# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_compound
_audit_creation_date             2014-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.18 svn.r2945 for OlexSys, GUI svn.r4846)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C64 H112 B4 P4 Sn2), 3(C7 H8)'
_chemical_formula_sum            'C149 H248 B8 P8 Sn4'
_chemical_formula_weight         2848.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C32 H56 B2 P2 Sn'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.08850(10)
_cell_length_b                   26.5770(2)
_cell_length_c                   20.0509(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.2730(10)
_cell_angle_gamma                90
_cell_volume                     7475.89(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    52081
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      28.5874
_cell_measurement_theta_min      2.8362
_shelx_estimated_absorpt_T_max   0.925
_shelx_estimated_absorpt_T_min   0.797
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3004
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.916
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            108054
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.916
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.650
_diffrn_reflns_theta_min         2.842
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0053472000
_diffrn_orient_matrix_UB_12      0.0154522000
_diffrn_orient_matrix_UB_13      0.0282445000
_diffrn_orient_matrix_UB_21      -0.0150412000
_diffrn_orient_matrix_UB_22      -0.0212034000
_diffrn_orient_matrix_UB_23      0.0177799000
_diffrn_orient_matrix_UB_31      0.0479721000
_diffrn_orient_matrix_UB_32      -0.0049013000
_diffrn_orient_matrix_UB_33      0.0121699000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14915
_reflns_number_total             17595
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     769
_refine_ls_number_reflns         17595
_refine_ls_number_restraints     782
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0193P)²+6.3464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0604
_refine_special_details          
'Disorder in toluene solvent molecules required moderate use of constraints and restraints to maintain physically sensible model.'
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C1T(0.5) H1TA(0.5) H1TB(0.5) H1TC(0.5) C2T(0.5) C7T(0.5) H7T(0.5)
 C6T(0.5) H6T(0.5) C5T(0.5) H5T(0.5) C4T(0.5) H4T(0.5) C3T(0.5) H3T(0.5)
 C8T(0.622) H8TA(0.622) H8TB(0.622) H8TC(0.622) C9T(0.622) C10T(0.622)
 H10T(0.622) C11T(0.622) H11T(0.622) C12T(0.622) H12T(0.622) C20T(0.622)
 H20T(0.622) C21T(0.622) H21T(0.622) C14T(0.378) H14C(0.378) H14D(0.378)
 H14E(0.378) C15T(0.378) C13T(0.378) H13T(0.378) C19T(0.378) H19T(0.378)
 C18T(0.378) H18T(0.378) C17T(0.378) H17T(0.378) C16T(0.378) H16T(0.378)
 Fixed Uiso: H1(0.018) H3(0.024) H4(0.029) H5(0.028) H6(0.023) H8(0.016)
 H9(0.025) H10A(0.034) H10B(0.034) H11A(0.048) H11B(0.048) H12A(0.06)
 H12B(0.06) H13A(0.05) H13B(0.05) H14A(0.038) H14B(0.038) H15(0.023)
 H16A(0.027) H16B(0.027) H17A(0.033) H17B(0.033) H18A(0.042) H18B(0.042)
 H19A(0.039) H19B(0.039) H20A(0.029) H20B(0.029) H21(0.022) H22A(0.028)
 H22B(0.028) H23A(0.036) H23B(0.036) H24A(0.039) H24B(0.039) H25A(0.037)
 H25B(0.037) H26A(0.029) H26B(0.029) H27(0.022) H28A(0.028) H28B(0.028)
 H29A(0.036) H29B(0.036) H30A(0.038) H30B(0.038) H31A(0.033) H31B(0.033)
 H32A(0.025) H32B(0.025) H33(0.017) H35(0.024) H36(0.03) H37(0.029) H38(0.024)
 H40(0.018) H41(0.025) H42A(0.034) H42B(0.034) H43A(0.039) H43B(0.039)
 H44A(0.047) H44B(0.047) H45A(0.043) H45B(0.043) H46A(0.031) H46B(0.031)
 H47(0.022) H48A(0.026) H48B(0.026) H49A(0.035) H49B(0.035) H50A(0.04)
 H50B(0.04) H51A(0.038) H51B(0.038) H52A(0.032) H52B(0.032) H53(0.021)
 H54A(0.024) H54B(0.024) H55A(0.03) H55B(0.03) H56A(0.037) H56B(0.037)
 H57A(0.036) H57B(0.036) H58A(0.031) H58B(0.031) H59(0.023) H60A(0.031)
 H60B(0.031) H61A(0.04) H61B(0.04) H62A(0.04) H62B(0.04) H63A(0.037)
 H63B(0.037) H64A(0.028) H64B(0.028) H1A(0.035) H1B(0.035) H1C(0.035)
 H2A(0.031) H2B(0.031) H2C(0.031) H3A(0.037) H3B(0.037) H3C(0.037) H4A(0.035)
 H4B(0.035) H4C(0.035) H1TA(0.101) H1TB(0.101) H1TC(0.101) H7T(0.056)
 H6T(0.056) H5T(0.056) H4T(0.056) H3T(0.056) H8TA(0.15) H8TB(0.15) H8TC(0.15)
 H10T(0.114) H11T(0.114) H12T(0.114) H20T(0.114) H21T(0.114) H14C(0.15)
 H14D(0.15) H14E(0.15) H13T(0.114) H19T(0.114) H18T(0.114) H17T(0.114)
 H16T(0.114)
 Fixed X: H3(0.1071) H4(0.2336) H5(0.3225) H6(0.2846) H9(0.1079) H10A(0.2393)
 H10B(0.2403) H11A(0.3588) H11B(0.2832) H12A(0.2843) H12B(0.3093) H13A(0.1517)
