.9 . . ?
C29 C30 C22 118.3(2) . . ?
C29 C30 C31 120.4(2) . . ?
C22 C30 C31 121.3(2) . . ?
C30 C31 C33 111.0(2) . . ?
C30 C31 C32 113.9(2) . . ?
C33 C31 C32 109.2(2) . . ?
C30 C31 H31 107.5 . . ?
C33 C31 H31 107.5 . . ?
C32 C31 H31 107.5 . . ?
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 . . ?
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 . . ?
C35 C34 C36 110.5(2) . . ?
C35 C34 C23 113.5(2) . . ?
C36 C34 C23 111.0(2) . . ?
C35 C34 H34 107.2 . . ?
C36 C34 H34 107.2 . . ?
C23 C34 H34 107.2 . . ?
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 . . ?
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 . . ?
C38 C37 C42 118.3(2) . . ?
C38 C37 Sn1 122.31(17) . . ?
C42 C37 Sn1 119.31(17) . . ?
C39 C38 C37 121.5(2) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C38 C39 C40 120.0(2) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 C41 119.9(2) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.5(2) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 119.8(2) . . ?
C41 C42 P1 119.68(18) . . ?
C37 C42 P1 120.47(18) . . ?
C44 C43 C48 110.0(2) . . ?
C44 C43 P1 112.58(16) . . ?
C48 C43 P1 110.20(16) . . ?
C44 C43 H43 108.0 . . ?
C48 C43 H43 108.0 . . ?
P1 C43 H43 108.0 . . ?
C43 C44 C45 109.7(2) . . ?
C43 C44 H44A 109.7 . . ?
C45 C44 H44A 109.7 . . ?
C43 C44 H44B 109.7 . . ?
C45 C44 H44B 109.7 . . ?
H44A C44 H44B 108.2 . . ?
C46 C45 C44 111.9(2) . . ?
C46 C45 H45A 109.2 . . ?
C44 C45 H45A 109.2 . . ?
C46 C45 H45B 109.2 . . ?
C44 C45 H45B 109.2 . . ?
H45A C45 H45B 107.9 . . ?
C47 C46 C45 111.1(2) . . ?
C47 C46 H46A 109.4 . . ?
C45 C46 H46A 109.4 . . ?
C47 C46 H46B 109.4 . . ?
C45 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C46 C47 C48 111.5(2) . . ?
C46 C47 H47A 109.3 . . ?
C48 C47 H47A 109.3 . . ?
C46 C47 H47B 109.3 . . ?
C48 C47 H47B 109.3 . . ?
H47A C47 H47B 108.0 . . ?
C47 C48 C43 110.6(2) . . ?
C47 C48 H48A 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 108.1 . . ?
C50 C49 C54 110.85(19) . . ?
C50 C49 P1 109.13(16) . . ?
C54 C49 P1 115.61(17) . . ?
C50 C49 H49 106.9 . . ?
C54 C49 H49 106.9 . . ?
P1 C49 H49 106.9 . . ?
C51 C50 C49 111.9(2) . . ?
C51 C50 H50A 109.2 . . ?
C49 C50 H50A 109.2 . . ?
C51 C50 H50B 109.2 . . ?
C49 C50 H50B 109.2 . . ?
H50A C50 H50B 107.9 . . ?
C52 C51 C50 110.8(2) . . ?
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 110.2(2) . . ?
C51 C52 H52A 109.6 . . ?
C53 C52 H52A 109.6 . . ?
C51 C52 H52B 109.6 . . ?
C53 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
C54 C53 C52 112.0(2) . . ?
C54 C53 H53A 109.2 . . ?
C52 C53 H53A 109.2 . . ?
C54 C53 H53B 109.2 . . ?
C52 C53 H53B 109.2 . . ?
H53A C53 H53B 107.9 . . ?
C53 C54 C49 110.3(2) . . ?
C53 C54 H54A 109.6 . . ?
C49 C54 H54A 109.6 . . ?
C53 C54 H54B 109.6 . . ?
C49 C54 H54B 109.6 . . ?
H54A C54 H54B 108.1 . . ?

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 Ge1 Cl1 111.99(6) . . . . ?
C1 Sn1 Ge1 Cl1 -124.33(8) . . . . ?
Cl2 Sn1 Ge1 Cl1 11.88(2) . . . . ?
C37 Sn1 Ge1 P1 19.93(6) . . . . ?
C1 Sn1 Ge1 P1 143.61(8) . . . . ?
Cl2 Sn1 Ge1 P1 -80.18(2) . . . . ?
Cl1 Ge1 P1 C42 -120.95(8) . . . . ?
Sn1 Ge1 P1 C42 -24.00(8) . . . . ?
Cl1 Ge1 P1 C43 121.00(8) . . . . ?
Sn1 Ge1 P1 C43 -142.05(8) . . . . ?
Cl1 Ge1 P1 C49 2.50(8) . . . . ?
Sn1 Ge1 P1 C49 99.45(8) . . . . ?
C37 Sn1 C1 C6 -101.9(2) . . . . ?
Cl2 Sn1 C1 C6 -0.1(2) . . . . ?
Ge1 Sn1 C1 C6 138.81(17) . . . . ?
C37 Sn1 C1 C2 78.59(18) . . . . ?
Cl2 Sn1 C1 C2 -179.63(15) . . . . ?
Ge1 Sn1 C1 C2 -40.7(2) . . . . ?
C6 C1 C2 C3 4.8(3) . . . . ?
Sn1 C1 C2 C3 -175.61(18) . . . . ?
C6 C1 C2 C22 -168.2(2) . . . . ?
Sn1 C1 C2 C22 11.3(3) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C22 C2 C3 C4 172.9(2) . . . . ?
C2 C3 C4 C5 -3.6(4) . . . . ?
C3 C4 C5 C6 3.0(4) . . . . ?
C4 C5 C6 C1 1.6(4) . . . . ?
C4 C5 C6 C7 -176.0(2) . . . . ?
C2 C1 C6 C5 -5.4(3) . . . . ?
Sn1 C1 C6 C5 175.09(17) . . . . ?
C2 C1 C6 C7 171.9(2) . . . . ?
Sn1 C1 C6 C7 -7.6(3) . . . . ?
C5 C6 C7 C18 -74.0(3) . . . . ?
C1 C6 C7 C18 108.6(3) . . . . ?
C5 C6 C7 C8 102.8(3) . . . . ?
C1 C6 C7 C8 -74.7(3) . . . . ?
C18 C7 C8 C12 -0.7(3) . . . . ?
C6 C7 C8 C12 -177.4(2) . . . . ?
C18 C7 C8 C9 179.2(2) . . . . ?
C6 C7 C8 C9 2.5(3) . . . . ?
C12 C8 C9 C10 -31.8(3) . . . . ?
C7 C8 C9 C10 148.3(2) . . . . ?
C12 C8 C9 C11 93.0(3) . . . . ?
C7 C8 C9 C11 -86.8(3) . . . . ?
C7 C8 C12 C13 -1.3(3) . . . . ?
C9 C8 C12 C13 178.8(2) . . . . ?
C8 C12 C13 C17 2.6(4) . . . . ?
C8 C12 C13 C14 -175.3(2) . . . . ?
C17 C13 C14 C16 64.4(3) . . . . ?
C12 C13 C14 C16 -117.8(3) . . . . ?
C17 C13 C14 C15 -59.6(3) . . . . ?
C12 C13 C14 C15 118.3(3) . . . . ?
C12 C13 C17 C18 -1.9(4) . . . . ?
C14 C13 C17 C18 176.0(2) . . . . ?
C13 C17 C18 C7 0.0(4) . . . . ?
C13 C17 C18 C19 -177.4(2) . . . . ?
C8 C7 C18 C17 1.3(3) . . . . ?
C6 C7 C18 C17 178.0(2) . . . . ?
C8 C7 C18 C19 178.6(2) . . . . ?
C6 C7 C18 C19 -4.6(3) . . . . ?
C17 C18 C19 C20 57.2(3) . . . . ?
C7 C18 C19 C20 -120.2(2) . . . . ?
C17 C18 C19 C21 -67.2(3) . . . . ?
C7 C18 C19 C21 115.4(3) . . . . ?
C3 C2 C22 C30 87.8(3) . . . . ?
C1 C2 C22 C30 -99.0(3) . . . . ?
C3 C2 C22 C23 -89.8(3) . . . . ?
C1 C2 C22 C23 83.5(3) . . . . ?
C30 C22 C23 C24 -0.2(3) . . . . ?
C2 C22 C23 C24 177.3(2) . . . . ?
C30 C22 C23 C34 -177.2(2) . . . . ?
C2 C22 C23 C34 0.4(3) . . . . ?
C22 C23 C24 C25 0.7(4) . . . . ?
C34 C23 C24 C25 177.7(2) . . . . ?
C23 C24 C25 C29 -0.3(4) . . . . ?
C23 C24 C25 C26 -178.9(2) . . . . ?
C29 C25 C26 C27 128.1(3) . . . . ?
C24 C25 C26 C27 -53.4(3) . . . . ?
C29 C25 C26 C28 -107.5(3) . . . . ?
C24 C25 C26 C28 71.0(3) . . . . ?
C24 C25 C29 C30 -0.4(4) . . . . ?
C26 C25 C29 C30 178.1(2) . . . . ?
C25 C29 C30 C22 0.8(3) . . . . ?
C25 C29 C30 C31 -175.7(2) . . . . ?
C23 C22 C30 C29 -0.5(3) . . . . ?
C2 C22 C30 C29 -178.0(2) . . . . ?
C23 C22 C30 C31 176.0(2) . . . . ?
C2 C22 C30 C31 -1.5(3) . . . . ?
C29 C30 C31 C33 88.1(3) . . . . ?
C22 C30 C31 C33 -88.3(3) . . . . ?
C29 C30 C31 C32 -35.6(3) . . . . ?
C22 C30 C31 C32 148.0(2) . . . . ?
C24 C23 C34 C35 54.2(3) . . . . ?
C22 C23 C34 C35 -128.9(3) . . . . ?
C24 C23 C34 C36 -70.9(3) . . . . ?
C22 C23 C34 C36 106.0(3) . . . . ?
C1 Sn1 C37 C38 30.1(2) . . . . ?
Cl2 Sn1 C37 C38 -78.03(18) . . . . ?
Ge1 Sn1 C37 C38 167.13(18) . . . . ?
C1 Sn1 C37 C42 -154.19(17) . . . . ?
Cl2 Sn1 C37 C42 97.72(17) . . . . ?
Ge1 Sn1 C37 C42 -17.12(18) . . . . ?
C42 C37 C38 C39 -0.4(3) . . . . ?
Sn1 C37 C38 C39 175.37(18) . . . . ?
C37 C38 C39 C40 1.9(4) . . . . ?
C38 C39 C40 C41 -1.5(4) . . . . ?
C39 C40 C41 C42 -0.3(4) . . . . ?
C40 C41 C42 C37 1.7(4) . . . . ?
C40 C41 C42 P1 -175.05(19) . . . . ?
C38 C37 C42 C41 -1.4(3) . . . . ?
Sn1 C37 C42 C41 -177.27(17) . . . . ?
C38 C37 C42 P1 175.40(17) . . . . ?
Sn1 C37 C42 P1 -0.5(3) . . . . ?
C43 P1 C42 C41 -43.1(2) . . . . ?
C49 P1 C42 C41 70.0(2) . . . . ?
Ge1 P1 C42 C41 -162.23(16) . . . . ?
C43 P1 C42 C37 140.18(19) . . . . ?
C49 P1 C42 C37 -106.8(2) . . . . ?
Ge1 P1 C42 C37 21.0(2) . . . . ?
C42 P1 C43 C44 -55.8(2) . . . . ?
C49 P1 C43 C44 -169.73(18) . . . . ?
Ge1 P1 C43 C44 66.07(18) . . . . ?
C42 P1 C43 C48 -179.08(16) . . . . ?
C49 P1 C43 C48 67.01(19) . . . . ?
Ge1 P1 C43 C48 -57.19(17) . . . . ?
C48 C43 C44 C45 -58.2(3) . . . . ?
P1 C43 C44 C45 178.46(18) . . . . ?
C43 C44 C45 C46 57.0(3) . . . . ?
C44 C45 C46 C47 -55.0(3) . . . . ?
C45 C46 C47 C48 54.3(3) . . . . ?
C46 C47 C48 C43 -56.3(3) . . . . ?
C44 C43 C48 C47 58.3(3) . . . . ?
P1 C43 C48 C47 -177.00(17) . . . . ?
C42 P1 C49 C50 50.21(19) . . . . ?
C43 P1 C49 C50 163.80(17) . . . . ?
Ge1 P1 C49 C50 -76.21(17) . . . . ?
C42 P1 C49 C54 -75.5(2) . . . . ?
C43 P1 C49 C54 38.1(2) . . . . ?
Ge1 P1 C49 C54 158.06(15) . . . . ?
C54 C49 C50 C51 -55.3(3) . . . . ?
P1 C49 C50 C51 176.29(18) . . . . ?
C49 C50 C51 C52 56.2(3) . . . . ?
C50 C51 C52 C53 -56.3(3) . . . . ?
C51 C52 C53 C54 57.2(3) . . . . ?
C52 C53 C54 C49 -56.3(3) . . . . ?
C50 C49 C54 C53 54.6(3) . . . . ?
P1 C49 C54 C53 179.45(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.075
####################################################################### 
# 
# 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_kk105_0m
_database_code_depnum_ccdc_archive 'CCDC 1457388'
_audit_update_record             
;
2016-03-03 deposited with the CCDC.
2016-03-30 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 Cl2 P Sn2'
_chemical_formula_weight         1063.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbca '

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

_cell_length_a                   16.0688(4)
_cell_length_b                   24.6470(6)
_cell_length_c                   26.0868(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     10331.6(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9412
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      28.28