 H13B(0.1519) H14A(0.0321) H14B(0.108) H15(-0.077) H16A(-0.0664) H16B(-0.1156)
 H17A(-0.2054) H17B(-0.2331) H18A(-0.3435) H18B(-0.2929) H19A(-0.2928) H19B(-
 0.2439) H20A(-0.1528) H20B(-0.1264) H21(0.3364) H22A(0.1997) H22B(0.1877)
 H23A(0.2462) H23B(0.3223) H24A(0.4031) H24B(0.3334) H25A(0.4693) H25B(0.4765)
 H26A(0.4208) H26B(0.3434) H27(0.2789) H28A(0.2951) H28B(0.3911) H29A(0.365)
 H29B(0.4328) H30A(0.5219) H30B(0.5379) H31A(0.5128) H31B(0.4154) H32A(0.4451)
 H32B(0.3797) H35(-0.2601) H36(-0.3877) H37(-0.3887) H38(-0.2671) H41(-0.165)
 H42A(-0.2745) H42B(-0.3237) H43A(-0.4111) H43B(-0.3169) H44A(-0.406) H44B(-
 0.4094) H45A(-0.2422) H45B(-0.2937) H46A(-0.1547) H46B(-0.2483) H47(0.0569)
 H48A(0.0344) H48B(-0.0124) H49A(0.1823) H49B(0.1482) H50A(0.2054) H50B(0.0961)
 H51A(0.1154) H51B(0.1606) H52A(-0.0335) H52B(-0.0005) H53(-0.1824) H54A(-
 0.3496) H54B(-0.2919) H55A(-0.4317) H55B(-0.3382) H56A(-0.4433) H56B(-0.4409)
 H57A(-0.2785) H57B(-0.3354) H58A(-0.1942) H58B(-0.2869) H59(-0.0651)
 H60A(0.0457) H60B(-0.0182) H61A(0.0773) H61B(0.1455) H62A(0.2086) H62B(0.1931)
 H63A(0.1354) H63B(0.0704) H64A(0.0407) H64B(-0.0271) H1TA(0.4897) H1TB(0.4181)
 H1TC(0.5296) H7T(0.6298) H6T(0.6529) H5T(0.5318) H4T(0.3878) H3T(0.3647)
 H8TA(0.3669) H8TB(0.4571) H8TC(0.43) H10T(0.5067) H11T(0.6082) H12T(0.6512)
 H20T(0.5928) H21T(0.4914) H14C(0.6172) H14D(0.5306) H14E(0.5292) H13T(0.4549)
 H19T(0.3721) H18T(0.3672) H17T(0.4452) H16T(0.528)
 Fixed Y: H3(0.9755) H4(1.0016) H5(0.9425) H6(0.8577) H9(0.9717) H10A(0.8999)
 H10B(0.9184) H11A(0.9614) H11B(1.0003) H12A(0.9648) H12B(1.021) H13A(1.0346)
 H13B(1.0162) H14A(0.9736) H14B(0.9343) H15(0.9091) H16A(0.984) H16B(0.956)
 H17A(0.9737) H17B(1.0016) H18A(0.936) H18B(0.9267) H19A(0.8509) H19B(0.8773)
 H20A(0.8615) H20B(0.8323) H21(0.762) H22A(0.6814) H22B(0.7332) H23A(0.6692)
 H23B(0.7139) H24A(0.6371) H24B(0.62) H25A(0.7004) H25B(0.6482) H26A(0.7138)
 H26B(0.6697) H27(0.8276) H28A(0.7546) H28B(0.7403) H29A(0.828) H29B(0.7815)
 H30A(0.8515) H30B(0.8026) H31A(0.8714) H31B(0.885) H32A(0.7961) H32B(0.8427)
 H35(0.8505) H36(0.8308) H37(0.755) H38(0.6972) H41(0.8448) H42A(0.9007)
 H42B(0.8544) H43A(0.8721) H43B(0.8662) H44A(0.792) H44B(0.7865) H45A(0.7761)
 H45B(0.7313) H46A(0.7597) H46B(0.7664) H47(0.8579) H48A(0.7755) H48B(0.7965)
 H49A(0.8116) H49B(0.7771) H50A(0.8563) H50B(0.8483) H51A(0.93) H51B(0.9082)
 H52A(0.8939) H52B(0.9289) H53(0.6277) H54A(0.6489) H54B(0.6893) H55A(0.6627)
 H55B(0.6494) H56A(0.5788) H56B(0.5793) H57A(0.5582) H57B(0.5172) H58A(0.5432)
 H58B(0.5553) H59(0.5602) H60A(0.6449) H60B(0.6116) H61A(0.5404) H61B(0.5856)
 H62A(0.5411) H62B(0.5995) H63A(0.5526) H63B(0.5193) H64A(0.6239) H64B(0.579)
 H1TA(0.4559) H1TB(0.4211) H1TC(0.4085) H7T(0.441) H6T(0.4942) H5T(0.5496)
 H4T(0.5516) H3T(0.4984) H8TA(0.4263) H8TB(0.4226) H8TC(0.4752) H10T(0.3526)
 H11T(0.3349) H12T(0.3989) H20T(0.4806) H21T(0.4982) H14C(0.5316) H14D(0.4952)
 H14E(0.5251) H13T(0.5202) H19T(0.5797) H18T(0.6638) H17T(0.6884) H16T(0.6289)
 Fixed Z: H3(0.5473) H4(0.49) H5(0.4353) H6(0.4411) H9(0.658) H10A(0.7224)
 H10B(0.6464) H11A(0.7176) H11B(0.6823) H12A(0.8175) H12B(0.7963) H13A(0.7527)
 H13B(0.8287) H14A(0.7587) H14B(0.793) H15(0.7286) H16A(0.6657) H16B(0.6006)
 H17A(0.7214) H17B(0.6516) H18A(0.6698) H18B(0.6025) H19A(0.6615) H19B(0.7278)
 H20A(0.607) H20B(0.6762) H21(0.46) H22A(0.4493) H22B(0.4084) H23A(0.3401)
 H23B(0.3508) H24A(0.3668) H24B(0.4214) H25A(0.4378) H25B(0.4779) H26A(0.5457)
 H26B(0.5352) H27(0.6217) H28A(0.6888) H28B(0.6561) H29A(0.7359) H29B(0.7582)
 H30A(0.7232) H30B(0.679) H31A(0.6071) H31B(0.6384) H32A(0.5614) H32B(0.5354)
 H35(0.4669) H36(0.5273) H37(0.5855) H38(0.5771) H41(0.2761) H42A(0.3188)
 H42B(0.3537) H43A(0.2501) H43B(0.2117) H44A(0.1974) H44B(0.2767) H45A(0.2067)
 H45B(0.243) H46A(0.31) H46B(0.349) H47(0.3918) H48A(0.3511) H48B(0.2808)
 H49A(0.333) H49B(0.2697) H50A(0.2346) H50B(0.2072) H51A(0.2507) H51B(0.3211)
 H52A(0.2672) H52B(0.3302) H53(0.3886) H54A(0.456) H54B(0.4164) H55A(0.3501)
 H55B(0.3139) H56A(0.3866) H56B(0.3068) H57A(0.3173) H57B(0.3566) H58A(0.4219)
 H58B(0.4596) H59(0.49) H60A(0.4572) H60B(0.4036) H61A(0.4292) H61B(0.4114)
 H62A(0.5087) H62B(0.5242) H63A(0.61) H63B(0.5573) H64A(0.5839) H64B(0.6039)
 H1TA(0.3468) H1TB(0.3838) H1TC(0.39) H7T(0.4714) H6T(0.5644) H5T(0.5894)
 H4T(0.5213) H3T(0.4283) H8TA(0.0531) H8TB(0.0103) H8TC(0.0425) H10T(0.0868)
 H11T(0.183) H12T(0.2601) H20T(0.2409) H21T(0.1447) H14C(0.9149) H14D(0.89)
 H14E(0.9592) H13T(0.8029) H19T(0.734) H18T(0.7681) H17T(0.871) H16T(0.9399)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.00895(2) 0.80764(2) 0.53842(2) 0.01310(3) Uani 1 1 d . . . . .