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.372
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.181
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4384
_exptl_absorpt_coefficient_mu    1.135
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7969
_exptl_absorpt_correction_T_max  0.9347
_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            158517
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         26.37
_reflns_number_total             10546
_reflns_number_gt                9227
_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)+(0.0171P)²+11.3757P] 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         10546
_refine_ls_number_parameters     544
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0226
_refine_ls_wR_factor_ref         0.0481
_refine_ls_wR_factor_gt          0.0454
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.009
_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 0.816206(8) 0.648465(5) 0.947541(4) 0.01055(3) Uani 1 1 d . . .
Cl1 Cl 0.88532(3) 0.734105(19) 0.942133(17) 0.01741(10) Uani 1 1 d . . .
Cl2 Cl 1.02032(3) 0.631377(19) 1.031212(19) 0.01846(10) Uani 1 1 d . . .
Sn2 Sn 0.898063(8) 0.573174(5) 1.015392(5) 0.01377(4) Uani 1 1 d . . .
P1 P 0.80905(3) 0.635113(19) 1.080731(17) 0.01167(10) Uani 1 1 d . . .
C1 C 0.71697(12) 0.67691(7) 0.99751(7) 0.0121(4) Uani 1 1 d . . .
C2 C 0.72050(12) 0.66923(7) 1.05096(7) 0.0130(4) Uani 1 1 d . . .
C3 C 0.65796(12) 0.69052(8) 1.08243(7) 0.0158(4) Uani 1 1 d . . .
H3 H 0.6600 0.6845 1.1184 0.019 Uiso 1 1 calc R . .
C4 C 0.59327(12) 0.72030(8) 1.06168(7) 0.0178(4) Uani 1 1 d . . .
H4 H 0.5511 0.7346 1.0833 0.021 Uiso 1 1 calc R . .
C5 C 0.59004(12) 0.72935(8) 1.00920(8) 0.0177(4) Uani 1 1 d . . .
H5 H 0.5464 0.7505 0.9949 0.021 Uiso 1 1 calc R . .
C6 C 0.65083(12) 0.70727(8) 0.97775(7) 0.0148(4) Uani 1 1 d . . .
H6 H 0.6474 0.7129 0.9418 0.018 Uiso 1 1 calc R . .
C7 C 0.87161(12) 0.68838(8) 1.11303(7) 0.0137(4) Uani 1 1 d . . .
H7 H 0.9273 0.6722 1.1206 0.016 Uiso 1 1 calc R . .
C8 C 0.83676(13) 0.70969(8) 1.16396(7) 0.0184(4) Uani 1 1 d . . .
H8A H 0.7807 0.7252 1.1583 0.022 Uiso 1 1 calc R . .
H8B H 0.8316 0.6794 1.1886 0.022 Uiso 1 1 calc R . .
C9 C 0.89430(14) 0.75328(9) 1.18611(7) 0.0231(5) Uani 1 1 d . . .
H9A H 0.8698 0.7676 1.2182 0.028 Uiso 1 1 calc R . .
H9B H 0.9487 0.7367 1.1947 0.028 Uiso 1 1 calc R . .
C10 C 0.90798(15) 0.79991(9) 1.14873(8) 0.0267(5) Uani 1 1 d . . .
H10A H 0.8546 0.8188 1.1425 0.032 Uiso 1 1 calc R . .
H10B H 0.9474 0.8263 1.1638 0.032 Uiso 1 1 calc R . .
C11 C 0.94256(14) 0.77869(8) 1.09819(8) 0.0219(5) Uani 1 1 d . . .
H11A H 0.9986 0.7632 1.1040 0.026 Uiso 1 1 calc R . .
H11B H 0.9481 0.8091 1.0737 0.026 Uiso 1 1 calc R . .
C12 C 0.88592(13) 0.73530(8) 1.07529(7) 0.0167(4) Uani 1 1 d . . .
H12A H 0.9114 0.7210 1.0435 0.020 Uiso 1 1 calc R . .
H12B H 0.8317 0.7518 1.0662 0.020 Uiso 1 1 calc R . .
C13 C 0.76724(12) 0.59223(8) 1.13249(7) 0.0148(4) Uani 1 1 d . . .
H13 H 0.7413 0.6165 1.1587 0.018 Uiso 1 1 calc R . .
C14 C 0.70050(12) 0.55259(8) 1.11363(8) 0.0190(4) Uani 1 1 d . . .
H14A H 0.7244 0.5284 1.0872 0.023 Uiso 1 1 calc R . .
H14B H 0.6539 0.5730 1.0980 0.023 Uiso 1 1 calc R . .
C15 C 0.66811(13) 0.51867(9) 1.15871(8) 0.0246(5) Uani 1 1 d . . .
H15A H 0.6399 0.5429 1.1835 0.030 Uiso 1 1 calc R . .
H15B H 0.6265 0.4923 1.1459 0.030 Uiso 1 1 calc R . .
C16 C 0.73777(14) 0.48815(9) 1.18589(8) 0.0239(5) Uani 1 1 d . . .
H16A H 0.7617 0.4607 1.1624 0.029 Uiso 1 1 calc R . .
H16B H 0.7149 0.4689 1.2161 0.029 Uiso 1 1 calc R . .
C17 C 0.80610(13) 0.52711(9) 1.20317(8) 0.0213(4) Uani 1 1 d . . .
H17A H 0.8526 0.5061 1.2182 0.026 Uiso 1 1 calc R . .
H17B H 0.7839 0.5515 1.2301 0.026 Uiso 1 1 calc R . .
C18 C 0.83864(12) 0.56121(8) 1.15832(7) 0.0179(4) Uani 1 1 d . . .
H18A H 0.8658 0.5372 1.1329 0.021 Uiso 1 1 calc R . .
H18B H 0.8807 0.5873 1.1710 0.021 Uiso 1 1 calc R . .
C19 C 0.76441(11) 0.63393(7) 0.87096(7) 0.0112(4) Uani 1 1 d . . .
C20 C 0.71865(11) 0.58523(7) 0.86626(7) 0.0122(4) Uani 1 1 d . . .
C21 C 0.67882(12) 0.57242(8) 0.82029(7) 0.0149(4) Uani 1 1 d . . .
H21 H 0.6472 0.5400 0.8178 0.018 Uiso 1 1 calc R . .
C22 C 0.68496(12) 0.60657(8) 0.77821(7) 0.0157(4) Uani 1 1 d . . .
H22 H 0.6558 0.5985 0.7475 0.019 Uiso 1 1 calc R . .
C23 C 0.73402(12) 0.65247(8) 0.78155(7) 0.0147(4) Uani 1 1 d . . .
H23 H 0.7402 0.6750 0.7522 0.018 Uiso 1 1 calc R . .
C24 C 0.77485(11) 0.66664(7) 0.82706(7) 0.0118(4) Uani 1 1 d . . .
C25 C 0.82957(12) 0.71589(7) 0.82481(7) 0.0124(4) Uani 1 1 d . . .
C26 C 0.91695(12) 0.70984(8) 0.82264(7) 0.0132(4) Uani 1 1 d . . .
C27 C 0.95706(12) 0.65375(8) 0.82445(7) 0.0158(4) Uani 1 1 d . . .
H27 H 0.9194 0.6299 0.8450 0.019 Uiso 1 1 calc R . .
C28 C 0.96283(15) 0.62893(9) 0.77067(8) 0.0267(5) Uani 1 1 d . . .
H28A H 0.9075 0.6285 0.7549 0.040 Uiso 1 1 calc R . .
H28B H 0.9841 0.5918 0.7732 0.040 Uiso 1 1 calc R . .
H28C H 1.0006 0.6507 0.7496 0.040 Uiso 1 1 calc R . .
C29 C 1.04238(13) 0.65257(9) 0.85043(9) 0.0258(5) Uani 1 1 d . . .
H29A H 1.0617 0.6150 0.8531 0.039 Uiso 1 1 calc R . .
H29B H 1.0380 0.6683 0.8848 0.039 Uiso 1 1 calc R . .
H29C H 1.0821 0.6737 0.8301 0.039 Uiso 1 1 calc R . .
C30 C 0.96561(12) 0.75633(8) 0.81860(7) 0.0146(4) Uani 1 1 d . . .
H30 H 1.0244 0.7526 0.8165 0.018 Uiso 1 1 calc R . .
C31 C 0.93120(12) 0.80808(8) 0.81754(7) 0.0154(4) Uani 1 1 d . . .
C32 C 0.98549(13) 0.85862(8) 0.81702(8) 0.0185(4) Uani 1 1 d . . .
H32 H 1.0449 0.8466 0.8175 0.022 Uiso 1 1 calc R . .
C33 C 0.97032(14) 0.89313(9) 0.86495(9) 0.0275(5) Uani 1 1 d . . .
H33A H 1.0081 0.9244 0.8647 0.041 Uiso 1 1 calc R . .
H33B H 0.9806 0.8712 0.8956 0.041 Uiso 1 1 calc R . .
H33C H 0.9126 0.9059 0.8651 0.041 Uiso 1 1 calc R . .
C34 C 0.97184(14) 0.89211(9) 0.76827(8) 0.0258(5) Uani 1 1 d . . .
H34A H 0.9835 0.8696 0.7381 0.039 Uiso 1 1 calc R . .
H34B H 1.0093 0.9235 0.7685 0.039 Uiso 1 1 calc R . .
H34C H 0.9140 0.9046 0.7670 0.039 Uiso 1 1 calc R . .
C35 C 0.84511(12) 0.81270(8) 0.81880(7) 0.0161(4) Uani 1 1 d . . .
H35 H 0.8207 0.8478 0.8172 0.019 Uiso 1 1 calc R . .
C36 C 0.79355(12) 0.76748(8) 0.82238(7) 0.0136(4) Uani 1 1 d . . .
C37 C 0.69992(12) 0.77610(8) 0.82569(8) 0.0176(4) Uani 1 1 d . . .
H37 H 0.6733 0.7398 0.8303 0.021 Uiso 1 1 calc R . .
C38 C 0.66527(13) 0.80102(10) 0.77627(9) 0.0279(5) Uani 1 1 d . . .
H38A H 0.6786 0.7774 0.7472 0.042 Uiso 1 1 calc R . .
H38B H 0.6903 0.8368 0.7708 0.042 Uiso 1 1 calc R . .
H38C H 0.6047 0.8048 0.7792 0.042 Uiso 1 1 calc R . .
C39 C 0.67757(14) 0.81082(8) 0.87233(8) 0.0250(5) Uani 1 1 d . . .
H39A H 0.7027 0.8469 0.8687 0.038 Uiso 1 1 calc R . .
H39B H 0.6988 0.7934 0.9035 0.038 Uiso 1 1 calc R . .
H39C H 0.6170 0.8144 0.8747 0.038 Uiso 1 1 calc R . .
C40 C 0.72014(12) 0.54336(7) 0.90800(7) 0.0123(4) Uani 1 1 d . . .
C41 C 0.65601(12) 0.53960(7) 0.94450(7) 0.0131(4) Uani 1 1 d . . .
C42 C 0.66120(12) 0.49871(8) 0.98155(7) 0.0151(4) Uani 1 1 d . . .
H42 H 0.6189 0.4964 1.0069 0.018 Uiso 1 1 calc R . .
C43 C 0.72580(12) 0.46140(8) 0.98270(7) 0.0159(4) Uani 1 1 d . . .
C44 C 0.72581(14) 0.41638(8) 1.02261(8) 0.0213(4) Uani 1 1 d . . .
H44 H 0.6783 0.4233 1.0465 0.026 Uiso 1 1 calc R . .
C45 C 0.80565(14) 0.41517(9) 1.05462(8) 0.0280(5) Uani 1 1 d . . .
H45A H 0.8528 0.4056 1.0326 0.042 Uiso 1 1 calc R . .
H45B H 0.8001 0.3881 1.0819 0.042 Uiso 1 1 calc R . .
H45C H 0.8151 0.4510 1.0698 0.042 Uiso 1 1 calc R . .
C46 C 0.71109(18) 0.36140(9) 0.99719(10) 0.0375(6) Uani 1 1 d . . .
H46A H 0.6593 0.3626 0.9774 0.056 Uiso 1 1 calc R . .
H46B H 0.7069 0.3333 1.0236 0.056 Uiso 1 1 calc R . .
H46C H 0.7577 0.3530 0.9743 0.056 Uiso 1 1 calc R . .
C47 C 0.78815(12) 0.46546(8) 0.94570(7) 0.0159(4) Uani 1 1 d . . .
H47 H 0.8327 0.4401 0.9460 0.019 Uiso 1 1 calc R . .
C48 C 0.78662(12) 0.50586(7) 0.90834(7) 0.0136(4) Uani 1 1 d . . .
C49 C 0.85345(12) 0.50752(8) 0.86652(7) 0.0166(4) Uani 1 1 d . . .
H49 H 0.8496 0.5438 0.8495 0.020 Uiso 1 1 calc R . .
C50 C 0.83533(17) 0.46463(11) 0.82582(9) 0.0391(6) Uani 1 1 d . . .
H50A H 0.7780 0.4687 0.8137 0.059 Uiso 1 1 calc R . .
H50B H 0.8426 0.4284 0.8406 0.059 Uiso 1 1 calc R . .
H50C H 0.8738 0.4692 0.7970 0.059 Uiso 1 1 calc R . .
C51 C 0.94215(14) 0.50140(11) 0.88637(9) 0.0327(6) Uani 1 1 d . . .
H51A H 0.9813 0.5041 0.8576 0.049 Uiso 1 1 calc R . .
H51B H 0.9483 0.4660 0.9030 0.049 Uiso 1 1 calc R . .
H51C H 0.9539 0.5302 0.9112 0.049 Uiso 1 1 calc R . .
C52 C 0.58038(12) 0.57669(8) 0.94211(7) 0.0150(4) Uani 1 1 d . . .
H52 H 0.5985 0.6118 0.9264 0.018 Uiso 1 1 calc R . .
C53 C 0.54243(12) 0.58948(8) 0.99458(7) 0.0171(4) Uani 1 1 d . . .
H53A H 0.4989 0.6170 0.9906 0.026 Uiso 1 1 calc R . .
H53B H 0.5859 0.6032 1.0175 0.026 Uiso 1 1 calc R . .
H53C H 0.5183 0.5564 1.0091 0.026 Uiso 1 1 calc R . .
C54 C 0.51299(12) 0.55218(8) 0.90722(8) 0.0198(4) Uani 1 1 d . . .
H54A H 0.4653 0.5769 0.9055 0.030 Uiso 1 1 calc R . .
H54B H 0.4949 0.5172 0.9212 0.030 Uiso 1 1 calc R . .
H54C H 0.5358 0.5468 0.8727 0.030 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 C1 2.1756(19) . ?
Sn1 C19 2.1935(18) . ?
Sn1 Cl1 2.3893(5) . ?
Sn1 Sn2 2.88216(18) . ?
Cl2 Sn2 2.4673(5) . ?
Sn2 P1 2.6985(5) . ?
P1 C2 1.8260(19) . ?
P1 C13 1.8417(19) . ?
P1 C7 1.8558(19) . ?
C1 C6 1.398(3) . ?
C1 C2 1.409(3) . ?
C2 C3 1.400(3) . ?
C3 C4 1.383(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.535(3) . ?
C7 C12 1.536(3) . ?
C7 H7 1.0000 . ?
C8 C9 1.531(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.523(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.523(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.526(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.532(3) . ?
C13 C18 1.535(3) . ?
C13 H13 1.0000 . ?
C14 C15 1.534(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.524(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.527(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.532(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C24 1.411(2) . ?
C19 C20 1.413(3) . ?
C20 C21 1.396(3) . ?
C20 C40 1.500(2) . ?
C21 C22 1.387(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.401(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.500(3) . ?
C25 C36 1.398(3) . ?
C25 C26 1.413(3) . ?
C26 C30 1.391(3) . ?
C26 C27 1.526(3) . ?
C27 C29 1.530(3) . ?
C27 C28 1.533(3) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.390(3) . ?
C30 H30 0.9500 . ?
C31 C35 1.388(3) . ?
C31 C32 1.521(3) . ?
C32 C33 1.532(3) . ?
C32 C34 1.532(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 1.392(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.522(3) . ?
C37 C39 1.530(3) . ?
C37 C38 1.533(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 1.406(3) . ?
C40 C48 1.413(3) . ?
C41 C42 1.399(3) . ?
C41 C52 1.522(3) . ?
C42 C43 1.387(3) . ?
C42 H42 0.9500 . ?
C43 C47 1.395(3) . ?
C43 C44 1.522(3) . ?
C44 C46 1.527(3) . ?
C44 C45 1.531(3) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.394(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.531(3) . ?
C49 C51 1.524(3) . ?
C49 C50 1.526(3) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.531(3) . ?
C52 C54 1.538(3) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 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 C19 108.67(7) . . ?
C1 Sn1 Cl1 95.24(5) . . ?
C19 Sn1 Cl1 105.48(5) . . ?
C1 Sn1 Sn2 100.02(5) . . ?
C19 Sn1 Sn2 128.85(5) . . ?
Cl1 Sn1 Sn2 113.138(13) . . ?
Cl2 Sn2 P1 89.283(16) . . ?
Cl2 Sn2 Sn1 95.264(12) . . ?
P1 Sn2 Sn1 77.394(11) . . ?
C2 P1 C13 106.97(9) . . ?
C2 P1 C7 106.82(9) . . ?
C13 P1 C7 105.71(8) . . ?
C2 P1 Sn2 113.89(6) . . ?
C13 P1 Sn2 109.37(6) . . ?
C7 P1 Sn2 113.57(6) . . ?
C6 C1 C2 117.87(17) . . ?
C6 C1 Sn1 120.58(13) . . ?
C2 C1 Sn1 121.36(13) . . ?
C3 C2 C1 120.09(17) . . ?
C3 C2 P1 118.86(14) . . ?
C1 C2 P1 120.95(14) . . ?
C4 C3 C2 120.61(18) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 119.96(18) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.62(18) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 121.82(18) . . ?
C5 C6 H6 119.1 . . ?
C1 C6 H6 119.1 . . ?
C8 C7 C12 110.60(16) . . ?
C8 C7 P1 115.95(13) . . ?
C12 C7 P1 108.83(12) . . ?
C8 C7 H7 107.0 . . ?
C12 C7 H7 107.0 . . ?
P1 C7 H7 107.0 . . ?
C9 C8 C7 110.29(16) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C10 C9 C8 112.03(17) . . ?
C10 C9 H9A 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 110.35(17) . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C10 C11 C12 111.21(17) . . ?
C10 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C7 111.47(16) . . ?
C11 C12 H12A 109.3 . . ?
C7 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C7 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C18 110.28(16) . . ?
C14 C13 P1 112.70(13) . . ?
C18 C13 P1 109.59(13) . . ?
C14 C13 H13 108.0 . . ?
C18 C13 H13 108.0 . . ?
P1 C13 H13 108.0 . . ?
C13 C14 C15 109.81(16) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C14 112.12(17) . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C17 110.82(17) . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 111.40(16) . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C18 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C17 C18 C13 110.70(16) . . ?
C17 C18 H18A 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
C24 C19 C20 118.49(16) . . ?
C24 C19 Sn1 126.94(13) . . ?
C20 C19 Sn1 114.54(13) . . ?
C21 C20 C19 120.37(17) . . ?
C21 C20 C40 118.37(16) . . ?
C19 C20 C40 120.87(16) . . ?
C22 C21 C20 120.68(18) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 C21 119.20(17) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C22 C23 C24 121.65(17) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C19 119.34(17) . . ?
C23 C24 C25 116.30(16) . . ?
C19 C24 C25 124.34(16) . . ?
C36 C25 C26 120.35(17) . . ?
C36 C25 C24 119.67(17) . . ?
C26 C25 C24 119.91(16) . . ?
C30 C26 C25 118.33(17) . . ?
C30 C26 C27 120.74(17) . . ?
C25 C26 C27 120.93(17) . . ?
C26 C27 C29 114.16(16) . . ?
C26 C27 C28 111.02(16) . . ?
C29 C27 C28 110.10(17) . . ?
C26 C27 H27 107.1 . . ?
C29 C27 H27 107.1 . . ?
C28 C27 H27 107.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C26 122.24(18) . . ?
C31 C30 H30 118.9 . . ?
C26 C30 H30 118.9 . . ?
C35 C31 C30 118.10(18) . . ?
C35 C31 C32 120.30(18) . . ?
C30 C31 C32 121.56(18) . . ?
C31 C32 C33 110.86(17) . . ?
C31 C32 C34 111.51(16) . . ?
C33 C32 C34 110.85(17) . . ?
C31 C32 H32 107.8 . . ?
C33 C32 H32 107.8 . . ?
C34 C32 H32 107.8 . . ?
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 . . ?
C31 C35 C36 121.93(18) . . ?
C31 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C25 119.00(18) . . ?
C35 C36 C37 118.71(17) . . ?
C25 C36 C37 122.24(17) . . ?
C36 C37 C39 110.80(17) . . ?
C36 C37 C38 111.55(17) . . ?
C39 C37 C38 111.07(17) . . ?
C36 C37 H37 107.7 . . ?
C39 C37 H37 107.7 . . ?
C38 C37 H37 107.7 . . ?
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 C48 120.46(17) . . ?
C41 C40 C20 121.67(17) . . ?
C48 C40 C20 117.81(16) . . ?
C42 C41 C40 118.14(17) . . ?
C42 C41 C52 120.58(17) . . ?
C40 C41 C52 121.18(17) . . ?
C43 C42 C41 122.49(18) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C42 C43 C47 118.36(18) . . ?
C42 C43 C44 119.89(18) . . ?
C47 C43 C44 121.72(18) . . ?
C43 C44 C46 110.48(17) . . ?
C43 C44 C45 112.80(17) . . ?
C46 C44 C45 110.45(19) . . ?
C43 C44 H44 107.6 . . ?
C46 C44 H44 107.6 . . ?
C45 C44 H44 107.6 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 C43 121.51(18) . . ?
C48 C47 H47 119.2 . . ?
C43 C47 H47 119.2 . . ?
C47 C48 C40 119.02(17) . . ?
C47 C48 C49 120.32(17) . . ?
C40 C48 C49 120.57(16) . . ?
C51 C49 C50 110.26(19) . . ?
C51 C49 C48 114.29(16) . . ?
C50 C49 C48 110.08(17) . . ?
C51 C49 H49 107.3 . . ?
C50 C49 H49 107.3 . . ?
C48 C49 H49 107.3 . . ?
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 . . ?
C41 C52 C53 113.88(16) . . ?
C41 C52 C54 110.52(16) . . ?
C53 C52 C54 109.23(16) . . ?
C41 C52 H52 107.7 . . ?
C53 C52 H52 107.7 . . ?
C54 C52 H52 107.7 . . ?
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 . . ?
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 . . ?