Sn2 Sn -0.03827(2) 0.72152(2) 0.61017(2) 0.01659(4) Uani 1 1 d . . . . .
P1 P 0.04519(3) 0.88975(2) 0.66267(2) 0.01631(10) Uani 1 1 d . . . . .
P2 P 0.23402(3) 0.76387(2) 0.54628(2) 0.01456(9) Uani 1 1 d . . . . .
P3 P -0.10848(3) 0.85218(2) 0.38888(2) 0.01539(10) Uani 1 1 d . . . . .
P4 P -0.15273(3) 0.63210(2) 0.50632(2) 0.01503(9) Uani 1 1 d . . . . .
C1 C 0.03859(13) 0.88513(7) 0.57093(9) 0.0150(4) Uani 1 1 d . . . . .
H1 H -0.0141(15) 0.9050(8) 0.5547(10) 0.018 Uiso 1 1 d R . . . .
C2 C 0.12429(13) 0.89996(7) 0.53497(9) 0.0160(4) Uani 1 1 d . . . . .
C3 C 0.14502(14) 0.95105(7) 0.52752(9) 0.0196(4) Uani 1 1 d . . . . .
H3 H 0.1071 0.9755 0.5473 0.024 Uiso 1 1 calc R . . . .
C4 C 0.21887(14) 0.96683(7) 0.49230(10) 0.0241(4) Uani 1 1 d . . . . .
H4 H 0.2336 1.0016 0.4900 0.029 Uiso 1 1 calc R . . . .
C5 C 0.27177(14) 0.93186(8) 0.46013(10) 0.0234(4) Uani 1 1 d . . . . .
H5 H 0.3225 0.9425 0.4353 0.028 Uiso 1 1 calc R . . . .
C6 C 0.24984(13) 0.88150(7) 0.46459(9) 0.0191(4) Uani 1 1 d . . . . .
H6 H 0.2846 0.8577 0.4411 0.023 Uiso 1 1 calc R . . . .
C7 C 0.17802(12) 0.86432(7) 0.50260(9) 0.0147(4) Uani 1 1 d . . . . .
C8 C 0.15219(12) 0.80904(7) 0.50280(9) 0.0133(3) Uani 1 1 d . . . . .
H8 H 0.1464(14) 0.7977(7) 0.4581(11) 0.016 Uiso 1 1 d R . . . .
C9 C 0.12070(14) 0.94361(7) 0.69073(9) 0.0211(4) Uani 1 1 d . . . . .
H9 H 0.1079 0.9717 0.6580 0.025 Uiso 1 1 calc R . . . .
C10 C 0.22636(15) 0.92886(8) 0.69189(11) 0.0281(5) Uani 1 1 d . . . . .
H10A H 0.2393 0.8999 0.7224 0.034 Uiso 1 1 calc R . . . .
H10B H 0.2403 0.9184 0.6464 0.034 Uiso 1 1 calc R . . . .
C11 C 0.29148(17) 0.97252(9) 0.71520(13) 0.0403(6) Uani 1 1 d . . . . .
H11A H 0.3588 0.9614 0.7176 0.048 Uiso 1 1 calc R . . . .
H11B H 0.2832 1.0003 0.6823 0.048 Uiso 1 1 calc R . . . .
C12 C 0.2691(2) 0.99138(10) 0.78364(14) 0.0497(7) Uani 1 1 d . . . . .
H12A H 0.2843 0.9648 0.8175 0.060 Uiso 1 1 calc R . . . .
H12B H 0.3093 1.0210 0.7963 0.060 Uiso 1 1 calc R . . . .
C13 C 0.16510(19) 1.00564(9) 0.78310(12) 0.0418(6) Uani 1 1 d . . . . .
H13A H 0.1517 1.0346 0.7527 0.050 Uiso 1 1 calc R . . . .
H13B H 0.1519 1.0162 0.8287 0.050 Uiso 1 1 calc R . . . .
C14 C 0.09920(17) 0.96229(8) 0.76039(10) 0.0316(5) Uani 1 1 d . . . . .
H14A H 0.0321 0.9736 0.7587 0.038 Uiso 1 1 calc R . . . .
H14B H 0.1080 0.9343 0.7930 0.038 Uiso 1 1 calc R . . . .
C15 C -0.07683(14) 0.90644(7) 0.67888(9) 0.0192(4) Uani 1 1 d . . . . .
H15 H -0.0770 0.9091 0.7286 0.023 Uiso 1 1 calc R . . . .
C16 C -0.11208(14) 0.95721(7) 0.65007(10) 0.0228(4) Uani 1 1 d . . . . .