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 Sn2 Cl2 -106.60(5) . . . . ?
C19 Sn1 Sn2 Cl2 129.36(6) . . . . ?
Cl1 Sn1 Sn2 Cl2 -6.433(18) . . . . ?
C1 Sn1 Sn2 P1 -18.51(5) . . . . ?
C19 Sn1 Sn2 P1 -142.56(6) . . . . ?
Cl1 Sn1 Sn2 P1 81.648(17) . . . . ?
Cl2 Sn2 P1 C2 117.98(7) . . . . ?
Sn1 Sn2 P1 C2 22.42(7) . . . . ?
Cl2 Sn2 P1 C13 -122.41(7) . . . . ?
Sn1 Sn2 P1 C13 142.03(7) . . . . ?
Cl2 Sn2 P1 C7 -4.61(7) . . . . ?
Sn1 Sn2 P1 C7 -100.16(7) . . . . ?
C19 Sn1 C1 C6 -30.94(16) . . . . ?
Cl1 Sn1 C1 C6 77.35(15) . . . . ?
Sn2 Sn1 C1 C6 -168.01(14) . . . . ?
C19 Sn1 C1 C2 154.21(14) . . . . ?
Cl1 Sn1 C1 C2 -97.50(15) . . . . ?
Sn2 Sn1 C1 C2 17.14(15) . . . . ?
C6 C1 C2 C3 1.6(3) . . . . ?
Sn1 C1 C2 C3 176.55(14) . . . . ?
C6 C1 C2 P1 -174.79(14) . . . . ?
Sn1 C1 C2 P1 0.2(2) . . . . ?
C13 P1 C2 C3 42.51(17) . . . . ?
C7 P1 C2 C3 -70.32(17) . . . . ?
Sn2 P1 C2 C3 163.47(13) . . . . ?
C13 P1 C2 C1 -141.09(15) . . . . ?
C7 P1 C2 C1 106.08(16) . . . . ?
Sn2 P1 C2 C1 -20.13(17) . . . . ?
C1 C2 C3 C4 -1.5(3) . . . . ?
P1 C2 C3 C4 174.92(15) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C3 C4 C5 C6 1.6(3) . . . . ?
C4 C5 C6 C1 -1.5(3) . . . . ?
C2 C1 C6 C5 -0.1(3) . . . . ?
Sn1 C1 C6 C5 -175.11(14) . . . . ?
C2 P1 C7 C8 76.54(15) . . . . ?
C13 P1 C7 C8 -37.15(16) . . . . ?
Sn2 P1 C7 C8 -157.06(12) . . . . ?
C2 P1 C7 C12 -48.87(15) . . . . ?
C13 P1 C7 C12 -162.55(13) . . . . ?
Sn2 P1 C7 C12 77.53(13) . . . . ?
C12 C7 C8 C9 -55.4(2) . . . . ?
P1 C7 C8 C9 -179.87(14) . . . . ?
C7 C8 C9 C10 56.6(2) . . . . ?
C8 C9 C10 C11 -56.7(2) . . . . ?
C9 C10 C11 C12 55.9(2) . . . . ?
C10 C11 C12 C7 -56.2(2) . . . . ?
C8 C7 C12 C11 55.8(2) . . . . ?
P1 C7 C12 C11 -175.76(14) . . . . ?
C2 P1 C13 C14 55.40(16) . . . . ?
C7 P1 C13 C14 168.99(14) . . . . ?
Sn2 P1 C13 C14 -68.38(14) . . . . ?
C2 P1 C13 C18 178.61(13) . . . . ?
C7 P1 C13 C18 -67.80(15) . . . . ?
Sn2 P1 C13 C18 54.83(14) . . . . ?
C18 C13 C14 C15 57.7(2) . . . . ?
P1 C13 C14 C15 -179.52(14) . . . . ?
C13 C14 C15 C16 -56.8(2) . . . . ?
C14 C15 C16 C17 55.2(2) . . . . ?
C15 C16 C17 C18 -54.5(2) . . . . ?
C16 C17 C18 C13 56.3(2) . . . . ?
C14 C13 C18 C17 -57.9(2) . . . . ?
P1 C13 C18 C17 177.45(14) . . . . ?
C1 Sn1 C19 C24 105.08(16) . . . . ?
Cl1 Sn1 C19 C24 3.91(16) . . . . ?
Sn2 Sn1 C19 C24 -134.38(14) . . . . ?
C1 Sn1 C19 C20 -77.36(14) . . . . ?
Cl1 Sn1 C19 C20 -178.53(12) . . . . ?
Sn2 Sn1 C19 C20 43.18(15) . . . . ?
C24 C19 C20 C21 -5.5(3) . . . . ?
Sn1 C19 C20 C21 176.74(14) . . . . ?
C24 C19 C20 C40 167.22(17) . . . . ?
Sn1 C19 C20 C40 -10.6(2) . . . . ?
C19 C20 C21 C22 1.4(3) . . . . ?
C40 C20 C21 C22 -171.44(17) . . . . ?
C20 C21 C22 C23 2.7(3) . . . . ?
C21 C22 C23 C24 -2.8(3) . . . . ?
C22 C23 C24 C19 -1.3(3) . . . . ?
C22 C23 C24 C25 177.03(17) . . . . ?
C20 C19 C24 C23 5.4(3) . . . . ?
Sn1 C19 C24 C23 -177.15(13) . . . . ?
C20 C19 C24 C25 -172.81(17) . . . . ?
Sn1 C19 C24 C25 4.7(3) . . . . ?
C23 C24 C25 C36 73.2(2) . . . . ?
C19 C24 C25 C36 -108.5(2) . . . . ?
C23 C24 C25 C26 -103.7(2) . . . . ?
C19 C24 C25 C26 74.5(2) . . . . ?
C36 C25 C26 C30 0.6(3) . . . . ?
C24 C25 C26 C30 177.57(16) . . . . ?
C36 C25 C26 C27 -179.09(16) . . . . ?
C24 C25 C26 C27 -2.2(3) . . . . ?
C30 C26 C27 C29 32.2(2) . . . . ?
C25 C26 C27 C29 -148.10(18) . . . . ?
C30 C26 C27 C28 -93.0(2) . . . . ?
C25 C26 C27 C28 86.7(2) . . . . ?
C25 C26 C30 C31 1.1(3) . . . . ?
C27 C26 C30 C31 -179.12(17) . . . . ?
C26 C30 C31 C35 -2.3(3) . . . . ?
C26 C30 C31 C32 175.49(17) . . . . ?
C35 C31 C32 C33 60.0(2) . . . . ?
C30 C31 C32 C33 -117.7(2) . . . . ?
C35 C31 C32 C34 -64.0(2) . . . . ?
C30 C31 C32 C34 118.3(2) . . . . ?
C30 C31 C35 C36 1.7(3) . . . . ?
C32 C31 C35 C36 -176.12(17) . . . . ?
C31 C35 C36 C25 0.0(3) . . . . ?
C31 C35 C36 C37 177.59(18) . . . . ?
C26 C25 C36 C35 -1.2(3) . . . . ?
C24 C25 C36 C35 -178.15(17) . . . . ?
C26 C25 C36 C37 -178.69(17) . . . . ?
C24 C25 C36 C37 4.4(3) . . . . ?
C35 C36 C37 C39 -58.7(2) . . . . ?
C25 C36 C37 C39 118.7(2) . . . . ?
C35 C36 C37 C38 65.6(2) . . . . ?
C25 C36 C37 C38 -117.0(2) . . . . ?
C21 C20 C40 C41 -88.6(2) . . . . ?
C19 C20 C40 C41 98.6(2) . . . . ?
C21 C20 C40 C48 88.7(2) . . . . ?
C19 C20 C40 C48 -84.1(2) . . . . ?
C48 C40 C41 C42 1.5(3) . . . . ?
C20 C40 C41 C42 178.70(17) . . . . ?
C48 C40 C41 C52 -174.96(17) . . . . ?
C20 C40 C41 C52 2.3(3) . . . . ?
C40 C41 C42 C43 -1.5(3) . . . . ?
C52 C41 C42 C43 174.94(17) . . . . ?
C41 C42 C43 C47 0.7(3) . . . . ?
C41 C42 C43 C44 -177.33(18) . . . . ?
C42 C43 C44 C46 110.8(2) . . . . ?
C47 C43 C44 C46 -67.1(3) . . . . ?
C42 C43 C44 C45 -125.0(2) . . . . ?
C47 C43 C44 C45 57.0(3) . . . . ?
C42 C43 C47 C48 0.2(3) . . . . ?
C44 C43 C47 C48 178.18(18) . . . . ?
C43 C47 C48 C40 -0.2(3) . . . . ?
C43 C47 C48 C49 -176.79(18) . . . . ?
C41 C40 C48 C47 -0.7(3) . . . . ?
C20 C40 C48 C47 -177.98(17) . . . . ?
C41 C40 C48 C49 175.92(17) . . . . ?
C20 C40 C48 C49 -1.4(3) . . . . ?
C47 C48 C49 C51 -47.4(3) . . . . ?
C40 C48 C49 C51 136.0(2) . . . . ?
C47 C48 C49 C50 77.3(2) . . . . ?
C40 C48 C49 C50 -99.2(2) . . . . ?
C42 C41 C52 C53 34.1(2) . . . . ?
C40 C41 C52 C53 -149.50(17) . . . . ?
C42 C41 C52 C54 -89.2(2) . . . . ?
C40 C41 C52 C54 87.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.065
####################################################################### 
# 
# 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_kk96_0ma
_database_code_depnum_ccdc_archive 'CCDC 1457389'
_audit_update_record             
;
2016-03-03 deposited with the CCDC.
2016-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H80 Cl2 Ge P Sn'
_chemical_formula_weight         1190.47

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'
Ge Ge 0.1547 1.8001 '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           Orthorhombic
_symmetry_space_group_name_H-M   'Pna2(1) '