H16A H -0.0664 0.9840 0.6657 0.027 Uiso 1 1 calc R . . . .
H16B H -0.1156 0.9560 0.6006 0.027 Uiso 1 1 calc R . . . .
C17 C -0.21033(15) 0.96948(8) 0.67218(11) 0.0277(5) Uani 1 1 d . . . . .
H17A H -0.2054 0.9737 0.7214 0.033 Uiso 1 1 calc R . . . .
H17B H -0.2331 1.0016 0.6516 0.033 Uiso 1 1 calc R . . . .
C18 C -0.28201(16) 0.92807(9) 0.65195(13) 0.0354(5) Uani 1 1 d . . . . .
H18A H -0.3435 0.9360 0.6698 0.042 Uiso 1 1 calc R . . . .
H18B H -0.2929 0.9267 0.6025 0.042 Uiso 1 1 calc R . . . .
C19 C -0.24698(16) 0.87723(8) 0.67824(12) 0.0325(5) Uani 1 1 d . . . . .
H19A H -0.2928 0.8509 0.6615 0.039 Uiso 1 1 calc R . . . .
H19B H -0.2439 0.8773 0.7278 0.039 Uiso 1 1 calc R . . . .
C20 C -0.14865(14) 0.86485(8) 0.65639(11) 0.0242(4) Uani 1 1 d . . . . .
H20A H -0.1528 0.8615 0.6070 0.029 Uiso 1 1 calc R . . . .
H20B H -0.1264 0.8323 0.6762 0.029 Uiso 1 1 calc R . . . .
C21 C 0.30184(13) 0.73469(7) 0.48220(9) 0.0181(4) Uani 1 1 d . . . . .
H21 H 0.3364 0.7620 0.4600 0.022 Uiso 1 1 calc R . . . .
C22 C 0.23482(14) 0.70859(8) 0.42846(10) 0.0231(4) Uani 1 1 d . . . . .
H22A H 0.1997 0.6814 0.4493 0.028 Uiso 1 1 calc R . . . .
H22B H 0.1877 0.7332 0.4084 0.028 Uiso 1 1 calc R . . . .
C23 C 0.29071(15) 0.68645(9) 0.37366(11) 0.0301(5) Uani 1 1 d . . . . .
H23A H 0.2462 0.6692 0.3401 0.036 Uiso 1 1 calc R . . . .
H23B H 0.3223 0.7139 0.3508 0.036 Uiso 1 1 calc R . . . .
C24 C 0.36537(15) 0.64932(9) 0.40275(12) 0.0327(5) Uani 1 1 d . . . . .
H24A H 0.4031 0.6371 0.3668 0.039 Uiso 1 1 calc R . . . .
H24B H 0.3334 0.6200 0.4214 0.039 Uiso 1 1 calc R . . . .
C25 C 0.43157(15) 0.67374(9) 0.45762(11) 0.0311(5) Uani 1 1 d . . . . .
H25A H 0.4693 0.7004 0.4378 0.037 Uiso 1 1 calc R . . . .
H25B H 0.4765 0.6482 0.4779 0.037 Uiso 1 1 calc R . . . .
C26 C 0.37596(14) 0.69673(8) 0.51213(10) 0.0242(4) Uani 1 1 d . . . . .
H26A H 0.4208 0.7138 0.5457 0.029 Uiso 1 1 calc R . . . .
H26B H 0.3434 0.6697 0.5352 0.029 Uiso 1 1 calc R . . . .
C27 C 0.31666(13) 0.79893(7) 0.60569(9) 0.0181(4) Uani 1 1 d . . . . .
H27 H 0.2789 0.8276 0.6217 0.022 Uiso 1 1 calc R . . . .
C28 C 0.35079(14) 0.76864(8) 0.66859(10) 0.0236(4) Uani 1 1 d . . . . .
H28A H 0.2951 0.7546 0.6888 0.028 Uiso 1 1 calc R . . . .
H28B H 0.3911 0.7403 0.6561 0.028 Uiso 1 1 calc R . . . .
C29 C 0.40776(15) 0.80215(9) 0.71944(10) 0.0302(5) Uani 1 1 d . . . . .
H29A H 0.3650 0.8280 0.7359 0.036 Uiso 1 1 calc R . . . .
H29B H 0.4328 0.7815 0.7582 0.036 Uiso 1 1 calc R . . . .
C30 C 0.49040(15) 0.82808(9) 0.68972(11) 0.0313(5) Uani 1 1 d . . . . .
H30A H 0.5219 0.8515 0.7232 0.038 Uiso 1 1 calc R . . . .
H30B H 0.5379 0.8026 0.6790 0.038 Uiso 1 1 calc R . . . .
C31 C 0.45701(14) 0.85691(8) 0.62680(11) 0.0271(5) Uani 1 1 d . . . . .
H31A H 0.5128 0.8714 0.6071 0.033 Uiso 1 1 calc R . . . .
H31B H 0.4154 0.8850 0.6384 0.033 Uiso 1 1 calc R . . . .
C32 C 0.40231(13) 0.82284(8) 0.57547(10) 0.0209(4) Uani 1 1 d . . . . .
H32A H 0.4451 0.7961 0.5614 0.025 Uiso 1 1 calc R . . . .
H32B H 0.3797 0.8427 0.5354 0.025 Uiso 1 1 calc R . . . .
C33 C -0.09935(13) 0.80066(6) 0.44906(9) 0.0140(3) Uani 1 1 d . . . . .
H33 H -0.0734(14) 0.7730(8) 0.4262(10) 0.017 Uiso 1 1 d R . . . .
C34 C -0.18654(13) 0.78530(7) 0.48225(9) 0.0153(4) Uani 1 1 d . . . . .
C35 C -0.26124(13) 0.81877(7) 0.48859(10) 0.0203(4) Uani 1 1 d . . . . .
H35 H -0.2601 0.8505 0.4669 0.024 Uiso 1 1 calc R . . . .
C36 C -0.33695(14) 0.80754(8) 0.52522(10) 0.0252(4) Uani 1 1 d . . . . .
H36 H -0.3877 0.8308 0.5273 0.030 Uiso 1 1 calc R . . . .