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

_cell_length_a                   29.0011(11)
_cell_length_b                   19.7482(7)
_cell_length_c                   10.5468(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6040.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9565
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.329
_exptl_crystal_size_mid          0.288
_exptl_crystal_size_min          0.124
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2476
_exptl_absorpt_coefficient_mu    1.065
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8836
_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            82847
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         28.33
_reflns_number_total             14658
_reflns_number_gt                13919
_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+3.5338P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.011(6)
_refine_ls_number_reflns         14658
_refine_ls_number_parameters     693
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0276
_refine_ls_wR_factor_ref         0.0633
_refine_ls_wR_factor_gt          0.0623
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.301870(4) 0.352602(6) 0.206628(17) 0.01542(3) Uani 1 1 d . . .
Cl1 Cl 0.32292(2) 0.42490(3) 0.37817(6) 0.02577(12) Uani 1 1 d . . .
Ge1 Ge 0.265332(8) 0.234220(12) 0.29270(3) 0.02110(5) Uani 1 1 d . . .
P1 P 0.33343(2) 0.18944(3) 0.17809(6) 0.01744(12) Uani 1 1 d . . .
C1 C 0.26566(7) 0.42874(11) 0.0951(2) 0.0147(4) Uani 1 1 d . . .
C2 C 0.28663(8) 0.48360(11) 0.0320(2) 0.0156(4) Uani 1 1 d . . .
Cl2 Cl 0.30339(2) 0.24158(4) 0.48217(7) 0.03314(15) Uani 1 1 d . . .
C3 C 0.25912(8) 0.53501(11) -0.0182(2) 0.0196(5) Uani 1 1 d . . .
H3 H 0.2733 0.5716 -0.0617 0.023 Uiso 1 1 calc R . .
C4 C 0.21167(8) 0.53382(12) -0.0062(3) 0.0220(5) Uani 1 1 d . . .
H4 H 0.1936 0.5703 -0.0377 0.026 Uiso 1 1 calc R . .
C5 C 0.19061(8) 0.47933(12) 0.0520(2) 0.0193(5) Uani 1 1 d . . .
H5 H 0.1580 0.4781 0.0595 0.023 Uiso 1 1 calc R . .
C6 C 0.21708(8) 0.42617(11) 0.0997(2) 0.0162(4) Uani 1 1 d . . .
C7 C 0.19197(7) 0.36398(11) 0.1444(2) 0.0150(5) Uani 1 1 d . . .
C8 C 0.17681(8) 0.35616(12) 0.2697(2) 0.0188(5) Uani 1 1 d . . .
C9 C 0.18444(8) 0.41201(13) 0.3665(3) 0.0229(5) Uani 1 1 d . . .
H9 H 0.2100 0.4413 0.3343 0.027 Uiso 1 1 calc R . .
C10 C 0.14125(9) 0.45641(14) 0.3765(3) 0.0338(6) Uani 1 1 d . . .
H10A H 0.1330 0.4733 0.2922 0.051 Uiso 1 1 calc R . .
H10B H 0.1475 0.4947 0.4330 0.051 Uiso 1 1 calc R . .
H10C H 0.1157 0.4296 0.4107 0.051 Uiso 1 1 calc R . .
C11 C 0.19862(10) 0.38641(16) 0.4968(3) 0.0339(6) Uani 1 1 d . . .
H11A H 0.2259 0.3575 0.4886 0.051 Uiso 1 1 calc R . .
H11B H 0.1733 0.3603 0.5339 0.051 Uiso 1 1 calc R . .
H11C H 0.2058 0.4250 0.5517 0.051 Uiso 1 1 calc R . .
C12 C 0.15300(7) 0.29695(12) 0.3023(3) 0.0209(5) Uani 1 1 d . . .
H12 H 0.1422 0.2916 0.3868 0.025 Uiso 1 1 calc R . .
C13 C 0.14474(7) 0.24607(11) 0.2153(3) 0.0205(4) Uani 1 1 d . . .
C14 C 0.11942(9) 0.18158(13) 0.2522(3) 0.0277(6) Uani 1 1 d . . .
H14 H 0.1130 0.1837 0.3453 0.033 Uiso 1 1 calc R . .
C15 C 0.14911(10) 0.11859(13) 0.2274(3) 0.0369(7) Uani 1 1 d . . .
H15A H 0.1519 0.1113 0.1358 0.055 Uiso 1 1 calc R . .
H15B H 0.1345 0.0790 0.2664 0.055 Uiso 1 1 calc R . .
H15C H 0.1798 0.1253 0.2641 0.055 Uiso 1 1 calc R . .
C16 C 0.07323(10) 0.17621(15) 0.1834(4) 0.0404(8) Uani 1 1 d . . .
H16A H 0.0785 0.1765 0.0916 0.061 Uiso 1 1 calc R . .
H16B H 0.0537 0.2147 0.2067 0.061 Uiso 1 1 calc R . .
H16C H 0.0579 0.1339 0.2076 0.061 Uiso 1 1 calc R . .
C17 C 0.15986(8) 0.25487(12) 0.0920(2) 0.0213(5) Uani 1 1 d . . .
H17 H 0.1543 0.2201 0.0318 0.026 Uiso 1 1 calc R . .
C18 C 0.18302(8) 0.31328(11) 0.0534(2) 0.0178(4) Uani 1 1 d . . .
C19 C 0.19654(8) 0.32127(12) -0.0854(2) 0.0196(5) Uani 1 1 d . . .
H19 H 0.2095 0.3678 -0.0969 0.024 Uiso 1 1 calc R . .
C20 C 0.23375(9) 0.27016(13) -0.1231(3) 0.0282(5) Uani 1 1 d . . .
H20A H 0.2422 0.2770 -0.2122 0.042 Uiso 1 1 calc R . .
H20B H 0.2219 0.2241 -0.1118 0.042 Uiso 1 1 calc R . .
H20C H 0.2610 0.2766 -0.0695 0.042 Uiso 1 1 calc R . .
C21 C 0.15419(9) 0.31472(13) -0.1706(3) 0.0270(5) Uani 1 1 d . . .
H21A H 0.1633 0.3216 -0.2592 0.041 Uiso 1 1 calc R . .
H21B H 0.1313 0.3489 -0.1466 0.041 Uiso 1 1 calc R . .
H21C H 0.1408 0.2694 -0.1608 0.041 Uiso 1 1 calc R . .
C22 C 0.33762(8) 0.48950(11) 0.0059(2) 0.0169(4) Uani 1 1 d . . .
C23 C 0.36414(8) 0.53886(11) 0.0685(2) 0.0193(5) Uani 1 1 d . . .
C24 C 0.34364(9) 0.58402(13) 0.1715(2) 0.0260(6) Uani 1 1 d . . .
H24 H 0.3134 0.5639 0.1974 0.031 Uiso 1 1 calc R . .
C25 C 0.33412(11) 0.65497(14) 0.1192(3) 0.0358(7) Uani 1 1 d . . .
H25A H 0.3634 0.6770 0.0980 0.054 Uiso 1 1 calc R . .
H25B H 0.3179 0.6818 0.1833 0.054 Uiso 1 1 calc R . .
H25C H 0.3150 0.6515 0.0429 0.054 Uiso 1 1 calc R . .
C26 C 0.37397(11) 0.58846(16) 0.2899(3) 0.0395(7) Uani 1 1 d . . .
H26A H 0.4034 0.6098 0.2680 0.059 Uiso 1 1 calc R . .
H26B H 0.3796 0.5428 0.3228 0.059 Uiso 1 1 calc R . .
H26C H 0.3583 0.6156 0.3547 0.059 Uiso 1 1 calc R . .
C27 C 0.40979(8) 0.54922(12) 0.0314(3) 0.0245(5) Uani 1 1 d . . .
H27 H 0.4278 0.5820 0.0749 0.029 Uiso 1 1 calc R . .
C28 C 0.42959(8) 0.51284(12) -0.0673(3) 0.0267(6) Uani 1 1 d . B .
C29 C 0.47882(10) 0.52800(15) -0.1114(4) 0.0433(8) Uani 1 1 d . . .
H29A H 0.4810 0.5784 -0.1186 0.052 Uiso 1 1 calc R A 1
H29B H 0.4737 0.5374 -0.2035 0.052 Uiso 1 1 calc R A 2
C32 C 0.40305(9) 0.46340(12) -0.1264(3) 0.0260(5) Uani 1 1 d . . .
H32 H 0.4165 0.4371 -0.1922 0.031 Uiso 1 1 calc R B .
C33 C 0.35736(8) 0.45109(11) -0.0925(2) 0.0215(5) Uani 1 1 d . B .
C34 C 0.32944(9) 0.39896(13) -0.1658(3) 0.0274(6) Uani 1 1 d . . .
H34 H 0.3053 0.3809 -0.1071 0.033 Uiso 1 1 calc R B .
C35 C 0.35802(11) 0.33868(14) -0.2123(3) 0.0393(7) Uani 1 1 d . B .
H35A H 0.3374 0.3041 -0.2476 0.059 Uiso 1 1 calc R . .
H35B H 0.3754 0.3194 -0.1412 0.059 Uiso 1 1 calc R . .
H35C H 0.3796 0.3539 -0.2780 0.059 Uiso 1 1 calc R . .
C36 C 0.30459(12) 0.43226(18) -0.2769(4) 0.0488(8) Uani 1 1 d . B .
H36A H 0.3273 0.4528 -0.3340 0.073 Uiso 1 1 calc R . .
H36B H 0.2837 0.4674 -0.2450 0.073 Uiso 1 1 calc R . .
H36C H 0.2868 0.3980 -0.3231 0.073 Uiso 1 1 calc R . .
C37 C 0.31151(8) 0.15308(11) 0.0331(3) 0.0218(5) Uani 1 1 d . . .
C38 C 0.27280(9) 0.11059(13) 0.0407(3) 0.0271(5) Uani 1 1 d . . .
H38 H 0.2583 0.1032 0.1202 0.033 Uiso 1 1 calc R . .
C39 C 0.25566(10) 0.07943(14) -0.0667(3) 0.0347(7) Uani 1 1 d . . .
H39 H 0.2298 0.0500 -0.0604 0.042 Uiso 1 1 calc R . .
C40 C 0.27590(9) 0.09092(14) -0.1830(3) 0.0348(7) Uani 1 1 d . . .
H40 H 0.2638 0.0697 -0.2567 0.042 Uiso 1 1 calc R . .
C41 C 0.31389(10) 0.13338(15) -0.1925(3) 0.0330(6) Uani 1 1 d . . .
H41 H 0.3275 0.1418 -0.2729 0.040 Uiso 1 1 calc R . .
C42 C 0.33199(9) 0.16354(12) -0.0848(3) 0.0247(5) Uani 1 1 d . . .
H42 H 0.3585 0.1915 -0.0913 0.030 Uiso 1 1 calc R . .
C43 C 0.37839(8) 0.25014(11) 0.1380(2) 0.0177(4) Uani 1 1 d . . .
C44 C 0.42213(8) 0.22614(11) 0.1047(3) 0.0229(5) Uani 1 1 d . . .
H44 H 0.4273 0.1788 0.0962 0.027 Uiso 1 1 calc R . .
C45 C 0.45786(8) 0.27107(13) 0.0840(3) 0.0288(6) Uani 1 1 d . . .
H45 H 0.4874 0.2548 0.0597 0.035 Uiso 1 1 calc R . .
C46 C 0.45047(9) 0.34005(12) 0.0989(3) 0.0273(6) Uani 1 1 d . . .
H46 H 0.4753 0.3708 0.0882 0.033 Uiso 1 1 calc R . .
C47 C 0.40720(8) 0.36420(11) 0.1292(3) 0.0214(5) Uani 1 1 d . . .
H47 H 0.4026 0.4116 0.1377 0.026 Uiso 1 1 calc R . .
C48 C 0.37010(8) 0.32023(11) 0.1476(2) 0.0177(4) Uani 1 1 d . . .
C49 C 0.36413(8) 0.12156(11) 0.2577(2) 0.0218(5) Uani 1 1 d . . .
C50 C 0.36249(9) 0.05503(11) 0.2161(3) 0.0292(5) Uani 1 1 d . . .
H50 H 0.3447 0.0435 0.1437 0.035 Uiso 1 1 calc R . .
C51 C 0.38694(10) 0.00527(13) 0.2805(3) 0.0386(7) Uani 1 1 d . . .
H51 H 0.3856 -0.0403 0.2518 0.046 Uiso 1 1 calc R . .
C52 C 0.41307(10) 0.02095(16) 0.3848(3) 0.0409(8) Uani 1 1 d . . .
H52 H 0.4299 -0.0134 0.4277 0.049 Uiso 1 1 calc R . .
C53 C 0.41468(10) 0.08745(16) 0.4273(3) 0.0394(7) Uani 1 1 d . . .
H53 H 0.4326 0.0988 0.4997 0.047 Uiso 1 1 calc R . .
C54 C 0.39015(9) 0.13730(14) 0.3641(3) 0.0308(6) Uani 1 1 d . . .
H54 H 0.3912 0.1827 0.3938 0.037 Uiso 1 1 calc R . .
C56 C 0.42911(18) 0.3123(3) 0.4738(6) 0.102(2) Uani 1 1 d . . .
H56A H 0.4283 0.3130 0.3809 0.153 Uiso 1 1 calc R . .
H56B H 0.4286 0.3588 0.5060 0.153 Uiso 1 1 calc R . .
H56C H 0.4022 0.2877 0.5059 0.153 Uiso 1 1 calc R . .
C57 C 0.47345(14) 0.2767(3) 0.5185(5) 0.0721(14) Uani 1 1 d . . .
C58 C 0.49245(17) 0.2948(2) 0.6359(5) 0.0744(13) Uani 1 1 d . . .
H58 H 0.4775 0.3264 0.6899 0.089 Uiso 1 1 calc R . .
C59 C 0.53443(17) 0.2644(2) 0.6713(5) 0.0734(14) Uani 1 1 d . . .
H59 H 0.5482 0.2758 0.7502 0.088 Uiso 1 1 calc R . .
C60 C 0.55520(15) 0.2195(3) 0.5943(5) 0.0703(13) Uani 1 1 d . . .
H60 H 0.5836 0.1997 0.6194 0.084 Uiso 1 1 calc R . .
C61 C 0.53609(14) 0.2017(3) 0.4799(5) 0.0742(13) Uani 1 1 d . . .
H61 H 0.5506 0.1691 0.4273 0.089 Uiso 1 1 calc R . .
C62 C 0.49557(13) 0.2319(2) 0.4428(4) 0.0637(11) Uani 1 1 d . . .
H62 H 0.4828 0.2211 0.3623 0.076 Uiso 1 1 calc R . .
C63 C 0.46244(13) 0.1166(2) -0.1992(4) 0.0622(10) Uani 1 1 d . . .
H63A H 0.4408 0.0797 -0.2166 0.093 Uiso 1 1 calc R . .
H63B H 0.4846 0.1202 -0.2690 0.093 Uiso 1 1 calc R . .
H63C H 0.4454 0.1592 -0.1910 0.093 Uiso 1 1 calc R . .
C64 C 0.48788(10) 0.10225(15) -0.0774(3) 0.0376(7) Uani 1 1 d . . .
C65 C 0.52746(11) 0.13811(15) -0.0459(4) 0.0419(8) Uani 1 1 d . . .
H65 H 0.5392 0.1708 -0.1036 0.050 Uiso 1 1 calc R . .
C66 C 0.55009(11) 0.12725(17) 0.0673(4) 0.0503(10) Uani 1 1 d . . .
H66 H 0.5770 0.1525 0.0877 0.060 Uiso 1 1 calc R . .
C67 C 0.53340(12) 0.0795(2) 0.1506(4) 0.0544(10) Uani 1 1 d . . .
H67 H 0.5485 0.0716 0.2292 0.065 Uiso 1 1 calc R . .
C68 C 0.47230(11) 0.05432(17) 0.0063(4) 0.0466(8) Uani 1 1 d . . .
H68 H 0.4457 0.0284 -0.0140 0.056 Uiso 1 1 calc R . .
C69 C 0.49457(12) 0.0435(2) 0.1182(4) 0.0563(10) Uani 1 1 d . . .
H69 H 0.4830 0.0103 0.1752 0.068 Uiso 1 1 calc R . .
C75 C 0.4936(2) 0.5025(3) -0.2255(7) 0.0442(17) Uani 0.554(5) 1 d P B 1
H75A H 0.4948 0.4530 -0.2209 0.066 Uiso 0.554(5) 1 calc PR B 1
H75B H 0.5244 0.5202 -0.2444 0.066 Uiso 0.554(5) 1 calc PR B 1
H75C H 0.4722 0.5162 -0.2926 0.066 Uiso 0.554(5) 1 calc PR B 1
C76 C 0.51368(18) 0.5064(3) 0.0024(7) 0.0467(17) Uani 0.554(5) 1 d P B 1
H76A H 0.5090 0.4586 0.0233 0.070 Uiso 0.554(5) 1 calc PR B 1
H76B H 0.5074 0.5343 0.0774 0.070 Uiso 0.554(5) 1 calc PR B 1
H76C H 0.5456 0.5134 -0.0250 0.070 Uiso 0.554(5) 1 calc PR B 1
C77 C 0.5091(2) 0.4642(4) -0.1180(7) 0.0341(16) Uani 0.446(5) 1 d P B 2
H77A H 0.4906 0.4260 -0.1489 0.051 Uiso 0.446(5) 1 calc PR B 2
H77B H 0.5210 0.4537 -0.0333 0.051 Uiso 0.446(5) 1 calc PR B 2
H77C H 0.5349 0.4721 -0.1760 0.051 Uiso 0.446(5) 1 calc PR B 2
C78 C 0.5009(2) 0.5862(4) -0.0739(8) 0.0401(18) Uani 0.446(5) 1 d P B 2
H78A H 0.5287 0.5927 -0.1253 0.060 Uiso 0.446(5) 1 calc PR B 2
H78B H 0.5095 0.5825 0.0157 0.060 Uiso 0.446(5) 1 calc PR B 2
H78C H 0.4803 0.6250 -0.0854 0.060 Uiso 0.446(5) 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
Sn1 C48 2.171(2) . ?
Sn1 C1 2.179(2) . ?
Sn1 Cl1 2.3842(6) . ?
Sn1 Ge1 2.7226(3) . ?
Ge1 Cl2 2.2874(7) . ?
Ge1 P1 2.4786(6) . ?
P1 C37 1.805(3) . ?
P1 C49 1.815(2) . ?
P1 C43 1.821(2) . ?
C1 C2 1.409(3) . ?
C1 C6 1.411(3) . ?
C2 C3 1.396(3) . ?
C2 C22 1.509(3) . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.503(3) . ?
C7 C8 1.402(3) . ?
C7 C18 1.411(3) . ?
C8 C12 1.401(3) . ?
C8 C9 1.519(3) . ?
C9 C11 1.520(4) . ?
C9 C10 1.532(3) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.382(4) . ?
C12 H12 0.9500 . ?
C13 C17 1.383(4) . ?
C13 C14 1.521(3) . ?
C14 C16 1.527(4) . ?
C14 C15 1.535(4) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.396(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.524(3) . ?
C19 C21 1.527(3) . ?
C19 C20 1.530(3) . ?
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 C23 1.406(3) . ?
C22 C33 1.407(3) . ?
C23 C27 1.396(3) . ?
C23 C24 1.526(3) . ?
C24 C26 1.530(4) . ?
C24 C25 1.531(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 1.389(4) . ?
C27 H27 0.9500 . ?
C28 C32 1.391(4) . ?
C28 C29 1.531(4) . ?
C29 C75 1.373(7) . ?
C29 C78 1.375(8) . ?
C29 C77 1.537(7) . ?
C29 C76 1.626(7) . ?
C29 H29A 1.0000 . ?
C29 H29B 1.0000 . ?
C32 C33 1.394(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.521(3) . ?
C34 C36 1.525(4) . ?
C34 C35 1.531(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C42 1.393(4) . ?
C37 C38 1.404(3) . ?
C38 C39 1.381(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.378(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.388(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.386(4) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.399(3) . ?
C43 C48 1.409(3) . ?
C44 C45 1.382(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.388(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.380(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.396(3) . ?
C47 H47 0.9500 . ?
C49 C50 1.386(3) . ?
C49 C54 1.388(4) . ?