C37 C -0.33838(14) 0.76246(8) 0.55868(10) 0.0241(4) Uani 1 1 d . . . . .
H37 H -0.3887 0.7550 0.5855 0.029 Uiso 1 1 calc R . . . .
C38 C -0.26620(13) 0.72797(7) 0.55305(10) 0.0199(4) Uani 1 1 d . . . . .
H38 H -0.2671 0.6972 0.5771 0.024 Uiso 1 1 calc R . . . .
C39 C -0.19165(12) 0.73695(7) 0.51288(9) 0.0145(4) Uani 1 1 d . . . . .
C40 C -0.11677(13) 0.69751(7) 0.50807(9) 0.0152(4) Uani 1 1 d . . . . .
H40 H -0.0772(15) 0.7030(8) 0.4737(11) 0.018 Uiso 1 1 d R . . . .
C41 C -0.19525(14) 0.83482(7) 0.31737(9) 0.0204(4) Uani 1 1 d . . . . .
H41 H -0.1650 0.8448 0.2761 0.025 Uiso 1 1 calc R . . . .
C42 C -0.28846(15) 0.86420(8) 0.31517(11) 0.0280(5) Uani 1 1 d . . . . .
H42A H -0.2745 0.9007 0.3188 0.034 Uiso 1 1 calc R . . . .
H42B H -0.3237 0.8544 0.3537 0.034 Uiso 1 1 calc R . . . .
C43 C -0.34997(15) 0.85376(9) 0.24993(11) 0.0322(5) Uani 1 1 d . . . . .
H43A H -0.4111 0.8721 0.2501 0.039 Uiso 1 1 calc R . . . .
H43B H -0.3169 0.8662 0.2117 0.039 Uiso 1 1 calc R . . . .
C44 C -0.36971(17) 0.79797(10) 0.24137(13) 0.0388(6) Uani 1 1 d . . . . .
H44A H -0.4060 0.7920 0.1974 0.047 Uiso 1 1 calc R . . . .
H44B H -0.4094 0.7865 0.2767 0.047 Uiso 1 1 calc R . . . .
C45 C -0.27804(17) 0.76765(9) 0.24545(12) 0.0361(5) Uani 1 1 d . . . . .
H45A H -0.2422 0.7761 0.2067 0.043 Uiso 1 1 calc R . . . .
H45B H -0.2937 0.7313 0.2430 0.043 Uiso 1 1 calc R . . . .
C46 C -0.21556(15) 0.77824(7) 0.31027(10) 0.0255(4) Uani 1 1 d . . . . .
H46A H -0.1547 0.7597 0.3100 0.031 Uiso 1 1 calc R . . . .
H46B H -0.2483 0.7664 0.3490 0.031 Uiso 1 1 calc R . . . .
C47 C 0.00749(13) 0.85240(7) 0.35340(9) 0.0180(4) Uani 1 1 d . . . . .
H47 H 0.0569 0.8579 0.3918 0.022 Uiso 1 1 calc R . . . .
C48 C 0.03504(14) 0.80381(7) 0.31907(10) 0.0217(4) Uani 1 1 d . . . . .
H48A H 0.0344 0.7755 0.3511 0.026 Uiso 1 1 calc R . . . .
H48B H -0.0124 0.7965 0.2808 0.026 Uiso 1 1 calc R . . . .
C49 C 0.13393(15) 0.80817(8) 0.29416(11) 0.0290(5) Uani 1 1 d . . . . .
H49A H 0.1823 0.8116 0.3330 0.035 Uiso 1 1 calc R . . . .
H49B H 0.1482 0.7771 0.2697 0.035 Uiso 1 1 calc R . . . .
C50 C 0.13982(17) 0.85337(9) 0.24815(11) 0.0336(5) Uani 1 1 d . . . . .
H50A H 0.2054 0.8563 0.2346 0.040 Uiso 1 1 calc R . . . .
H50B H 0.0961 0.8483 0.2072 0.040 Uiso 1 1 calc R . . . .
C51 C 0.11353(16) 0.90154(8) 0.28241(11) 0.0319(5) Uani 1 1 d . . . . .
H51A H 0.1154 0.9300 0.2507 0.038 Uiso 1 1 calc R . . . .
H51B H 0.1606 0.9082 0.3211 0.038 Uiso 1 1 calc R . . . .
C52 C 0.01421(15) 0.89763(8) 0.30636(10) 0.0268(4) Uani 1 1 d . . . . .
H52A H -0.0335 0.8939 0.2672 0.032 Uiso 1 1 calc R . . . .
H52B H -0.0005 0.9289 0.3302 0.032 Uiso 1 1 calc R . . . .
C53 C -0.22312(13) 0.61995(7) 0.42566(9) 0.0176(4) Uani 1 1 d . . . . .
H53 H -0.1824 0.6277 0.3886 0.021 Uiso 1 1 calc R . . . .
C54 C -0.31187(13) 0.65362(7) 0.41721(10) 0.0204(4) Uani 1 1 d . . . . .
H54A H -0.3496 0.6489 0.4560 0.024 Uiso 1 1 calc R . . . .
H54B H -0.2919 0.6893 0.4164 0.024 Uiso 1 1 calc R . . . .
C55 C -0.37384(14) 0.64140(8) 0.35284(10) 0.0251(4) Uani 1 1 d . . . . .
H55A H -0.4317 0.6627 0.3501 0.030 Uiso 1 1 calc R . . . .
H55B H -0.3382 0.6494 0.3139 0.030 Uiso 1 1 calc R . . . .
C56 C -0.40300(15) 0.58625(8) 0.34987(11) 0.0307(5) Uani 1 1 d . . . . .
H56A H -0.4433 0.5788 0.3866 0.037 Uiso 1 1 calc R . . . .
H56B H -0.4409 0.5793 0.3068 0.037 Uiso 1 1 calc R . . . .
C57 C -0.31541(16) 0.55290(8) 0.35642(11) 0.0300(5) Uani 1 1 d . . . . .
H57A H -0.2785 0.5582 0.3173 0.036 Uiso 1 1 calc R . . . .
H57B H -0.3354 0.5172 0.3566 0.036 Uiso 1 1 calc R . . . .