C50 C51 1.389(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.372(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.388(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C56 C57 1.540(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C62 1.354(6) . ?
C57 C58 1.401(6) . ?
C58 C59 1.407(7) . ?
C58 H58 0.9500 . ?
C59 C60 1.346(7) . ?
C59 H59 0.9500 . ?
C60 C61 1.373(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.375(6) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.508(5) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C68 1.370(5) . ?
C64 C65 1.389(4) . ?
C65 C66 1.380(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.376(6) . ?
C66 H66 0.9500 . ?
C67 C69 1.376(5) . ?
C67 H67 0.9500 . ?
C68 C69 1.363(6) . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 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
C48 Sn1 C1 119.20(8) . . ?
C48 Sn1 Cl1 99.23(6) . . ?
C1 Sn1 Cl1 96.89(6) . . ?
C48 Sn1 Ge1 101.39(6) . . ?
C1 Sn1 Ge1 125.80(6) . . ?
Cl1 Sn1 Ge1 111.149(18) . . ?
Cl2 Ge1 P1 93.69(2) . . ?
Cl2 Ge1 Sn1 92.81(2) . . ?
P1 Ge1 Sn1 80.424(15) . . ?
C37 P1 C49 105.72(11) . . ?
C37 P1 C43 108.50(12) . . ?
C49 P1 C43 104.02(11) . . ?
C37 P1 Ge1 105.93(8) . . ?
C49 P1 Ge1 115.38(8) . . ?
C43 P1 Ge1 116.67(8) . . ?
C2 C1 C6 118.4(2) . . ?
C2 C1 Sn1 125.27(15) . . ?
C6 C1 Sn1 115.97(16) . . ?
C3 C2 C1 119.4(2) . . ?
C3 C2 C22 115.8(2) . . ?
C1 C2 C22 124.65(19) . . ?
C4 C3 C2 121.5(2) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C5 C4 C3 119.6(2) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.7(2) . . ?
C5 C6 C7 117.5(2) . . ?
C1 C6 C7 121.60(19) . . ?
C8 C7 C18 120.4(2) . . ?
C8 C7 C6 122.5(2) . . ?
C18 C7 C6 117.1(2) . . ?
C12 C8 C7 118.6(2) . . ?
C12 C8 C9 120.9(2) . . ?
C7 C8 C9 120.5(2) . . ?
C8 C9 C11 113.9(2) . . ?
C8 C9 C10 110.0(2) . . ?
C11 C9 C10 110.5(2) . . ?
C8 C9 H9 107.4 . . ?
C11 C9 H9 107.4 . . ?
C10 C9 H9 107.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C8 122.0(2) . . ?
C13 C12 H12 119.0 . . ?
C8 C12 H12 119.0 . . ?
C12 C13 C17 118.6(2) . . ?
C12 C13 C14 121.5(2) . . ?
C17 C13 C14 120.0(2) . . ?
C13 C14 C16 111.1(2) . . ?
C13 C14 C15 111.3(2) . . ?
C16 C14 C15 110.8(2) . . ?
C13 C14 H14 107.8 . . ?
C16 C14 H14 107.8 . . ?
C15 C14 H14 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 C18 122.1(2) . . ?
C13 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C17 C18 C7 118.5(2) . . ?
C17 C18 C19 119.4(2) . . ?
C7 C18 C19 122.2(2) . . ?
C18 C19 C21 110.5(2) . . ?
C18 C19 C20 111.3(2) . . ?
C21 C19 C20 111.0(2) . . ?
C18 C19 H19 108.0 . . ?
C21 C19 H19 108.0 . . ?
C20 C19 H19 108.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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 . . ?
C23 C22 C33 119.8(2) . . ?
C23 C22 C2 120.2(2) . . ?
C33 C22 C2 119.5(2) . . ?
C27 C23 C22 119.3(2) . . ?
C27 C23 C24 118.9(2) . . ?
C22 C23 C24 121.8(2) . . ?
C23 C24 C26 113.0(2) . . ?
C23 C24 C25 110.4(2) . . ?
C26 C24 C25 110.2(2) . . ?
C23 C24 H24 107.7 . . ?
C26 C24 H24 107.7 . . ?
C25 C24 H24 107.7 . . ?
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 . . ?
C28 C27 C23 121.7(2) . . ?
C28 C27 H27 119.1 . . ?
C23 C27 H27 119.1 . . ?
C27 C28 C32 118.1(2) . . ?
C27 C28 C29 120.8(3) . . ?
C32 C28 C29 121.1(3) . . ?
C75 C29 C78 114.4(4) . . ?
C75 C29 C28 119.1(4) . . ?
C78 C29 C28 120.7(4) . . ?
C75 C29 C77 58.8(4) . . ?
C78 C29 C77 115.7(4) . . ?
C28 C29 C77 112.7(3) . . ?
C75 C29 C76 110.9(4) . . ?
C78 C29 C76 73.6(4) . . ?
C28 C29 C76 107.7(3) . . ?
C77 C29 C76 57.6(4) . . ?
C75 C29 H29A 106.1 . . ?
C28 C29 H29A 106.1 . . ?
C77 C29 H29A 140.9 . . ?
C76 C29 H29A 106.1 . . ?
C78 C29 H29B 101.1 . . ?
C28 C29 H29B 101.1 . . ?
C77 C29 H29B 101.1 . . ?
C76 C29 H29B 149.1 . . ?
H29A C29 H29B 75.5 . . ?
C28 C32 C33 122.2(2) . . ?
C28 C32 H32 118.9 . . ?
C33 C32 H32 118.9 . . ?
C32 C33 C22 118.8(2) . . ?
C32 C33 C34 119.6(2) . . ?
C22 C33 C34 121.5(2) . . ?
C33 C34 C36 110.5(2) . . ?
C33 C34 C35 113.6(2) . . ?
C36 C34 C35 110.2(2) . . ?
C33 C34 H34 107.4 . . ?
C36 C34 H34 107.4 . . ?
C35 C34 H34 107.4 . . ?
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 . . ?
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 . . ?
C42 C37 C38 118.7(2) . . ?
C42 C37 P1 123.15(18) . . ?
C38 C37 P1 118.1(2) . . ?
C39 C38 C37 120.5(3) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.1(3) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C42 C41 C40 120.1(3) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C37 120.4(2) . . ?
C41 C42 H42 119.8 . . ?
C37 C42 H42 119.8 . . ?
C44 C43 C48 120.4(2) . . ?
C44 C43 P1 118.99(17) . . ?
C48 C43 P1 120.53(17) . . ?
C45 C44 C43 120.2(2) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 119.8(2) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C47 C46 C45 120.4(2) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C46 C47 C48 121.2(2) . . ?
C46 C47 H47 119.4 . . ?
C48 C47 H47 119.4 . . ?
C47 C48 C43 118.0(2) . . ?
C47 C48 Sn1 124.00(16) . . ?
C43 C48 Sn1 117.75(16) . . ?
C50 C49 C54 119.1(2) . . ?
C50 C49 P1 122.5(2) . . ?
C54 C49 P1 118.38(19) . . ?
C49 C50 C51 119.9(3) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 121.0(3) . . ?
C52 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
C51 C52 C53 119.4(3) . . ?
C51 C52 H52 120.3 . . ?
C53 C52 H52 120.3 . . ?
C54 C53 C52 120.0(3) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C49 120.6(3) . . ?
C53 C54 H54 119.7 . . ?
C49 C54 H54 119.7 . . ?
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 . . ?
C62 C57 C58 120.1(4) . . ?
C62 C57 C56 120.9(4) . . ?
C58 C57 C56 118.9(5) . . ?
C57 C58 C59 117.8(5) . . ?
C57 C58 H58 121.1 . . ?
C59 C58 H58 121.1 . . ?
C60 C59 C58 120.5(4) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C59 C60 C61 121.2(4) . . ?
C59 C60 H60 119.4 . . ?
C61 C60 H60 119.4 . . ?
C60 C61 C62 119.0(5) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
C57 C62 C61 121.3(4) . . ?
C57 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C68 C64 C65 118.1(3) . . ?
C68 C64 C63 121.1(3) . . ?
C65 C64 C63 120.8(3) . . ?
C66 C65 C64 121.4(3) . . ?
C66 C65 H65 119.3 . . ?
C64 C65 H65 119.3 . . ?
C67 C66 C65 119.5(3) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C69 C67 C66 119.0(4) . . ?
C69 C67 H67 120.5 . . ?
C66 C67 H67 120.5 . . ?
C69 C68 C64 120.7(3) . . ?
C69 C68 H68 119.7 . . ?
C64 C68 H68 119.7 . . ?
C68 C69 C67 121.4(4) . . ?
C68 C69 H69 119.3 . . ?
C67 C69 H69 119.3 . . ?
C29 C75 H75A 109.5 . . ?
C29 C75 H75B 109.5 . . ?
C29 C75 H75C 109.5 . . ?
C29 C76 H76A 109.5 . . ?
C29 C76 H76B 109.5 . . ?
C29 C76 H76C 109.5 . . ?
C29 C77 H77A 109.5 . . ?
C29 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C29 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C29 C78 H78A 109.5 . . ?
C29 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C29 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 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
C48 Sn1 Ge1 Cl2 79.38(7) . . . . ?
C1 Sn1 Ge1 Cl2 -141.25(7) . . . . ?
Cl1 Sn1 Ge1 Cl2 -25.30(3) . . . . ?
C48 Sn1 Ge1 P1 -13.89(6) . . . . ?
C1 Sn1 Ge1 P1 125.48(7) . . . . ?
Cl1 Sn1 Ge1 P1 -118.57(2) . . . . ?
Cl2 Ge1 P1 C37 163.00(9) . . . . ?
Sn1 Ge1 P1 C37 -104.77(8) . . . . ?
Cl2 Ge1 P1 C49 46.43(9) . . . . ?
Sn1 Ge1 P1 C49 138.66(9) . . . . ?
Cl2 Ge1 P1 C43 -76.15(9) . . . . ?
Sn1 Ge1 P1 C43 16.08(9) . . . . ?
C48 Sn1 C1 C2 -35.0(2) . . . . ?
Cl1 Sn1 C1 C2 69.66(18) . . . . ?
Ge1 Sn1 C1 C2 -167.98(15) . . . . ?
C48 Sn1 C1 C6 152.51(15) . . . . ?
Cl1 Sn1 C1 C6 -102.85(16) . . . . ?
Ge1 Sn1 C1 C6 19.50(19) . . . . ?
C6 C1 C2 C3 3.1(3) . . . . ?
Sn1 C1 C2 C3 -169.28(17) . . . . ?
C6 C1 C2 C22 -172.6(2) . . . . ?
Sn1 C1 C2 C22 15.0(3) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
C22 C2 C3 C4 176.9(2) . . . . ?
C2 C3 C4 C5 -2.8(4) . . . . ?
C3 C4 C5 C6 0.8(4) . . . . ?
C4 C5 C6 C1 3.2(4) . . . . ?
C4 C5 C6 C7 -171.2(2) . . . . ?
C2 C1 C6 C5 -5.1(3) . . . . ?
Sn1 C1 C6 C5 167.97(18) . . . . ?
C2 C1 C6 C7 169.1(2) . . . . ?
Sn1 C1 C6 C7 -17.9(3) . . . . ?
C5 C6 C7 C8 -90.2(3) . . . . ?
C1 C6 C7 C8 95.4(3) . . . . ?
C5 C6 C7 C18 88.4(3) . . . . ?
C1 C6 C7 C18 -86.0(3) . . . . ?
C18 C7 C8 C12 0.4(3) . . . . ?
C6 C7 C8 C12 179.0(2) . . . . ?
C18 C7 C8 C9 -177.2(2) . . . . ?
C6 C7 C8 C9 1.3(3) . . . . ?
C12 C8 C9 C11 43.0(3) . . . . ?
C7 C8 C9 C11 -139.4(2) . . . . ?
C12 C8 C9 C10 -81.6(3) . . . . ?
C7 C8 C9 C10 95.9(3) . . . . ?
C7 C8 C12 C13 0.9(3) . . . . ?
C9 C8 C12 C13 178.6(2) . . . . ?
C8 C12 C13 C17 -1.1(3) . . . . ?
C8 C12 C13 C14 179.2(2) . . . . ?
C12 C13 C14 C16 114.5(3) . . . . ?
C17 C13 C14 C16 -65.2(3) . . . . ?
C12 C13 C14 C15 -121.5(3) . . . . ?
C17 C13 C14 C15 58.8(3) . . . . ?
C12 C13 C17 C18 -0.1(3) . . . . ?
C14 C13 C17 C18 179.7(2) . . . . ?
C13 C17 C18 C7 1.4(3) . . . . ?
C13 C17 C18 C19 -176.9(2) . . . . ?
C8 C7 C18 C17 -1.5(3) . . . . ?
C6 C7 C18 C17 179.8(2) . . . . ?
C8 C7 C18 C19 176.6(2) . . . . ?
C6 C7 C18 C19 -2.0(3) . . . . ?
C17 C18 C19 C21 56.0(3) . . . . ?
C7 C18 C19 C21 -122.2(2) . . . . ?
C17 C18 C19 C20 -67.7(3) . . . . ?
C7 C18 C19 C20 114.1(2) . . . . ?
C3 C2 C22 C23 72.7(3) . . . . ?
C1 C2 C22 C23 -111.5(3) . . . . ?
C3 C2 C22 C33 -99.6(3) . . . . ?
C1 C2 C22 C33 76.2(3) . . . . ?
C33 C22 C23 C27 0.3(3) . . . . ?
C2 C22 C23 C27 -171.9(2) . . . . ?
C33 C22 C23 C24 177.1(2) . . . . ?
C2 C22 C23 C24 4.9(3) . . . . ?
C27 C23 C24 C26 -50.4(3) . . . . ?
C22 C23 C24 C26 132.8(2) . . . . ?
C27 C23 C24 C25 73.5(3) . . . . ?
C22 C23 C24 C25 -103.3(3) . . . . ?
C22 C23 C27 C28 1.1(4) . . . . ?
C24 C23 C27 C28 -175.8(2) . . . . ?
C23 C27 C28 C32 -2.3(4) . . . . ?
C23 C27 C28 C29 176.4(2) . . . . ?
C27 C28 C29 C75 -165.5(4) . . . . ?
C32 C28 C29 C75 13.1(5) . . . . ?
C27 C28 C29 C78 -13.8(6) . . . . ?
C32 C28 C29 C78 164.8(5) . . . . ?
C27 C28 C29 C77 128.8(4) . . . . ?
C32 C28 C29 C77 -52.6(5) . . . . ?
C27 C28 C29 C76 67.2(4) . . . . ?
C32 C28 C29 C76 -114.1(4) . . . . ?
C27 C28 C32 C33 2.1(4) . . . . ?
C29 C28 C32 C33 -176.6(2) . . . . ?
C28 C32 C33 C22 -0.7(4) . . . . ?
C28 C32 C33 C34 176.6(2) . . . . ?
C23 C22 C33 C32 -0.5(3) . . . . ?
C2 C22 C33 C32 171.8(2) . . . . ?
C23 C22 C33 C34 -177.8(2) . . . . ?
C2 C22 C33 C34 -5.5(3) . . . . ?
C32 C33 C34 C36 -90.3(3) . . . . ?
C22 C33 C34 C36 87.0(3) . . . . ?
C32 C33 C34 C35 34.2(3) . . . . ?
C22 C33 C34 C35 -148.5(2) . . . . ?
C49 P1 C37 C42 -101.8(2) . . . . ?
C43 P1 C37 C42 9.3(2) . . . . ?
Ge1 P1 C37 C42 135.27(19) . . . . ?
C49 P1 C37 C38 76.1(2) . . . . ?
C43 P1 C37 C38 -172.78(19) . . . . ?
Ge1 P1 C37 C38 -46.8(2) . . . . ?
C42 C37 C38 C39 0.5(4) . . . . ?
P1 C37 C38 C39 -177.6(2) . . . . ?
C37 C38 C39 C40 -1.3(4) . . . . ?
C38 C39 C40 C41 0.6(4) . . . . ?
C39 C40 C41 C42 1.0(4) . . . . ?
C40 C41 C42 C37 -1.8(4) . . . . ?
C38 C37 C42 C41 1.1(4) . . . . ?
P1 C37 C42 C41 179.0(2) . . . . ?
C37 P1 C43 C44 -77.3(2) . . . . ?
C49 P1 C43 C44 34.9(2) . . . . ?
Ge1 P1 C43 C44 163.21(18) . . . . ?
C37 P1 C43 C48 106.4(2) . . . . ?
C49 P1 C43 C48 -141.4(2) . . . . ?
Ge1 P1 C43 C48 -13.1(2) . . . . ?
C48 C43 C44 C45 1.6(4) . . . . ?
P1 C43 C44 C45 -174.7(2) . . . . ?
C43 C44 C45 C46 1.3(4) . . . . ?
C44 C45 C46 C47 -2.6(5) . . . . ?
C45 C46 C47 C48 1.1(4) . . . . ?
C46 C47 C48 C43 1.8(4) . . . . ?
C46 C47 C48 Sn1 176.1(2) . . . . ?
C44 C43 C48 C47 -3.1(4) . . . . ?
P1 C43 C48 C47 173.10(19) . . . . ?
C44 C43 C48 Sn1 -177.81(19) . . . . ?
P1 C43 C48 Sn1 -1.6(3) . . . . ?
C1 Sn1 C48 C47 55.9(2) . . . . ?
Cl1 Sn1 C48 C47 -47.4(2) . . . . ?
Ge1 Sn1 C48 C47 -161.3(2) . . . . ?
C1 Sn1 C48 C43 -129.78(18) . . . . ?
Cl1 Sn1 C48 C43 126.92(17) . . . . ?
Ge1 Sn1 C48 C43 12.99(19) . . . . ?
C37 P1 C49 C50 -8.7(2) . . . . ?
C43 P1 C49 C50 -122.9(2) . . . . ?
Ge1 P1 C49 C50 108.0(2) . . . . ?
C37 P1 C49 C54 171.2(2) . . . . ?
C43 P1 C49 C54 57.0(2) . . . . ?
Ge1 P1 C49 C54 -72.1(2) . . . . ?
C54 C49 C50 C51 -0.4(4) . . . . ?
P1 C49 C50 C51 179.6(2) . . . . ?
C49 C50 C51 C52 -0.3(4) . . . . ?
C50 C51 C52 C53 0.6(4) . . . . ?
C51 C52 C53 C54 -0.2(5) . . . . ?
C52 C53 C54 C49 -0.5(4) . . . . ?
C50 C49 C54 C53 0.8(4) . . . . ?
P1 C49 C54 C53 -179.2(2) . . . . ?
C62 C57 C58 C59 -0.5(8) . . . . ?
C56 C57 C58 C59 -176.3(5) . . . . ?
C57 C58 C59 C60 -0.3(7) . . . . ?
C58 C59 C60 C61 -0.3(7) . . . . ?
C59 C60 C61 C62 1.6(7) . . . . ?
C58 C57 C62 C61 1.8(8) . . . . ?
C56 C57 C62 C61 177.6(5) . . . . ?
C60 C61 C62 C57 -2.4(7) . . . . ?
C68 C64 C65 C66 -1.5(4) . . . . ?
C63 C64 C65 C66 177.6(3) . . . . ?
C64 C65 C66 C67 0.6(5) . . . . ?
C65 C66 C67 C69 0.4(5) . . . . ?
C65 C64 C68 C69 1.5(5) . . . . ?
C63 C64 C68 C69 -177.6(3) . . . . ?
C64 C68 C69 C67 -0.6(6) . . . . ?
C66 C67 C69 C68 -0.4(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        28.33
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.986
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.061
####################################################################### 
# 
# 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_kk92_0ma
_database_code_depnum_ccdc_archive 'CCDC 1457390'
_audit_update_record             
;
2016-03-03 deposited with the CCDC.
2016-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H79 Cl2 P Sn2'
_chemical_formula_weight         1235.56

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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pna2(1) '

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

_cell_length_a                   29.1761(10)
_cell_length_b                   19.7911(7)
_cell_length_c                   10.5653(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6100.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      28.30

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.337
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.172
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2544
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8846
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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            64733
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         28.30
_reflns_number_total             14893
_reflns_number_gt                14049
_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)+(0.0149P)²+2.8819P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(9)
_refine_ls_number_reflns         14893
_refine_ls_number_parameters     702
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0494
_refine_ls_wR_factor_gt          0.0485
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.109
_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
Cl1 Cl 0.32226(2) 0.42269(3) 0.13086(5) 0.02002(12) Uani 1 1 d . . .
Sn1 Sn 0.299839(4) 0.348326(7) 0.297854(15) 0.01054(3) Uani 1 1 d . . .
Cl2 Cl 0.30399(2) 0.23561(3) 0.00292(6) 0.02377(13) Uani 1 1 d . . .
Sn2 Sn 0.259751(5) 0.225592(8) 0.200988(17) 0.01507(3) Uani 1 1 d . . .
P1 P 0.333972(19) 0.18203(3) 0.32976(5) 0.01183(12) Uani 1 1 d . . .
C1 C 0.36761(7) 0.31525(12) 0.3570(2) 0.0122(4) Uani 1 1 d . . .
C2 C 0.40368(8) 0.36058(12) 0.3738(2) 0.0159(5) Uani 1 1 d . . .
H2 H 0.3985 0.4066 0.3639 0.019 Uiso 1 1 calc R . .
C3 C 0.44713(8) 0.33785(13) 0.4051(2) 0.0189(5) Uani 1 1 d . . .
H3 H 0.4709 0.3688 0.4145 0.023 Uiso 1 1 calc R . .
C4 C 0.45561(8) 0.27000(14) 0.4224(3) 0.0208(5) Uani 1 1 d . . .
H4 H 0.4846 0.2555 0.4467 0.025 Uiso 1 1 calc R . .
C5 C 0.42090(8) 0.22337(13) 0.4035(2) 0.0164(5) Uani 1 1 d . . .
H5 H 0.4267 0.1775 0.4134 0.020 Uiso 1 1 calc R . .
C6 C 0.37685(7) 0.24582(12) 0.3692(2) 0.0123(4) Uani 1 1 d . . .
C7 C 0.31337(8) 0.14438(12) 0.4753(2) 0.0152(5) Uani 1 1 d . . .
C8 C 0.33340(8) 0.15664(13) 0.5928(2) 0.0190(5) Uani 1 1 d . . .
H8 H 0.3588 0.1848 0.5987 0.023 Uiso 1 1 calc R . .
C9 C 0.31547(9) 0.12683(13) 0.7013(3) 0.0257(5) Uani 1 1 d . . .
H9 H 0.3286 0.1356 0.7798 0.031 Uiso 1 1 calc R . .
C10 C 0.27806(8) 0.08401(13) 0.6920(3) 0.0265(6) Uani 1 1 d . . .
H10 H 0.2663 0.0638 0.7646 0.032 Uiso 1 1 calc R . .
C11 C 0.25801(9) 0.07099(14) 0.5761(3) 0.0265(6) Uani 1 1 d . . .
H11 H 0.2331 0.0418 0.5706 0.032 Uiso 1 1 calc R . .
C12 C 0.27502(8) 0.10148(13) 0.4687(2) 0.0193(5) Uani 1 1 d . . .
H12 H 0.2610 0.0936 0.3910 0.023 Uiso 1 1 calc R . .
C13 C 0.36642(8) 0.11620(12) 0.2505(2) 0.0151(5) Uani 1 1 d . . .
C14 C 0.36646(8) 0.04937(11) 0.2915(3) 0.0214(5) Uani 1 1 d . . .
H14 H 0.3498 0.0371 0.3630 0.026 Uiso 1 1 calc R . .
C15 C 0.39139(9) 0.00102(14) 0.2253(3) 0.0283(6) Uani 1 1 d . . .
H15 H 0.3916 -0.0436 0.2531 0.034 Uiso 1 1 calc R . .
C16 C 0.41589(9) 0.01871(15) 0.1187(3) 0.0305(7) Uani 1 1 d . . .
H16 H 0.4324 -0.0139 0.0747 0.037 Uiso 1 1 calc R . .
C17 C 0.41579(9) 0.08482(16) 0.0775(3) 0.0301(7) Uani 1 1 d . . .
H17 H 0.4325 0.0968 0.0058 0.036 Uiso 1 1 calc R . .
C18 C 0.39106(8) 0.13350(14) 0.1420(2) 0.0223(5) Uani 1 1 d . . .
H18 H 0.3908 0.1779 0.1130 0.027 Uiso 1 1 calc R . .
C19 C 0.26425(7) 0.42342(11) 0.41321(19) 0.0107(4) Uani 1 1 d . . .
C20 C 0.28547(7) 0.47804(12) 0.4770(2) 0.0115(4) Uani 1 1 d . . .
C21 C 0.25805(8) 0.52840(12) 0.5293(2) 0.0158(5) Uani 1 1 d . . .
H21 H 0.2720 0.5638 0.5724 0.019 Uiso 1 1 calc R . .
C22 C 0.21076(8) 0.52746(12) 0.5191(2) 0.0171(5) Uani 1 1 d . . .
H22 H 0.1933 0.5629 0.5511 0.021 Uiso 1 1 calc R . .
C23 C 0.18989(7) 0.47305(12) 0.4607(2) 0.0139(5) Uani 1 1 d . . .
H23 H 0.1581 0.4713 0.4550 0.017 Uiso 1 1 calc R . .
C24 C 0.21624(8) 0.42060(12) 0.4101(2) 0.0126(4) Uani 1 1 d . . .
C25 C 0.19066(7) 0.35878(12) 0.3664(2) 0.0117(5) Uani 1 1 d . . .
C26 C 0.17411(8) 0.35244(12) 0.2417(2) 0.0122(5) Uani 1 1 d . . .
C27 C 0.14966(7) 0.29374(11) 0.2100(2) 0.0146(4) Uani 1 1 d . . .
H27 H 0.1380 0.2895 0.1285 0.018 Uiso 1 1 calc R . .
C28 C 0.14235(7) 0.24196(11) 0.2959(3) 0.0155(4) Uani 1 1 d . . .
C29 C 0.11645(8) 0.17810(13) 0.2599(2) 0.0196(5) Uani 1 1 d . . .
H29 H 0.1106 0.1797 0.1686 0.023 Uiso 1 1 calc R . .
C30 C 0.07028(9) 0.17547(16) 0.3267(3) 0.0355(8) Uani 1 1 d . . .
H30A H 0.0534 0.2160 0.3086 0.053 Uiso 1 1 calc R . .
H30B H 0.0750 0.1718 0.4164 0.053 Uiso 1 1 calc R . .
H30C H 0.0533 0.1370 0.2973 0.053 Uiso 1 1 calc R . .
C31 C 0.14430(9) 0.11414(12) 0.2871(3) 0.0282(6) Uani 1 1 d . . .
H31A H 0.1279 0.0754 0.2567 0.042 Uiso 1 1 calc R . .
H31B H 0.1490 0.1099 0.3767 0.042 Uiso 1 1 calc R . .
H31C H 0.1734 0.1170 0.2451 0.042 Uiso 1 1 calc R . .
C32 C 0.15929(8) 0.24964(12) 0.4178(2) 0.0145(5) Uani 1 1 d . . .
H32 H 0.1547 0.2151 0.4761 0.017 Uiso 1 1 calc R . .
C33 C 0.18278(7) 0.30711(12) 0.4557(2) 0.0129(5) Uani 1 1 d . . .
C34 C 0.19800(8) 0.31399(12) 0.5931(2) 0.0147(5) Uani 1 1 d . . .
H34 H 0.2116 0.3589 0.6038 0.018 Uiso 1 1 calc R . .
C35 C 0.15700(8) 0.30877(13) 0.6821(2) 0.0223(5) Uani 1 1 d . . .
H35A H 0.1355 0.3440 0.6629 0.033 Uiso 1 1 calc R . .
H35B H 0.1672 0.3134 0.7680 0.033 Uiso 1 1 calc R . .
H35C H 0.1425 0.2656 0.6713 0.033 Uiso 1 1 calc R . .
C36 C 0.23459(8) 0.26128(13) 0.6269(2) 0.0217(5) Uani 1 1 d . . .
H36A H 0.2225 0.2168 0.6137 0.033 Uiso 1 1 calc R . .
H36B H 0.2432 0.2664 0.7141 0.033 Uiso 1 1 calc R . .
H36C H 0.2610 0.2677 0.5741 0.033 Uiso 1 1 calc R . .
C37 C 0.18128(8) 0.40808(12) 0.1459(2) 0.0159(5) Uani 1 1 d . . .
H37 H 0.2060 0.4370 0.1777 0.019 Uiso 1 1 calc R . .
C38 C 0.19578(10) 0.38267(15) 0.0152(2) 0.0267(6) Uani 1 1 d . . .
H38A H 0.2011 0.4205 -0.0397 0.040 Uiso 1 1 calc R . .
H38B H 0.1719 0.3549 -0.0196 0.040 Uiso 1 1 calc R . .
H38C H 0.2234 0.3566 0.0228 0.040 Uiso 1 1 calc R . .
C39 C 0.13807(9) 0.45207(14) 0.1357(3) 0.0252(6) Uani 1 1 d . . .
H39A H 0.1442 0.4900 0.0816 0.038 Uiso 1 1 calc R . .
H39B H 0.1296 0.4679 0.2183 0.038 Uiso 1 1 calc R . .
H39C H 0.1135 0.4258 0.1007 0.038 Uiso 1 1 calc R . .
C40 C 0.33631(7) 0.48338(12) 0.5018(2) 0.0115(4) Uani 1 1 d . A .
C41 C 0.36233(8) 0.53386(12) 0.4404(2) 0.0149(5) Uani 1 1 d . . .
C42 C 0.40784(8) 0.54383(13) 0.4777(2) 0.0188(5) Uani 1 1 d . A .
H42 H 0.4253 0.5763 0.4361 0.023 Uiso 1 1 calc R . .
C43 C 0.42780(8) 0.50700(13) 0.5744(2) 0.0189(5) Uani 1 1 d . . .
C44 C 0.40144(8) 0.45721(12) 0.6328(2) 0.0183(5) Uani 1 1 d . A .
H44 H 0.4145 0.4315 0.6971 0.022 Uiso 1 1 calc R . .
C45 C 0.35627(8) 0.44457(12) 0.5981(2) 0.0151(5) Uani 1 1 d . . .
C46 C 0.32890(9) 0.39176(13) 0.6710(2) 0.0200(5) Uani 1 1 d . A .
H46 H 0.3049 0.3748 0.6142 0.024 Uiso 1 1 calc R . .
C47 C 0.35765(9) 0.33113(13) 0.7128(3) 0.0288(6) Uani 1 1 d . . .
H47A H 0.3751 0.3146 0.6423 0.043 Uiso 1 1 calc R A .
H47B H 0.3378 0.2960 0.7432 0.043 Uiso 1 1 calc R . .
H47C H 0.3781 0.3447 0.7793 0.043 Uiso 1 1 calc R . .
C48 C 0.30499(11) 0.42396(16) 0.7851(3) 0.0410(7) Uani 1 1 d . . .
H48A H 0.2837 0.4576 0.7563 0.061 Uiso 1 1 calc R A .
H48B H 0.3275 0.4447 0.8389 0.061 Uiso 1 1 calc R . .
H48C H 0.2889 0.3898 0.8317 0.061 Uiso 1 1 calc R . .
C54 C 0.34188(8) 0.57913(13) 0.3393(2) 0.0193(5) Uani 1 1 d . . .
H54 H 0.3125 0.5593 0.3137 0.023 Uiso 1 1 calc R . .
C55 C 0.37182(9) 0.58487(15) 0.2205(3) 0.0300(6) Uani 1 1 d . . .
H55A H 0.3785 0.5405 0.1889 0.045 Uiso 1 1 calc R . .
H55B H 0.3999 0.6075 0.2414 0.045 Uiso 1 1 calc R . .
H55C H 0.3558 0.6102 0.1570 0.045 Uiso 1 1 calc R . .
C56 C 0.33199(10) 0.64954(14) 0.3929(3) 0.0291(6) Uani 1 1 d . . .
H56A H 0.3156 0.6757 0.3312 0.044 Uiso 1 1 calc R . .
H56B H 0.3604 0.6717 0.4129 0.044 Uiso 1 1 calc R . .
H56C H 0.3138 0.6454 0.4683 0.044 Uiso 1 1 calc R . .
C57 C 0.44346(12) 0.7761(2) 0.4151(3) 0.0475(9) Uani 1 1 d . . .
H57 H 0.4153 0.7941 0.3916 0.057 Uiso 1 1 calc R . .
C58 C 0.46506(13) 0.73085(18) 0.3388(3) 0.0480(9) Uani 1 1 d . . .
H58 H 0.4516 0.7180 0.2628 0.058 Uiso 1 1 calc R . .
C59 C 0.50720(13) 0.7037(2) 0.3735(3) 0.0506(9) Uani 1 1 d . . .
H59 H 0.5218 0.6731 0.3202 0.061 Uiso 1 1 calc R . .
C60 C 0.52775(11) 0.72191(19) 0.4875(3) 0.0428(9) Uani 1 1 d . . .
C61 C 0.57343(13) 0.6924(2) 0.5259(4) 0.0687(13) Uani 1 1 d . . .
H61A H 0.5759 0.6470 0.4943 0.103 Uiso 1 1 calc R . .
H61B H 0.5757 0.6920 0.6165 0.103 Uiso 1 1 calc R . .
H61C H 0.5977 0.7194 0.4912 0.103 Uiso 1 1 calc R . .
C62 C 0.50535(10) 0.76835(18) 0.5630(3) 0.0397(8) Uani 1 1 d . . .
H62 H 0.5186 0.7818 0.6390 0.048 Uiso 1 1 calc R . .
C63 C 0.46363(11) 0.7951(2) 0.5273(3) 0.0472(9) Uani 1 1 d . . .
H63 H 0.4490 0.8262 0.5795 0.057 Uiso 1 1 calc R . .
C64 C 0.46426(12) 0.1151(2) 0.7184(4) 0.0510(9) Uani 1 1 d . . .
H64A H 0.4490 0.1581 0.7179 0.076 Uiso 1 1 calc R . .
H64B H 0.4859 0.1138 0.7868 0.076 Uiso 1 1 calc R . .
H64C H 0.4420 0.0798 0.7294 0.076 Uiso 1 1 calc R . .
C65 C 0.48891(9) 0.10516(15) 0.5955(3) 0.0282(6) Uani 1 1 d . . .
C66 C 0.52811(10) 0.14217(14) 0.5663(3) 0.0317(7) Uani 1 1 d . . .
H66 H 0.5397 0.1725 0.6254 0.038 Uiso 1 1 calc R . .
C67 C 0.55002(10) 0.13471(16) 0.4515(3) 0.0363(8) Uani 1 1 d . . .
H67 H 0.5762 0.1598 0.4335 0.044 Uiso 1 1 calc R . .
C68 C 0.53295(11) 0.09013(19) 0.3639(3) 0.0446(9) Uani 1 1 d . . .
H68 H 0.5474 0.0852 0.2861 0.054 Uiso 1 1 calc R . .
C69 C 0.49456(11) 0.0528(2) 0.3911(3) 0.0466(9) Uani 1 1 d . . .
H69 H 0.4831 0.0226 0.3316 0.056 Uiso 1 1 calc R . .
C70 C 0.47314(10) 0.06001(17) 0.5059(3) 0.0346(7) Uani 1 1 d . . .
H70 H 0.4474 0.0339 0.5238 0.042 Uiso 1 1 calc R . .
C71 C 0.51230(18) 0.5051(3) 0.5008(6) 0.0320(15) Uani 0.503(5) 1 d PU A 1
H71A H 0.5097 0.4572 0.4894 0.048 Uiso 0.503(5) 1 calc PR A 1
H71B H 0.5430 0.5161 0.5264 0.048 Uiso 0.503(5) 1 calc PR A 1
H71C H 0.5054 0.5276 0.4225 0.048 Uiso 0.503(5) 1 calc PR A 1
C75 C 0.4785(4) 0.5283(6) 0.6029(9) 0.0154(19) Uani 0.503(5) 1 d PU A 1
H75 H 0.4798 0.5777 0.6082 0.018 Uiso 0.503(5) 1 calc PR A 1
C72 C 0.49222(18) 0.4992(3) 0.7320(5) 0.0283(14) Uani 0.503(5) 1 d PU A 1
H72A H 0.4934 0.4508 0.7268 0.042 Uiso 0.503(5) 1 calc PR A 1
H72B H 0.4700 0.5123 0.7944 0.042 Uiso 0.503(5) 1 calc PR A 1
H72C H 0.5218 0.5162 0.7557 0.042 Uiso 0.503(5) 1 calc PR A 1
C73 C 0.49743(18) 0.5801(3) 0.5867(5) 0.0266(14) Uani 0.497(5) 1 d PU A 2
H73A H 0.5054 0.5731 0.4996 0.040 Uiso 0.497(5) 1 calc PR A 2
H73B H 0.5247 0.5893 0.6347 0.040 Uiso 0.497(5) 1 calc PR A 2
H73C H 0.4768 0.6177 0.5934 0.040 Uiso 0.497(5) 1 calc PR A 2
C76 C 0.4742(5) 0.5166(6) 0.6388(9) 0.018(2) Uani 0.497(5) 1 d PU A 2
H76 H 0.4688 0.5235 0.7294 0.021 Uiso 0.497(5) 1 calc PR A 2
C74 C 0.50627(17) 0.4561(3) 0.6239(5) 0.0261(13) Uani 0.497(5) 1 d PU A 2
H74A H 0.5149 0.4515 0.5366 0.039 Uiso 0.497(5) 1 calc PR A 2
H74B H 0.4909 0.4158 0.6512 0.039 Uiso 0.497(5) 1 calc PR A 2
H74C H 0.5332 0.4629 0.6744 0.039 Uiso 0.497(5) 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
Cl1 Sn1 2.3889(6) . ?
Sn1 C1 2.175(2) . ?
Sn1 C19 2.184(2) . ?
Sn1 Sn2 2.8837(2) . ?
Cl2 Sn2 2.4667(6) . ?
Sn2 P1 2.6988(6) . ?
P1 C7 1.811(2) . ?
P1 C13 1.815(2) . ?
P1 C6 1.826(2) . ?
C1 C2 1.394(3) . ?
C1 C6 1.406(3) . ?
C2 C3 1.385(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.407(3) . ?
C5 H5 0.9300 . ?
C7 C8 1.393(3) . ?
C7 C12 1.406(3) . ?
C8 C9 1.392(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.385(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.382(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.392(3) . ?
C13 C18 1.396(3) . ?
C14 C15 1.391(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.379(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.402(3) . ?
C19 C20 1.416(3) . ?
C20 C21 1.392(3) . ?
C20 C40 1.510(3) . ?
C21 C22 1.384(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.398(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.506(3) . ?
C25 C26 1.409(3) . ?
C25 C33 1.410(3) . ?
C26 C27 1.404(3) . ?
C26 C37 1.510(3) . ?
C27 C28 1.385(3) . ?
C27 H27 0.9300 . ?
C28 C32 1.389(3) . ?
C28 C29 1.521(3) . ?
C29 C30 1.522(3) . ?
C29 C31 1.532(4) . ?
C29 H29 0.9800 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.387(3) . ?
C32 H32 0.9300 . ?
C33 C34 1.524(3) . ?
C34 C35 1.525(3) . ?
C34 C36 1.535(3) . ?
C34 H34 0.9800 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.530(3) . ?
C37 C39 1.536(3) . ?
C37 H37 0.9800 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 C45 1.401(3) . ?
C40 C41 1.413(3) . ?
C41 C42 1.399(3) . ?
C41 C54 1.516(3) . ?
C42 C43 1.384(4) . ?
C42 H42 0.9300 . ?
C43 C44 1.394(4) . ?
C43 C76 1.527(14) . ?
C43 C75 1.568(13) . ?
C44 C45 1.390(3) . ?
C44 H44 0.9300 . ?
C45 C46 1.524(3) . ?
C46 C47 1.529(4) . ?
C46 C48 1.532(4) . ?
C46 H46 0.9800 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C54 C56 1.532(4) . ?
C54 C55 1.533(3) . ?
C54 H54 0.9800 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.360(5) . ?
C57 C63 1.375(5) . ?
C57 H57 0.9300 . ?
C58 C59 1.391(5) . ?
C58 H58 0.9300 . ?
C59 C60 1.393(5) . ?
C59 H59 0.9300 . ?
C60 C62 1.381(5) . ?
C60 C61 1.511(5) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 C63 1.380(5) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C64 C65 1.498(4) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C70 1.380(4) . ?
C65 C66 1.392(4) . ?
C66 C67 1.380(4) . ?
C66 H66 0.9300 . ?
C67 C68 1.372(5) . ?
C67 H67 0.9300 . ?
C68 C69 1.372(5) . ?
C68 H68 0.9300 . ?
C69 C70 1.373(5) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 C75 1.532(12) . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C75 C72 1.534(11) . ?
C75 H75 0.9800 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C76 1.529(11) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C76 C74 1.528(14) . ?
C76 H76 0.9800 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 C19 118.46(8) . . ?
C1 Sn1 Cl1 98.56(6) . . ?
C19 Sn1 Cl1 97.07(6) . . ?
C1 Sn1 Sn2 102.55(6) . . ?
C19 Sn1 Sn2 125.33(6) . . ?
Cl1 Sn1 Sn2 111.587(17) . . ?
Cl2 Sn2 P1 91.92(2) . . ?
Cl2 Sn2 Sn1 91.212(16) . . ?
P1 Sn2 Sn1 76.393(13) . . ?
C7 P1 C13 105.62(11) . . ?
C7 P1 C6 108.57(11) . . ?
C13 P1 C6 104.14(11) . . ?
C7 P1 Sn2 107.04(8) . . ?
C13 P1 Sn2 114.54(7) . . ?
C6 P1 Sn2 116.35(8) . . ?
C2 C1 C6 118.2(2) . . ?
C2 C1 Sn1 121.95(17) . . ?
C6 C1 Sn1 119.64(16) . . ?
C3 C2 C1 120.8(2) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 120.8(2) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.0(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.6(2) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.5(2) . . ?
C1 C6 P1 121.58(17) . . ?
C5 C6 P1 117.79(18) . . ?
C8 C7 C12 118.9(2) . . ?
C8 C7 P1 123.06(18) . . ?
C12 C7 P1 118.05(18) . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 119.8(3) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C12 C11 C10 119.7(2) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C7 120.7(2) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C14 C13 C18 119.2(2) . . ?
C14 C13 P1 122.63(19) . . ?
C18 C13 P1 118.12(19) . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C24 C19 C20 118.6(2) . . ?
C24 C19 Sn1 115.76(16) . . ?
C20 C19 Sn1 125.24(15) . . ?
C21 C20 C19 118.9(2) . . ?
C21 C20 C40 116.4(2) . . ?
C19 C20 C40 124.4(2) . . ?
C22 C21 C20 122.2(2) . . ?
C22 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
C23 C22 C21 118.9(2) . . ?
C23 C22 H22 120.5 . . ?
C21 C22 H22 120.5 . . ?
C22 C23 C24 120.5(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.7(2) . . ?
C23 C24 C25 116.6(2) . . ?
C19 C24 C25 122.3(2) . . ?
C26 C25 C33 120.3(2) . . ?
C26 C25 C24 121.9(2) . . ?
C33 C25 C24 117.7(2) . . ?
C27 C26 C25 118.1(2) . . ?
C27 C26 C37 120.9(2) . . ?
C25 C26 C37 121.0(2) . . ?
C28 C27 C26 122.3(2) . . ?
C28 C27 H27 118.9 . . ?
C26 C27 H27 118.9 . . ?
C27 C28 C32 118.2(2) . . ?
C27 C28 C29 121.8(2) . . ?
C32 C28 C29 120.0(2) . . ?
C28 C29 C30 110.6(2) . . ?
C28 C29 C31 112.1(2) . . ?
C30 C29 C31 110.7(2) . . ?
C28 C29 H29 107.7 . . ?
C30 C29 H29 107.7 . . ?
C31 C29 H29 107.7 . . ?
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 . . ?
C33 C32 C28 122.2(2) . . ?
C33 C32 H32 118.9 . . ?
C28 C32 H32 118.9 . . ?
C32 C33 C25 118.8(2) . . ?
C32 C33 C34 119.5(2) . . ?
C25 C33 C34 121.7(2) . . ?
C33 C34 C35 110.62(19) . . ?
C33 C34 C36 111.32(19) . . ?
C35 C34 C36 110.9(2) . . ?
C33 C34 H34 108.0 . . ?
C35 C34 H34 108.0 . . ?
C36 C34 H34 108.0 . . ?
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 . . ?
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 . . ?
C26 C37 C38 113.8(2) . . ?
C26 C37 C39 110.30(19) . . ?
C38 C37 C39 110.5(2) . . ?
C26 C37 H37 107.3 . . ?
C38 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 . . ?
C45 C40 C41 119.9(2) . . ?
C45 C40 C20 119.7(2) . . ?
C41 C40 C20 119.8(2) . . ?
C42 C41 C40 118.7(2) . . ?
C42 C41 C54 119.3(2) . . ?
C40 C41 C54 122.0(2) . . ?
C43 C42 C41 122.2(2) . . ?
C43 C42 H42 118.9 . . ?
C41 C42 H42 118.9 . . ?
C42 C43 C44 117.8(2) . . ?
C42 C43 C76 129.5(4) . . ?
C44 C43 C76 112.4(4) . . ?
C42 C43 C75 113.4(4) . . ?
C44 C43 C75 128.8(4) . . ?
C45 C44 C43 122.3(2) . . ?
C45 C44 H44 118.9 . . ?
C43 C44 H44 118.9 . . ?
C44 C45 C40 119.1(2) . . ?
C44 C45 C46 119.1(2) . . ?
C40 C45 C46 121.6(2) . . ?
C45 C46 C47 113.4(2) . . ?
C45 C46 C48 110.5(2) . . ?
C47 C46 C48 110.4(2) . . ?
C45 C46 H46 107.4 . . ?
C47 C46 H46 107.4 . . ?
C48 C46 H46 107.4 . . ?
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 . . ?
C41 C54 C56 110.6(2) . . ?
C41 C54 C55 113.3(2) . . ?
C56 C54 C55 110.0(2) . . ?
C41 C54 H54 107.6 . . ?
C56 C54 H54 107.6 . . ?
C55 C54 H54 107.6 . . ?
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 C63 119.5(3) . . ?
C58 C57 H57 120.3 . . ?
C63 C57 H57 120.3 . . ?
C57 C58 C59 120.5(3) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C58 C59 C60 120.6(3) . . ?
C58 C59 H59 119.7 . . ?
C60 C59 H59 119.7 . . ?
C62 C60 C59 117.9(3) . . ?
C62 C60 C61 121.3(3) . . ?
C59 C60 C61 120.8(3) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C60 121.0(3) . . ?
C63 C62 H62 119.5 . . ?
C60 C62 H62 119.5 . . ?
C57 C63 C62 120.5(4) . . ?
C57 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C65 C64 H64A 109.5 . . ?
C65 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C65 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C70 C65 C66 117.6(3) . . ?
C70 C65 C64 121.3(3) . . ?
C66 C65 C64 121.1(3) . . ?
C67 C66 C65 121.3(3) . . ?
C67 C66 H66 119.4 . . ?
C65 C66 H66 119.4 . . ?
C68 C67 C66 119.6(3) . . ?
C68 C67 H67 120.2 . . ?
C66 C67 H67 120.2 . . ?
C67 C68 C69 120.1(3) . . ?
C67 C68 H68 119.9 . . ?
C69 C68 H68 119.9 . . ?
C68 C69 C70 120.0(3) . . ?
C68 C69 H69 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 C65 121.4(3) . . ?
C69 C70 H70 119.3 . . ?
C65 C70 H70 119.3 . . ?
C71 C75 C72 110.2(9) . . ?
C71 C75 C43 113.0(8) . . ?
C72 C75 C43 108.4(6) . . ?
C71 C75 H75 108.3 . . ?
C72 C75 H75 108.3 . . ?
C43 C75 H75 108.3 . . ?
C76 C73 H73A 109.5 . . ?
C76 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C76 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C43 C76 C74 113.5(9) . . ?
C43 C76 C73 109.6(7) . . ?
C74 C76 C73 109.6(8) . . ?
C43 C76 H76 108.0 . . ?
C74 C76 H76 108.0 . . ?
C73 C76 H76 108.0 . . ?
C76 C74 H74A 109.5 . . ?
C76 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C76 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 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 Sn2 Cl2 -77.44(6) . . . . ?
C19 Sn1 Sn2 Cl2 143.44(7) . . . . ?
Cl1 Sn1 Sn2 Cl2 27.16(2) . . . . ?
C1 Sn1 Sn2 P1 14.24(6) . . . . ?
C19 Sn1 Sn2 P1 -124.88(7) . . . . ?
Cl1 Sn1 Sn2 P1 118.84(2) . . . . ?
Cl2 Sn2 P1 C7 -163.68(8) . . . . ?
Sn1 Sn2 P1 C7 105.53(8) . . . . ?
Cl2 Sn2 P1 C13 -46.97(9) . . . . ?
Sn1 Sn2 P1 C13 -137.75(9) . . . . ?
Cl2 Sn2 P1 C6 74.75(8) . . . . ?
Sn1 Sn2 P1 C6 -16.03(8) . . . . ?
C19 Sn1 C1 C2 -57.4(2) . . . . ?
Cl1 Sn1 C1 C2 45.52(19) . . . . ?
Sn2 Sn1 C1 C2 160.01(17) . . . . ?
C19 Sn1 C1 C6 127.90(17) . . . . ?
Cl1 Sn1 C1 C6 -129.20(16) . . . . ?
Sn2 Sn1 C1 C6 -14.71(18) . . . . ?
C6 C1 C2 C3 -1.8(3) . . . . ?
Sn1 C1 C2 C3 -176.57(18) . . . . ?
C1 C2 C3 C4 -1.1(4) . . . . ?
C2 C3 C4 C5 2.6(4) . . . . ?
C3 C4 C5 C6 -1.3(4) . . . . ?
C2 C1 C6 C5 3.1(3) . . . . ?
Sn1 C1 C6 C5 177.99(17) . . . . ?
C2 C1 C6 P1 -172.22(17) . . . . ?
Sn1 C1 C6 P1 2.7(2) . . . . ?
C4 C5 C6 C1 -1.6(3) . . . . ?
C4 C5 C6 P1 173.87(19) . . . . ?
C7 P1 C6 C1 -107.96(19) . . . . ?
C13 P1 C6 C1 139.86(18) . . . . ?
Sn2 P1 C6 C1 12.8(2) . . . . ?
C7 P1 C6 C5 76.6(2) . . . . ?
C13 P1 C6 C5 -35.6(2) . . . . ?
Sn2 P1 C6 C5 -162.62(15) . . . . ?
C13 P1 C7 C8 102.2(2) . . . . ?
C6 P1 C7 C8 -9.0(2) . . . . ?
Sn2 P1 C7 C8 -135.36(19) . . . . ?
C13 P1 C7 C12 -78.6(2) . . . . ?
C6 P1 C7 C12 170.21(18) . . . . ?
Sn2 P1 C7 C12 43.9(2) . . . . ?
C12 C7 C8 C9 -0.1(4) . . . . ?
P1 C7 C8 C9 179.08(19) . . . . ?
C7 C8 C9 C10 1.0(4) . . . . ?
C8 C9 C10 C11 -0.6(4) . . . . ?
C9 C10 C11 C12 -0.8(4) . . . . ?
C10 C11 C12 C7 1.7(4) . . . . ?
C8 C7 C12 C11 -1.2(4) . . . . ?
P1 C7 C12 C11 179.5(2) . . . . ?
C7 P1 C13 C14 9.5(2) . . . . ?
C6 P1 C13 C14 123.8(2) . . . . ?
Sn2 P1 C13 C14 -108.03(19) . . . . ?
C7 P1 C13 C18 -172.52(18) . . . . ?
C6 P1 C13 C18 -58.2(2) . . . . ?
Sn2 P1 C13 C18 69.95(19) . . . . ?
C18 C13 C14 C15 0.9(4) . . . . ?
P1 C13 C14 C15 178.83(19) . . . . ?
C13 C14 C15 C16 -0.4(4) . . . . ?
C14 C15 C16 C17 0.2(4) . . . . ?
C15 C16 C17 C18 -0.4(4) . . . . ?
C16 C17 C18 C13 0.8(4) . . . . ?
C14 C13 C18 C17 -1.1(4) . . . . ?
P1 C13 C18 C17 -179.1(2) . . . . ?
C1 Sn1 C19 C24 -151.52(16) . . . . ?
Cl1 Sn1 C19 C24 104.73(16) . . . . ?
Sn2 Sn1 C19 C24 -18.11(19) . . . . ?
C1 Sn1 C19 C20 36.2(2) . . . . ?
Cl1 Sn1 C19 C20 -67.54(18) . . . . ?
Sn2 Sn1 C19 C20 169.62(15) . . . . ?
C24 C19 C20 C21 -2.8(3) . . . . ?
Sn1 C19 C20 C21 169.26(16) . . . . ?
C24 C19 C20 C40 172.2(2) . . . . ?
Sn1 C19 C20 C40 -15.7(3) . . . . ?
C19 C20 C21 C22 -1.1(4) . . . . ?
C40 C20 C21 C22 -176.6(2) . . . . ?
C20 C21 C22 C23 3.3(4) . . . . ?
C21 C22 C23 C24 -1.4(4) . . . . ?
C22 C23 C24 C19 -2.5(3) . . . . ?
C22 C23 C24 C25 170.9(2) . . . . ?
C20 C19 C24 C23 4.6(3) . . . . ?
Sn1 C19 C24 C23 -168.18(17) . . . . ?
C20 C19 C24 C25 -168.4(2) . . . . ?
Sn1 C19 C24 C25 18.8(3) . . . . ?
C23 C24 C25 C26 89.9(3) . . . . ?
C19 C24 C25 C26 -96.8(3) . . . . ?
C23 C24 C25 C33 -88.9(3) . . . . ?
C19 C24 C25 C33 84.4(3) . . . . ?
C33 C25 C26 C27 0.2(3) . . . . ?
C24 C25 C26 C27 -178.5(2) . . . . ?
C33 C25 C26 C37 178.5(2) . . . . ?
C24 C25 C26 C37 -0.2(3) . . . . ?
C25 C26 C27 C28 -1.4(3) . . . . ?
C37 C26 C27 C28 -179.7(2) . . . . ?
C26 C27 C28 C32 1.1(3) . . . . ?
C26 C27 C28 C29 -179.0(2) . . . . ?
C27 C28 C29 C30 -110.6(3) . . . . ?
C32 C28 C29 C30 69.2(3) . . . . ?
C27 C28 C29 C31 125.3(2) . . . . ?
C32 C28 C29 C31 -54.9(3) . . . . ?
C27 C28 C32 C33 0.4(3) . . . . ?
C29 C28 C32 C33 -179.4(2) . . . . ?
C28 C32 C33 C25 -1.6(3) . . . . ?
C28 C32 C33 C34 176.4(2) . . . . ?
C26 C25 C33 C32 1.2(3) . . . . ?
C24 C25 C33 C32 -180.0(2) . . . . ?
C26 C25 C33 C34 -176.7(2) . . . . ?
C24 C25 C33 C34 2.1(3) . . . . ?
C32 C33 C34 C35 -57.4(3) . . . . ?
C25 C33 C34 C35 120.5(2) . . . . ?
C32 C33 C34 C36 66.3(3) . . . . ?
C25 C33 C34 C36 -115.7(2) . . . . ?
C27 C26 C37 C38 -45.0(3) . . . . ?
C25 C26 C37 C38 136.7(2) . . . . ?
C27 C26 C37 C39 79.8(3) . . . . ?
C25 C26 C37 C39 -98.5(3) . . . . ?
C21 C20 C40 C45 99.0(3) . . . . ?
C19 C20 C40 C45 -76.1(3) . . . . ?
C21 C20 C40 C41 -72.3(3) . . . . ?
C19 C20 C40 C41 112.6(3) . . . . ?
C45 C40 C41 C42 0.0(3) . . . . ?
C20 C40 C41 C42 171.3(2) . . . . ?
C45 C40 C41 C54 -177.5(2) . . . . ?
C20 C40 C41 C54 -6.2(3) . . . . ?
C40 C41 C42 C43 -1.5(4) . . . . ?
C54 C41 C42 C43 176.1(2) . . . . ?
C41 C42 C43 C44 1.9(4) . . . . ?
C41 C42 C43 C76 -171.4(6) . . . . ?
C41 C42 C43 C75 -178.1(5) . . . . ?
C42 C43 C44 C45 -1.0(4) . . . . ?
C76 C43 C44 C45 173.5(6) . . . . ?
C75 C43 C44 C45 179.1(6) . . . . ?
C43 C44 C45 C40 -0.4(3) . . . . ?
C43 C44 C45 C46 -176.9(2) . . . . ?
C41 C40 C45 C44 0.9(3) . . . . ?
C20 C40 C45 C44 -170.4(2) . . . . ?
C41 C40 C45 C46 177.2(2) . . . . ?
C20 C40 C45 C46 5.9(3) . . . . ?
C44 C45 C46 C47 -36.0(3) . . . . ?
C40 C45 C46 C47 147.6(2) . . . . ?
C44 C45 C46 C48 88.5(3) . . . . ?
C40 C45 C46 C48 -87.9(3) . . . . ?
C42 C41 C54 C56 -74.0(3) . . . . ?
C40 C41 C54 C56 103.5(3) . . . . ?
C42 C41 C54 C55 50.1(3) . . . . ?
C40 C41 C54 C55 -132.4(2) . . . . ?
C63 C57 C58 C59 0.1(5) . . . . ?
C57 C58 C59 C60 0.6(6) . . . . ?
C58 C59 C60 C62 -1.1(6) . . . . ?
C58 C59 C60 C61 179.8(4) . . . . ?
C59 C60 C62 C63 0.9(6) . . . . ?
C61 C60 C62 C63 -180.0(4) . . . . ?
C58 C57 C63 C62 -0.3(5) . . . . ?
C60 C62 C63 C57 -0.2(6) . . . . ?
C70 C65 C66 C67 0.9(4) . . . . ?
C64 C65 C66 C67 -177.8(3) . . . . ?
C65 C66 C67 C68 0.1(4) . . . . ?
C66 C67 C68 C69 -0.6(5) . . . . ?
C67 C68 C69 C70 0.0(5) . . . . ?
C68 C69 C70 C65 1.0(5) . . . . ?
C66 C65 C70 C69 -1.5(4) . . . . ?
C64 C65 C70 C69 177.3(3) . . . . ?
C42 C43 C75 C71 -73.0(8) . . . . ?
C44 C43 C75 C71 107.0(6) . . . . ?
C76 C43 C75 C71 125(4) . . . . ?
C42 C43 C75 C72 164.5(5) . . . . ?
C44 C43 C75 C72 -15.5(10) . . . . ?
C76 C43 C75 C72 2(2) . . . . ?
C42 C43 C76 C74 -118.8(6) . . . . ?
C44 C43 C76 C74 67.6(6) . . . . ?
C75 C43 C76 C74 -97(3) . . . . ?
C42 C43 C76 C73 4.2(11) . . . . ?
C44 C43 C76 C73 -169.5(5) . . . . ?
C75 C43 C76 C73 26(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.30
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.066
####################################################################### 
# 
# 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_kk94_0m
_database_code_depnum_ccdc_archive 'CCDC 1457391'
_audit_update_record             
;
2016-03-03 deposited with the CCDC.
2016-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H75 Cl2 P Sn'
_chemical_formula_weight         1016.76