C58 C -0.25228(15) 0.56430(7) 0.42052(11) 0.0256(4) Uani 1 1 d . . . . .
H58A H -0.1942 0.5432 0.4219 0.031 Uiso 1 1 calc R . . . .
H58B H -0.2869 0.5553 0.4596 0.031 Uiso 1 1 calc R . . . .
C59 C -0.04328(13) 0.59517(7) 0.50192(10) 0.0195(4) Uani 1 1 d . . . . .
H59 H -0.0651 0.5602 0.4900 0.023 Uiso 1 1 calc R . . . .
C60 C 0.02012(14) 0.61070(8) 0.44756(10) 0.0256(4) Uani 1 1 d . . . . .
H60A H 0.0457 0.6449 0.4572 0.031 Uiso 1 1 calc R . . . .
H60B H -0.0182 0.6116 0.4036 0.031 Uiso 1 1 calc R . . . .
C61 C 0.10284(15) 0.57356(9) 0.44450(12) 0.0332(5) Uani 1 1 d . . . . .
H61A H 0.0773 0.5404 0.4292 0.040 Uiso 1 1 calc R . . . .
H61B H 0.1455 0.5856 0.4114 0.040 Uiso 1 1 calc R . . . .
C62 C 0.15976(15) 0.56752(8) 0.51195(12) 0.0335(5) Uani 1 1 d . . . . .
H62A H 0.2086 0.5411 0.5087 0.040 Uiso 1 1 calc R . . . .
H62B H 0.1931 0.5995 0.5242 0.040 Uiso 1 1 calc R . . . .
C63 C 0.09666(15) 0.55343(8) 0.56630(12) 0.0309(5) Uani 1 1 d . . . . .
H63A H 0.1354 0.5526 0.6100 0.037 Uiso 1 1 calc R . . . .
H63B H 0.0704 0.5193 0.5573 0.037 Uiso 1 1 calc R . . . .
C64 C 0.01484(14) 0.59055(7) 0.56992(10) 0.0235(4) Uani 1 1 d . . . . .
H64A H 0.0407 0.6239 0.5839 0.028 Uiso 1 1 calc R . . . .
H64B H -0.0271 0.5790 0.6039 0.028 Uiso 1 1 calc R . . . .
B1 B 0.08608(18) 0.83066(9) 0.71347(12) 0.0234(5) Uani 1 1 d . . . . .
H1A H 0.0927(16) 0.8437(9) 0.7668(12) 0.035 Uiso 1 1 d R . . . .
H1B H 0.0285(17) 0.8009(9) 0.7046(12) 0.035 Uiso 1 1 d R . . . .
H1C H 0.1559(17) 0.8187(9) 0.6970(12) 0.035 Uiso 1 1 d R . . . .
B2 B 0.16406(16) 0.71306(8) 0.58976(12) 0.0208(5) Uani 1 1 d . . . . .
H2A H 0.2074(16) 0.6809(9) 0.6049(11) 0.031 Uiso 1 1 d R . . . .
H2B H 0.1041(16) 0.7030(8) 0.5497(11) 0.031 Uiso 1 1 d R . . . .
H2C H 0.1354(16) 0.7315(8) 0.6346(11) 0.031 Uiso 1 1 d R . . . .
B3 B -0.12601(18) 0.91874(8) 0.42539(12) 0.0245(5) Uani 1 1 d . . . . .
H3A H -0.0530(17) 0.9297(9) 0.4441(12) 0.037 Uiso 1 1 d R . . . .
H3B H -0.1728(17) 0.9175(9) 0.4636(12) 0.037 Uiso 1 1 d R . . . .
H3C H -0.1511(16) 0.9417(9) 0.3830(12) 0.037 Uiso 1 1 d R . . . .
B4 B -0.21648(17) 0.60572(9) 0.58025(12) 0.0232(5) Uani 1 1 d . . . . .
H4A H -0.2923(17) 0.6144(9) 0.5721(11) 0.035 Uiso 1 1 d R . . . .
H4B H -0.1830(16) 0.6236(9) 0.6269(12) 0.035 Uiso 1 1 d R . . . .
H4C H -0.2047(16) 0.5641(9) 0.5775(12) 0.035 Uiso 1 1 d R . . . .
C1T C 0.4823(4) 0.4357(3) 0.3869(3) 0.0671(19) Uani 0.5 1 d . . P A -1
H1TA H 0.4897 0.4559 0.3468 0.101 Uiso 0.5 1 calc GR . P A -1
H1TB H 0.4181 0.4211 0.3838 0.101 Uiso 0.5 1 calc GR . P A -1
H1TC H 0.5296 0.4085 0.3900 0.101 Uiso 0.5 1 calc GR . P A -1
C2T C 0.4951(10) 0.4647(7) 0.4411(9) 0.0470(16) Uani 0.5 1 d . . P A -1
C7T C 0.5807(10) 0.4635(7) 0.4815(9) 0.0470(16) Uani 0.5 1 d G . P A -1
H7T H 0.6298 0.4410 0.4714 0.056 Uiso 0.5 1 calc R . P A -1
C6T C 0.5944(11) 0.4951(7) 0.5368(9) 0.0470(16) Uani 0.5 1 d G . P A -1
H6T H 0.6529 0.4942 0.5644 0.056 Uiso 0.5 1 calc R . P A -1
C5T C 0.5225(11) 0.5279(7) 0.5516(9) 0.0470(16) Uani 0.5 1 d G . P A -1
H5T H 0.5318 0.5496 0.5894 0.056 Uiso 0.5 1 calc R . P A -1
C4T C 0.4369(11) 0.5292(7) 0.5112(9) 0.0470(16) Uani 0.5 1 d G . P A -1
H4T H 0.3878 0.5516 0.5213 0.056 Uiso 0.5 1 calc R . P A -1
C3T C 0.4232(10) 0.4975(7) 0.4559(9) 0.0470(16) Uani 0.5 1 d G . P A -1
H3T H 0.3647 0.4984 0.4283 0.056 Uiso 0.5 1 calc R . P A -1
C8T C 0.4316(5) 0.4386(3) 0.0489(4) 0.0999(18) Uani 0.622 1 d . . P B 1
H8TA H 0.3669 0.4263 0.0531 0.150 Uiso 0.622 1 calc GR . P B 1
H8TB H 0.4571 0.4226 0.0103 0.150 Uiso 0.622 1 calc GR . P B 1
H8TC H 0.4300 0.4752 0.0425 0.150 Uiso 0.622 1 calc GR . P B 1
C9T C 0.4895(3) 0.4271(2) 0.1067(2) 0.0951(8) Uani 0.622 1 d . . P B 1
C10T C 0.5242(3) 0.37858(17) 0.1181(2) 0.0951(8) Uani 0.622 1 d G . P B 1
H10T H 0.5067 0.3526 0.0868 0.114 Uiso 0.622 1 calc R . P B 1
C11T C 0.5845(3) 0.36809(15) 0.1753(3) 0.0951(8) Uani 0.622 1 d G . P B 1
H11T H 0.6082 0.3349 0.1830 0.114 Uiso 0.622 1 calc R . P B 1
C12T C 0.6100(3) 0.4061(2) 0.2210(2) 0.0951(8) Uani 0.622 1 d G . P B 1
H12T H 0.6512 0.3989 0.2601 0.114 Uiso 0.622 1 calc R . P B 1
C20T C 0.5753(3) 0.45462(18) 0.2097(2) 0.0951(8) Uani 0.622 1 d G . P B 1
H20T H 0.5928 0.4806 0.2409 0.114 Uiso 0.622 1 calc R . P B 1
C21T C 0.5151(3) 0.46510(15) 0.1525(3) 0.0951(8) Uani 0.622 1 d G . P B 1
H21T H 0.4914 0.4982 0.1447 0.114 Uiso 0.622 1 calc R . P B 1
C14T C 0.5481(8) 0.5267(4) 0.9134(6) 0.0999(18) Uani 0.378 1 d . . P C 2
H14C H 0.6172 0.5316 0.9149 0.150 Uiso 0.378 1 calc GR . P C 2
H14D H 0.5306 0.4952 0.8900 0.150 Uiso 0.378 1 calc GR . P C 2
H14E H 0.5292 0.5251 0.9592 0.150 Uiso 0.378 1 calc GR . P C 2
C15T C 0.4992(6) 0.5689(3) 0.8779(4) 0.0951(8) Uani 0.378 1 d . . P C 2
C13T C 0.4529(5) 0.5543(3) 0.8167(4) 0.0951(8) Uani 0.378 1 d G . P C 2
H13T H 0.4549 0.5202 0.8029 0.114 Uiso 0.378 1 calc R . P C 2
C19T C 0.4037(5) 0.5897(3) 0.7758(3) 0.0951(8) Uani 0.378 1 d G . P C 2
H19T H 0.3721 0.5797 0.7340 0.114 Uiso 0.378 1 calc R . P C 2
C18T C 0.4008(5) 0.6397(3) 0.7960(4) 0.0951(8) Uani 0.378 1 d G . P C 2
H18T H 0.3672 0.6638 0.7681 0.114 Uiso 0.378 1 calc R . P C 2
C17T C 0.4472(5) 0.6542(2) 0.8572(4) 0.0951(8) Uani 0.378 1 d G . P C 2
H17T H 0.4452 0.6884 0.8710 0.114 Uiso 0.378 1 calc R . P C 2
C16T C 0.4964(6) 0.6189(3) 0.8981(3) 0.0951(8) Uani 0.378 1 d G . P C 2
H16T H 0.5280 0.6289 0.9399 0.114 Uiso 0.378 1 calc R . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 Sn2 2.81531(17) . ?
Sn1 C1 2.1887(17) . ?
Sn1 C8 2.2021(18) . ?
Sn1 C33 2.2518(17) . ?
Sn2 C40 2.3250(18) . ?
P1 C1 1.8373(18) . ?
P1 C9 1.8404(19) . ?
P1 C15 1.8332(19) . ?
P1 B1 1.931(2) . ?
P2 C8 1.8290(18) . ?
P2 C21 1.8413(18) . ?
P2 C27 1.8406(19) . ?
P2 B2 1.927(2) . ?
P3 C33 1.8218(18) . ?
P3 C41 1.8550(19) . ?
P3 C47 1.841(2) . ?
P3 B3 1.939(2) . ?
P4 C40 1.8103(18) . ?
P4 C53 1.8462(19) . ?
P4 C59 1.8368(19) . ?
P4 B4 1.934(2) . ?
C1 H1 0.94(2) . ?
C1 C2 1.514(3) . ?
C2 C3 1.400(3) . ?
C2 C7 1.408(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.398(3) . ?
C7 C8 1.514(2) . ?
C8 H8 0.94(2) . ?
C9 H9 1.0000 . ?
C9 C10 1.538(3) . ?
C9 C14 1.539(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.526(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.521(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.512(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.523(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15 1.0000 . ?
C15 C16 1.532(3) . ?
C15 C20 1.538(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.527(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.523(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.516(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.527(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21 1.0000 . ?
C21 C22 1.532(3) . ?
C21 C26 1.534(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.527(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.519(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.521(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.529(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27 1.0000 . ?
C27 C28 1.536(3) . ?
C27 C32 1.537(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.525(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.521(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.514(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.526(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33 0.96(2) . ?
C33 C34 1.506(3) . ?
C34 C35 1.393(3) . ?
C34 C39 1.429(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.382(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.374(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.381(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.401(3) . ?
C39 C40 1.497(2) . ?
C40 H40 0.94(2) . ?
C41 H41 1.0000 . ?
C41 C42 1.525(3) . ?
C41 C46 1.535(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.527(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.515(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.518(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.527(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 H47 1.0000 . ?
C47 C48 1.530(3) . ?
C47 C52 1.536(3) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.527(3) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.522(3) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.515(3) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.524(3) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53 1.0000 . ?
C53 C54 1.534(3) . ?
C53 C58 1.536(3) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.525(3) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.522(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.515(3) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.525(3) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59 1.0000 . ?
C59 C60 1.528(3) . ?
C59 C64 1.529(3) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.533(3) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.516(3) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.515(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.524(3) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
B1 H1A 1.12(2) . ?