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbca '

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

_cell_length_a                   14.7617(3)
_cell_length_b                   24.9093(5)
_cell_length_c                   29.0690(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     10688.8(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9987
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      28.26

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.246
_exptl_crystal_size_mid          0.206
_exptl_crystal_size_min          0.160
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4272
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9408
_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            91447
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         28.28
_reflns_number_total             13265
_reflns_number_gt                10652
_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)+(0.0298P)²+17.7833P] 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         13265
_refine_ls_number_parameters     590
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0360
_refine_ls_wR_factor_ref         0.0858
_refine_ls_wR_factor_gt          0.0782
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.034
_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 0.759071(10) 0.213635(6) 0.087433(5) 0.01456(4) Uani 1 1 d . . .
Cl1 Cl 0.70726(4) 0.29944(2) 0.06710(2) 0.02157(12) Uani 1 1 d . . .
Cl2 Cl 0.62424(4) 0.16771(2) 0.06875(2) 0.02241(12) Uani 1 1 d . . .
P1 P 0.94719(4) 0.27465(2) 0.06570(2) 0.01698(12) Uani 1 1 d . . .
C1 C 0.78113(14) 0.19980(8) 0.15910(8) 0.0147(4) Uani 1 1 d . . .
C2 C 0.81131(14) 0.14832(8) 0.17244(8) 0.0151(4) Uani 1 1 d . . .
C3 C 0.83312(15) 0.13932(8) 0.21848(8) 0.0177(4) Uani 1 1 d . . .
H3 H 0.8544 0.1050 0.2277 0.021 Uiso 1 1 calc R . .
C4 C 0.82412(15) 0.17969(9) 0.25085(8) 0.0184(4) Uani 1 1 d . . .
H4 H 0.8415 0.1734 0.2818 0.022 Uiso 1 1 calc R . .
C5 C 0.78977(15) 0.22926(8) 0.23811(8) 0.0174(4) Uani 1 1 d . . .
H5 H 0.7820 0.2563 0.2608 0.021 Uiso 1 1 calc R . .
C6 C 0.76637(14) 0.24013(8) 0.19247(8) 0.0141(4) Uani 1 1 d . . .
C7 C 0.71692(15) 0.29171(8) 0.18318(7) 0.0148(4) Uani 1 1 d . . .
C8 C 0.76342(15) 0.34102(8) 0.18026(7) 0.0153(4) Uani 1 1 d . . .
C9 C 0.71357(16) 0.38815(8) 0.17614(8) 0.0184(4) Uani 1 1 d . . .
H9 H 0.7450 0.4213 0.1740 0.022 Uiso 1 1 calc R . .
C10 C 0.61943(16) 0.38854(9) 0.17504(8) 0.0180(4) Uani 1 1 d . . .
C11 C 0.57011(16) 0.44200(9) 0.17233(9) 0.0219(5) Uani 1 1 d . . .
H11 H 0.6041 0.4651 0.1501 0.026 Uiso 1 1 calc R . .
C12 C 0.57221(19) 0.47049(9) 0.21904(10) 0.0285(6) Uani 1 1 d . . .
H12A H 0.6352 0.4745 0.2292 0.043 Uiso 1 1 calc R . .
H12B H 0.5386 0.4492 0.2417 0.043 Uiso 1 1 calc R . .
H12C H 0.5442 0.5060 0.2161 0.043 Uiso 1 1 calc R . .
C13 C 0.47319(18) 0.43752(10) 0.15477(10) 0.0307(6) Uani 1 1 d . . .
H13A H 0.4483 0.4735 0.1499 0.046 Uiso 1 1 calc R . .
H13B H 0.4362 0.4184 0.1775 0.046 Uiso 1 1 calc R . .
H13C H 0.4727 0.4177 0.1256 0.046 Uiso 1 1 calc R . .
C14 C 0.57461(16) 0.33937(8) 0.17725(8) 0.0175(4) Uani 1 1 d . . .
H14 H 0.5103 0.3388 0.1760 0.021 Uiso 1 1 calc R . .
C15 C 0.62172(15) 0.29072(8) 0.18121(8) 0.0154(4) Uani 1 1 d . . .
C16 C 0.56914(15) 0.23828(8) 0.18526(8) 0.0176(4) Uani 1 1 d . . .
H16 H 0.6091 0.2091 0.1732 0.021 Uiso 1 1 calc R . .
C17 C 0.48190(16) 0.23715(9) 0.15692(9) 0.0218(5) Uani 1 1 d . . .
H17A H 0.4949 0.2488 0.1254 0.033 Uiso 1 1 calc R . .
H17B H 0.4373 0.2614 0.1708 0.033 Uiso 1 1 calc R . .
H17C H 0.4576 0.2005 0.1564 0.033 Uiso 1 1 calc R . .
C18 C 0.54929(18) 0.22540(11) 0.23570(9) 0.0302(6) Uani 1 1 d . . .
H18A H 0.5200 0.1902 0.2378 0.045 Uiso 1 1 calc R . .
H18B H 0.5090 0.2529 0.2485 0.045 Uiso 1 1 calc R . .
H18C H 0.6061 0.2249 0.2531 0.045 Uiso 1 1 calc R . .
C19 C 0.86613(15) 0.34375(8) 0.18132(9) 0.0203(5) Uani 1 1 d . . .
H19 H 0.8900 0.3071 0.1744 0.024 Uiso 1 1 calc R . .
C20 C 0.89996(18) 0.35978(11) 0.22930(10) 0.0309(6) Uani 1 1 d . . .
H20A H 0.9663 0.3602 0.2295 0.046 Uiso 1 1 calc R . .
H20B H 0.8781 0.3338 0.2520 0.046 Uiso 1 1 calc R . .
H20C H 0.8771 0.3956 0.2370 0.046 Uiso 1 1 calc R . .
C21 C 0.90381(18) 0.38240(9) 0.14515(10) 0.0276(6) Uani 1 1 d . . .
H21A H 0.8752 0.3751 0.1154 0.041 Uiso 1 1 calc R . .
H21B H 0.9694 0.3774 0.1425 0.041 Uiso 1 1 calc R . .
H21C H 0.8910 0.4195 0.1544 0.041 Uiso 1 1 calc R . .
C22 C 0.81044(15) 0.10149(8) 0.13952(8) 0.0154(4) Uani 1 1 d . . .
C23 C 0.73186(15) 0.06886(8) 0.13804(8) 0.0181(4) Uani 1 1 d . . .
C24 C 0.72896(16) 0.02645(9) 0.10664(8) 0.0195(5) Uani 1 1 d . . .
H24 H 0.6761 0.0047 0.1053 0.023 Uiso 1 1 calc R . .
C25 C 0.80044(17) 0.01500(8) 0.07735(8) 0.0194(5) Uani 1 1 d . . .
C26 C 0.87865(16) 0.04599(8) 0.08082(8) 0.0178(4) Uani 1 1 d . . .
H26 H 0.9289 0.0377 0.0617 0.021 Uiso 1 1 calc R . .
C27 C 0.88571(15) 0.08898(8) 0.11158(8) 0.0155(4) Uani 1 1 d . . .
C28 C 0.97411(15) 0.12033(8) 0.11544(8) 0.0174(4) Uani 1 1 d . . .
H28 H 0.9580 0.1592 0.1185 0.021 Uiso 1 1 calc R . .
C29 C 1.03623(16) 0.11488(9) 0.07366(9) 0.0221(5) Uani 1 1 d . . .
H29A H 1.0016 0.1219 0.0455 0.033 Uiso 1 1 calc R . .
H29B H 1.0610 0.0784 0.0725 0.033 Uiso 1 1 calc R . .
H29C H 1.0859 0.1408 0.0761 0.033 Uiso 1 1 calc R . .
C30 C 1.02703(16) 0.10426(9) 0.15883(9) 0.0224(5) Uani 1 1 d . . .
H30A H 1.0435 0.0662 0.1570 0.034 Uiso 1 1 calc R . .
H30B H 0.9892 0.1103 0.1861 0.034 Uiso 1 1 calc R . .
H30C H 1.0821 0.1260 0.1611 0.034 Uiso 1 1 calc R . .
C31 C 0.79329(18) -0.02965(9) 0.04185(9) 0.0251(5) Uani 1 1 d . . .
H31 H 0.7354 -0.0494 0.0476 0.030 Uiso 1 1 calc R . .
C32 C 0.8707(2) -0.07007(10) 0.04507(9) 0.0319(6) Uani 1 1 d . . .
H32A H 0.8609 -0.0990 0.0228 0.048 Uiso 1 1 calc R . .
H32B H 0.8728 -0.0852 0.0762 0.048 Uiso 1 1 calc R . .
H32C H 0.9282 -0.0520 0.0383 0.048 Uiso 1 1 calc R . .
C33 C 0.7886(2) -0.00606(11) -0.00673(9) 0.0352(7) Uani 1 1 d . . .
H33A H 0.8457 0.0122 -0.0138 0.053 Uiso 1 1 calc R . .
H33B H 0.7385 0.0197 -0.0085 0.053 Uiso 1 1 calc R . .
H33C H 0.7786 -0.0350 -0.0290 0.053 Uiso 1 1 calc R . .
C34 C 0.65294(16) 0.07746(9) 0.17117(9) 0.0215(5) Uani 1 1 d . . .
H34 H 0.6542 0.1158 0.1812 0.026 Uiso 1 1 calc R . .
C35 C 0.66479(18) 0.04235(10) 0.21417(9) 0.0285(6) Uani 1 1 d . . .
H35A H 0.6616 0.0044 0.2055 0.043 Uiso 1 1 calc R . .
H35B H 0.6166 0.0505 0.2363 0.043 Uiso 1 1 calc R . .
H35C H 0.7238 0.0498 0.2282 0.043 Uiso 1 1 calc R . .
C36 C 0.55953(17) 0.06650(10) 0.15027(10) 0.0299(6) Uani 1 1 d . . .
H36A H 0.5529 0.0870 0.1217 0.045 Uiso 1 1 calc R . .
H36B H 0.5124 0.0774 0.1721 0.045 Uiso 1 1 calc R . .
H36C H 0.5535 0.0281 0.1437 0.045 Uiso 1 1 calc R . .
C37 C 0.84494(15) 0.19117(8) 0.03182(8) 0.0161(4) Uani 1 1 d . . .
C38 C 0.92126(15) 0.22312(8) 0.02258(8) 0.0166(4) Uani 1 1 d . . .
C39 C 0.97213(16) 0.21332(9) -0.01710(8) 0.0197(5) Uani 1 1 d . . .
H39 H 1.0225 0.2356 -0.0242 0.024 Uiso 1 1 calc R . .
C40 C 0.94937(17) 0.17125(9) -0.04605(8) 0.0211(5) Uani 1 1 d . . .
H40 H 0.9846 0.1645 -0.0728 0.025 Uiso 1 1 calc R . .
C41 C 0.87532(17) 0.13882(9) -0.03623(8) 0.0219(5) Uani 1 1 d . . .
H41 H 0.8609 0.1096 -0.0560 0.026 Uiso 1 1 calc R . .
C42 C 0.82224(16) 0.14886(9) 0.00233(8) 0.0194(5) Uani 1 1 d . . .
H42 H 0.7708 0.1271 0.0086 0.023 Uiso 1 1 calc R . .
C43 C 1.06373(15) 0.25991(8) 0.08322(8) 0.0184(4) Uani 1 1 d . . .
C44 C 1.07798(17) 0.24308(9) 0.12849(8) 0.0223(5) Uani 1 1 d . . .
H44 H 1.0285 0.2418 0.1493 0.027 Uiso 1 1 calc R . .
C45 C 1.16386(18) 0.22818(10) 0.14328(9) 0.0277(6) Uani 1 1 d . . .
H45 H 1.1724 0.2160 0.1739 0.033 Uiso 1 1 calc R . .
C46 C 1.23680(18) 0.23100(10) 0.11365(10) 0.0281(6) Uani 1 1 d . . .
H46 H 1.2954 0.2207 0.1238 0.034 Uiso 1 1 calc R . .
C47 C 1.22416(17) 0.24898(10) 0.06895(9) 0.0254(5) Uani 1 1 d . . .
H47 H 1.2744 0.2516 0.0487 0.031 Uiso 1 1 calc R . .
C48 C 1.13842(16) 0.26314(9) 0.05377(9) 0.0219(5) Uani 1 1 d . . .
H48 H 1.1303 0.2752 0.0230 0.026 Uiso 1 1 calc R . .
C49 C 0.95981(17) 0.33525(9) 0.03058(8) 0.0210(5) Uani 1 1 d . . .
C50 C 0.89797(19) 0.34524(9) -0.00455(9) 0.0279(6) Uani 1 1 d . . .
H50 H 0.8516 0.3199 -0.0110 0.033 Uiso 1 1 calc R . .
C51 C 0.9039(2) 0.39238(10) -0.03028(10) 0.0367(7) Uani 1 1 d . . .
H51 H 0.8619 0.3988 -0.0544 0.044 Uiso 1 1 calc R . .
C52 C 0.9700(2) 0.42961(10) -0.02087(11) 0.0387(7) Uani 1 1 d . . .
H52 H 0.9740 0.4615 -0.0386 0.046 Uiso 1 1 calc R . .
C53 C 1.0306(2) 0.42058(10) 0.01443(11) 0.0366(7) Uani 1 1 d . . .
H53 H 1.0758 0.4466 0.0212 0.044 Uiso 1 1 calc R . .
C54 C 1.02571(18) 0.37355(9) 0.04011(10) 0.0276(6) Uani 1 1 d . . .
H54 H 1.0677 0.3676 0.0643 0.033 Uiso 1 1 calc R . .
C72 C 0.1794(4) 0.36173(16) 0.19289(15) 0.0840(16) Uani 1 1 d U . .
H72A H 0.1434 0.3862 0.2101 0.101 Uiso 1 1 calc R . .
H72B H 0.1890 0.3263 0.2040 0.101 Uiso 1 1 calc R . .
C73 C 0.2155(6) 0.3767(2) 0.1542(2) 0.147(3) Uani 1 1 d U . .
H73 H 0.2507 0.3504 0.1387 0.177 Uiso 1 1 calc R . .
C74 C 0.2089(3) 0.42923(13) 0.13115(13) 0.0618(11) Uani 1 1 d U . .
H74A H 0.1512 0.4298 0.1138 0.074 Uiso 1 1 calc R . .
H74B H 0.2584 0.4312 0.1082 0.074 Uiso 1 1 calc R . .
C75 C 0.2128(3) 0.47886(15) 0.15917(15) 0.0648(11) Uani 1 1 d U . .
H75A H 0.1646 0.4767 0.1828 0.078 Uiso 1 1 calc R . .
H75B H 0.2716 0.4793 0.1756 0.078 Uiso 1 1 calc R . .
C76 C 0.2032(4) 0.52915(14) 0.13535(14) 0.0735(14) Uani 1 1 d U . .
H76A H 0.1440 0.5281 0.1193 0.088 Uiso 1 1 calc R . .
H76B H 0.2504 0.5301 0.1112 0.088 Uiso 1 1 calc R . .
C77 C 0.2078(3) 0.58087(14) 0.16006(16) 0.0644(11) Uani 1 1 d U . .
H77A H 0.2097 0.6104 0.1378 0.097 Uiso 1 1 calc R . .
H77B H 0.2625 0.5818 0.1791 0.097 Uiso 1 1 calc R . .
H77C H 0.1543 0.5848 0.1797 0.097 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 2.129(2) . ?
Sn1 C1 2.137(2) . ?
Sn1 Cl1 2.3459(5) . ?
Sn1 Cl2 2.3590(6) . ?
P1 C43 1.831(2) . ?
P1 C49 1.832(2) . ?
P1 C38 1.834(2) . ?
C1 C2 1.412(3) . ?
C1 C6 1.413(3) . ?
C2 C3 1.394(3) . ?
C2 C22 1.509(3) . ?
C3 C4 1.384(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.502(3) . ?
C7 C15 1.407(3) . ?
C7 C8 1.409(3) . ?
C8 C9 1.391(3) . ?
C8 C19 1.518(3) . ?
C9 C10 1.390(3) . ?
C9 H9 0.9500 . ?
C10 C14 1.394(3) . ?
C10 C11 1.520(3) . ?
C11 C13 1.523(4) . ?
C11 C12 1.532(3) . ?
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 1.402(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.524(3) . ?
C16 C17 1.529(3) . ?
C16 C18 1.529(3) . ?
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 1.530(3) . ?
C19 C20 1.534(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 C27 1.411(3) . ?
C22 C23 1.417(3) . ?
C23 C24 1.397(3) . ?
C23 C34 1.527(3) . ?
C24 C25 1.385(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.392(3) . ?
C25 C31 1.521(3) . ?
C26 C27 1.399(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.525(3) . ?
C28 C29 1.528(3) . ?
C28 C30 1.537(3) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.526(4) . ?
C31 C33 1.531(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 1.531(3) . ?
C34 C35 1.536(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C42 1.399(3) . ?
C37 C38 1.405(3) . ?
C38 C39 1.398(3) . ?
C39 C40 1.385(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.390(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.397(3) . ?
C43 C48 1.398(3) . ?
C44 C45 1.389(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.381(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.387(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.386(3) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.390(3) . ?
C49 C50 1.392(4) . ?
C50 C51 1.395(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.374(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.391(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C72 C73 1.300(7) . ?
C72 H72A 0.9500 . ?
C72 H72B 0.9500 . ?
C73 C74 1.473(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.482(5) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.439(5) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.477(5) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 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 127.39(8) . . ?
C37 Sn1 Cl1 104.02(6) . . ?
C1 Sn1 Cl1 116.25(6) . . ?
C37 Sn1 Cl2 101.54(6) . . ?
C1 Sn1 Cl2 105.96(6) . . ?
Cl1 Sn1 Cl2 96.24(2) . . ?
C43 P1 C49 102.98(11) . . ?
C43 P1 C38 104.23(10) . . ?
C49 P1 C38 102.53(11) . . ?
C2 C1 C6 120.4(2) . . ?
C2 C1 Sn1 117.54(16) . . ?
C6 C1 Sn1 122.07(15) . . ?
C3 C2 C1 118.8(2) . . ?
C3 C2 C22 119.10(19) . . ?
C1 C2 C22 121.7(2) . . ?
C4 C3 C2 120.9(2) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 120.1(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 121.1(2) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 118.40(19) . . ?
C5 C6 C7 117.17(19) . . ?
C1 C6 C7 124.0(2) . . ?
C15 C7 C8 119.96(19) . . ?
C15 C7 C6 118.54(18) . . ?
C8 C7 C6 121.29(19) . . ?
C9 C8 C7 118.9(2) . . ?
C9 C8 C19 119.49(19) . . ?
C7 C8 C19 121.62(19) . . ?
C10 C9 C8 122.5(2) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C14 117.9(2) . . ?
C9 C10 C11 119.1(2) . . ?
C14 C10 C11 123.0(2) . . ?
C10 C11 C13 113.77(19) . . ?
C10 C11 C12 110.5(2) . . ?
C13 C11 C12 110.5(2) . . ?
C10 C11 H11 107.3 . . ?
C13 C11 H11 107.3 . . ?
C12 C11 H11 107.3 . . ?
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 121.9(2) . . ?
C10 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C14 C15 C7 118.94(19) . . ?
C14 C15 C16 119.63(19) . . ?
C7 C15 C16 121.38(19) . . ?
C15 C16 C17 113.78(18) . . ?
C15 C16 C18 110.58(19) . . ?
C17 C16 C18 110.57(19) . . ?
C15 C16 H16 107.2 . . ?
C17 C16 H16 107.2 . . ?
C18 C16 H16 107.2 . . ?
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 112.2(2) . . ?
C8 C19 C20 110.8(2) . . ?
C21 C19 C20 110.0(2) . . ?
C8 C19 H19 107.9 . . ?
C21 C19 H19 107.9 . . ?
C20 C19 H19 107.9 . . ?
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 . . ?
C27 C22 C23 120.03(19) . . ?
C27 C22 C2 121.94(19) . . ?
C23 C22 C2 118.0(2) . . ?
C24 C23 C22 118.6(2) . . ?
C24 C23 C34 119.7(2) . . ?
C22 C23 C34 121.7(2) . . ?
C25 C24 C23 122.3(2) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C24 C25 C26 118.2(2) . . ?
C24 C25 C31 121.0(2) . . ?
C26 C25 C31 120.8(2) . . ?
C25 C26 C27 122.2(2) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C26 C27 C22 118.6(2) . . ?
C26 C27 C28 120.2(2) . . ?
C22 C27 C28 121.22(19) . . ?
C27 C28 C29 114.17(19) . . ?
C27 C28 C30 111.22(18) . . ?
C29 C28 C30 108.92(19) . . ?
C27 C28 H28 107.4 . . ?
C29 C28 H28 107.4 . . ?
C30 C28 H28 107.4 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C31 C32 112.9(2) . . ?
C25 C31 C33 110.39(19) . . ?
C32 C31 C33 110.1(2) . . ?
C25 C31 H31 107.8 . . ?
C32 C31 H31 107.8 . . ?
C33 C31 H31 107.8 . . ?
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 . . ?
C23 C34 C36 114.3(2) . . ?
C23 C34 C35 110.29(19) . . ?
C36 C34 C35 108.9(2) . . ?
C23 C34 H34 107.7 . . ?
C36 C34 H34 107.7 . . ?
C35 C34 H34 107.7 . . ?
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 . . ?
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 . . ?
C42 C37 C38 120.1(2) . . ?
C42 C37 Sn1 121.37(17) . . ?
C38 C37 Sn1 118.27(16) . . ?
C39 C38 C37 119.3(2) . . ?
C39 C38 P1 125.03(17) . . ?
C37 C38 P1 115.65(17) . . ?
C40 C39 C38 120.2(2) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.4(2) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C40 C41 C42 120.3(2) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 119.6(2) . . ?
C41 C42 H42 120.2 . . ?
C37 C42 H42 120.2 . . ?
C44 C43 C48 118.4(2) . . ?
C44 C43 P1 117.61(18) . . ?
C48 C43 P1 123.98(18) . . ?
C45 C44 C43 120.6(2) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C46 C45 C44 120.3(2) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47 119.7(2) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C48 C47 C46 120.2(2) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C43 120.7(2) . . ?
C47 C48 H48 119.7 . . ?
C43 C48 H48 119.7 . . ?
C54 C49 C50 118.8(2) . . ?
C54 C49 P1 121.7(2) . . ?
C50 C49 P1 119.30(18) . . ?
C49 C50 C51 120.2(3) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C52 C51 C50 120.4(3) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 119.9(2) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 120.2(3) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C49 C54 C53 120.5(3) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C73 C72 H72A 120.0 . . ?
C73 C72 H72B 120.0 . . ?
H72A C72 H72B 120.0 . . ?
C72 C73 C74 128.4(6) . . ?
C72 C73 H73 115.8 . . ?
C74 C73 H73 115.8 . . ?
C73 C74 C75 119.3(4) . . ?
C73 C74 H74A 107.5 . . ?
C75 C74 H74A 107.5 . . ?
C73 C74 H74B 107.5 . . ?
C75 C74 H74B 107.5 . . ?
H74A C74 H74B 107.0 . . ?
C76 C75 C74 117.3(4) . . ?
C76 C75 H75A 108.0 . . ?
C74 C75 H75A 108.0 . . ?
C76 C75 H75B 108.0 . . ?
C74 C75 H75B 108.0 . . ?
H75A C75 H75B 107.2 . . ?
C75 C76 C77 121.4(4) . . ?
C75 C76 H76A 107.0 . . ?
C77 C76 H76A 107.0 . . ?
C75 C76 H76B 107.0 . . ?
C77 C76 H76B 107.0 . . ?
H76A C76 H76B 106.7 . . ?
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 . . ?

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 C1 C2 -44.9(2) . . . . ?
Cl1 Sn1 C1 C2 179.28(14) . . . . ?
Cl2 Sn1 C1 C2 73.79(17) . . . . ?
C37 Sn1 C1 C6 135.13(17) . . . . ?
Cl1 Sn1 C1 C6 -0.67(19) . . . . ?
Cl2 Sn1 C1 C6 -106.16(17) . . . . ?
C6 C1 C2 C3 -5.0(3) . . . . ?
Sn1 C1 C2 C3 175.01(16) . . . . ?
C6 C1 C2 C22 167.9(2) . . . . ?
Sn1 C1 C2 C22 -12.0(3) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C22 C2 C3 C4 -172.1(2) . . . . ?
C2 C3 C4 C5 2.5(3) . . . . ?
C3 C4 C5 C6 -2.1(3) . . . . ?
C4 C5 C6 C1 -1.9(3) . . . . ?
C4 C5 C6 C7 171.0(2) . . . . ?
C2 C1 C6 C5 5.4(3) . . . . ?
Sn1 C1 C6 C5 -174.61(16) . . . . ?
C2 C1 C6 C7 -167.0(2) . . . . ?
Sn1 C1 C6 C7 13.0(3) . . . . ?
C5 C6 C7 C15 -94.7(2) . . . . ?
C1 C6 C7 C15 77.8(3) . . . . ?
C5 C6 C7 C8 80.0(3) . . . . ?
C1 C6 C7 C8 -107.5(3) . . . . ?
C15 C7 C8 C9 0.9(3) . . . . ?
C6 C7 C8 C9 -173.7(2) . . . . ?
C15 C7 C8 C19 -178.8(2) . . . . ?
C6 C7 C8 C19 6.5(3) . . . . ?
C7 C8 C9 C10 0.4(3) . . . . ?
C19 C8 C9 C10 -179.9(2) . . . . ?
C8 C9 C10 C14 -1.3(4) . . . . ?
C8 C9 C10 C11 177.6(2) . . . . ?
C9 C10 C11 C13 159.7(2) . . . . ?
C14 C10 C11 C13 -21.3(3) . . . . ?
C9 C10 C11 C12 -75.3(3) . . . . ?
C14 C10 C11 C12 103.6(3) . . . . ?
C9 C10 C14 C15 1.0(3) . . . . ?
C11 C10 C14 C15 -177.9(2) . . . . ?
C10 C14 C15 C7 0.2(3) . . . . ?
C10 C14 C15 C16 177.8(2) . . . . ?
C8 C7 C15 C14 -1.2(3) . . . . ?
C6 C7 C15 C14 173.6(2) . . . . ?
C8 C7 C15 C16 -178.7(2) . . . . ?
C6 C7 C15 C16 -3.9(3) . . . . ?
C14 C15 C16 C17 35.7(3) . . . . ?
C7 C15 C16 C17 -146.8(2) . . . . ?
C14 C15 C16 C18 -89.4(3) . . . . ?
C7 C15 C16 C18 88.1(3) . . . . ?
C9 C8 C19 C21 -43.6(3) . . . . ?
C7 C8 C19 C21 136.1(2) . . . . ?
C9 C8 C19 C20 79.8(3) . . . . ?
C7 C8 C19 C20 -100.4(2) . . . . ?
C3 C2 C22 C27 -96.0(3) . . . . ?
C1 C2 C22 C27 91.0(3) . . . . ?
C3 C2 C22 C23 82.4(3) . . . . ?
C1 C2 C22 C23 -90.6(3) . . . . ?
C27 C22 C23 C24 -3.7(3) . . . . ?
C2 C22 C23 C24 177.9(2) . . . . ?
C27 C22 C23 C34 173.6(2) . . . . ?
C2 C22 C23 C34 -4.9(3) . . . . ?
C22 C23 C24 C25 0.6(3) . . . . ?
C34 C23 C24 C25 -176.7(2) . . . . ?
C23 C24 C25 C26 2.3(3) . . . . ?
C23 C24 C25 C31 -176.8(2) . . . . ?
C24 C25 C26 C27 -2.2(3) . . . . ?
C31 C25 C26 C27 176.9(2) . . . . ?
C25 C26 C27 C22 -0.7(3) . . . . ?
C25 C26 C27 C28 177.6(2) . . . . ?
C23 C22 C27 C26 3.7(3) . . . . ?
C2 C22 C27 C26 -177.9(2) . . . . ?
C23 C22 C27 C28 -174.6(2) . . . . ?
C2 C22 C27 C28 3.8(3) . . . . ?
C26 C27 C28 C29 20.8(3) . . . . ?
C22 C27 C28 C29 -160.9(2) . . . . ?
C26 C27 C28 C30 -103.0(2) . . . . ?
C22 C27 C28 C30 75.3(3) . . . . ?
C24 C25 C31 C32 -126.4(2) . . . . ?
C26 C25 C31 C32 54.6(3) . . . . ?
C24 C25 C31 C33 109.9(3) . . . . ?
C26 C25 C31 C33 -69.1(3) . . . . ?
C24 C23 C34 C36 -37.8(3) . . . . ?
C22 C23 C34 C36 145.0(2) . . . . ?
C24 C23 C34 C35 85.3(3) . . . . ?
C22 C23 C34 C35 -91.9(2) . . . . ?
C1 Sn1 C37 C42 106.82(19) . . . . ?
Cl1 Sn1 C37 C42 -113.30(17) . . . . ?
Cl2 Sn1 C37 C42 -13.79(19) . . . . ?
C1 Sn1 C37 C38 -79.12(19) . . . . ?
Cl1 Sn1 C37 C38 60.75(17) . . . . ?
Cl2 Sn1 C37 C38 160.27(16) . . . . ?
C42 C37 C38 C39 2.2(3) . . . . ?
Sn1 C37 C38 C39 -171.94(16) . . . . ?
C42 C37 C38 P1 -176.57(17) . . . . ?
Sn1 C37 C38 P1 9.3(2) . . . . ?
C43 P1 C38 C39 -55.4(2) . . . . ?
C49 P1 C38 C39 51.7(2) . . . . ?
C43 P1 C38 C37 123.33(17) . . . . ?
C49 P1 C38 C37 -129.59(17) . . . . ?
C37 C38 C39 C40 -2.4(3) . . . . ?
P1 C38 C39 C40 176.25(18) . . . . ?
C38 C39 C40 C41 0.7(4) . . . . ?
C39 C40 C41 C42 1.2(4) . . . . ?
C40 C41 C42 C37 -1.4(3) . . . . ?
C38 C37 C42 C41 -0.3(3) . . . . ?
Sn1 C37 C42 C41 173.63(17) . . . . ?
C49 P1 C43 C44 139.12(17) . . . . ?
C38 P1 C43 C44 -114.13(18) . . . . ?
C49 P1 C43 C48 -42.6(2) . . . . ?
C38 P1 C43 C48 64.1(2) . . . . ?
C48 C43 C44 C45 -2.2(3) . . . . ?
P1 C43 C44 C45 176.15(18) . . . . ?
C43 C44 C45 C46 1.5(4) . . . . ?
C44 C45 C46 C47 0.2(4) . . . . ?
C45 C46 C47 C48 -1.2(4) . . . . ?
C46 C47 C48 C43 0.5(4) . . . . ?
C44 C43 C48 C47 1.2(3) . . . . ?
P1 C43 C48 C47 -177.01(18) . . . . ?
C43 P1 C49 C54 -33.3(2) . . . . ?
C38 P1 C49 C54 -141.3(2) . . . . ?
C43 P1 C49 C50 151.4(2) . . . . ?
C38 P1 C49 C50 43.3(2) . . . . ?
C54 C49 C50 C51 1.5(4) . . . . ?
P1 C49 C50 C51 177.0(2) . . . . ?
C49 C50 C51 C52 -0.7(4) . . . . ?
C50 C51 C52 C53 -0.5(4) . . . . ?
C51 C52 C53 C54 0.9(4) . . . . ?
C50 C49 C54 C53 -1.1(4) . . . . ?
P1 C49 C54 C53 -176.46(19) . . . . ?
C52 C53 C54 C49 -0.1(4) . . . . ?
C72 C73 C74 C75 39.9(11) . . . . ?
C73 C74 C75 C76 -178.1(6) . . . . ?
C74 C75 C76 C77 -178.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.28
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.431
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.076