B1 H1B 1.13(2) . ?
B1 H1C 1.11(2) . ?
B2 H2A 1.08(2) . ?
B2 H2B 1.14(2) . ?
B2 H2C 1.13(2) . ?
B3 H3A 1.10(2) . ?
B3 H3B 1.06(2) . ?
B3 H3C 1.08(2) . ?
B4 H4A 1.09(2) . ?
B4 H4B 1.11(2) . ?
B4 H4C 1.12(2) . ?
C1T H1TA 0.9800 . ?
C1T H1TB 0.9800 . ?
C1T H1TC 0.9800 . ?
C1T C2T 1.332(18) . ?
C2T C7T 1.3900 . ?
C2T C3T 1.3900 . ?
C7T H7T 0.9500 . ?
C7T C6T 1.3900 . ?
C6T H6T 0.9500 . ?
C6T C5T 1.3900 . ?
C5T H5T 0.9500 . ?
C5T C4T 1.3900 . ?
C4T H4T 0.9500 . ?
C4T C3T 1.3900 . ?
C3T H3T 0.9500 . ?
C8T H8TA 0.9800 . ?
C8T H8TB 0.9800 . ?
C8T H8TC 0.9800 . ?
C8T C9T 1.390(7) . ?
C9T C10T 1.3900 . ?
C9T C21T 1.3900 . ?
C10T H10T 0.9500 . ?
C10T C11T 1.3900 . ?
C11T H11T 0.9500 . ?
C11T C12T 1.3900 . ?
C12T H12T 0.9500 . ?
C12T C20T 1.3900 . ?
C20T H20T 0.9500 . ?
C20T C21T 1.3900 . ?
C21T H21T 0.9500 . ?
C14T H14C 0.9800 . ?
C14T H14D 0.9800 . ?
C14T H14E 0.9800 . ?
C14T C15T 1.467(11) . ?
C15T C13T 1.3900 . ?
C15T C16T 1.3900 . ?
C13T H13T 0.9500 . ?
C13T C19T 1.3900 . ?
C19T H19T 0.9500 . ?
C19T C18T 1.3900 . ?
C18T H18T 0.9500 . ?
C18T C17T 1.3900 . ?
C17T H17T 0.9500 . ?
C17T C16T 1.3900 . ?
C16T H16T 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 Sn2 131.32(5) . . ?
C1 Sn1 C8 85.71(7) . . ?
C1 Sn1 C33 114.28(7) . . ?
C8 Sn1 Sn2 116.50(5) . . ?
C8 Sn1 C33 108.51(7) . . ?
C33 Sn1 Sn2 99.50(5) . . ?
C40 Sn2 Sn1 83.61(4) . . ?
C1 P1 C9 109.44(9) . . ?
C1 P1 B1 117.32(9) . . ?
C9 P1 B1 109.59(10) . . ?
C15 P1 C1 103.40(9) . . ?
C15 P1 C9 106.42(9) . . ?
C15 P1 B1 110.03(10) . . ?
C8 P2 C21 106.78(8) . . ?
C8 P2 C27 108.04(8) . . ?
C8 P2 B2 110.45(9) . . ?
C21 P2 B2 109.90(9) . . ?
C27 P2 C21 109.08(9) . . ?
C27 P2 B2 112.42(10) . . ?
C33 P3 C41 109.05(8) . . ?
C33 P3 C47 104.32(8) . . ?
C33 P3 B3 116.06(10) . . ?
C41 P3 B3 114.90(10) . . ?
C47 P3 C41 104.32(9) . . ?
C47 P3 B3 106.94(10) . . ?
C40 P4 C53 108.16(8) . . ?
C40 P4 C59 106.23(9) . . ?
C40 P4 B4 118.82(10) . . ?
C53 P4 B4 110.99(10) . . ?
C59 P4 C53 104.50(9) . . ?
C59 P4 B4 107.10(10) . . ?
Sn1 C1 H1 107.5(12) . . ?
P1 C1 Sn1 110.60(9) . . ?
P1 C1 H1 105.8(12) . . ?
C2 C1 Sn1 104.00(11) . . ?
C2 C1 P1 119.34(13) . . ?
C2 C1 H1 109.1(12) . . ?
C3 C2 C1 119.13(16) . . ?
C3 C2 C7 118.50(17) . . ?
C7 C2 C1 122.02(16) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.71(18) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.91(18) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.16(18) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 H6 119.0 . . ?
C5 C6 C7 122.03(18) . . ?
C7 C6 H6 119.0 . . ?
C2 C7 C8 120.81(16) . . ?
C6 C7 C2 118.57(17) . . ?
C6 C7 C8 120.31(16) . . ?
Sn1 C8 H8 107.5(12) . . ?
P2 C8 Sn1 112.99(9) . . ?
P2 C8 H8 103.8(12) . . ?
C7 C8 Sn1 104.19(11) . . ?
C7 C8 P2 119.81(12) . . ?
C7 C8 H8 107.9(12) . . ?
P1 C9 H9 108.4 . . ?
C10 C9 P1 109.75(13) . . ?
C10 C9 H9 108.4 . . ?
C10 C9 C14 109.86(17) . . ?
C14 C9 P1 111.85(14) . . ?
C14 C9 H9 108.4 . . ?
C9 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 C9 111.39(18) . . ?
C11 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 C10 111.0(2) . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 C11 110.95(19) . . ?
C13 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C12 C13 H13A 109.2 . . ?
C12 C13 H13B 109.2 . . ?
C12 C13 C14 112.1(2) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C9 C14 H14A 109.6 . . ?
C9 C14 H14B 109.6 . . ?
C13 C14 C9 110.50(19) . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
P1 C15 H15 106.4 . . ?
C16 C15 P1 115.03(13) . . ?
C16 C15 H15 106.4 . . ?
C16 C15 C20 109.91(16) . . ?
C20 C15 P1 112.12(13) . . ?
C20 C15 H15 106.4 . . ?
C15 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 C15 110.47(16) . . ?
C17 C16 H16A 109.6 . . ?
C17 C16 H16B 109.6 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 C16 111.40(17) . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 C17 111.39(19) . . ?
C19 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
C18 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
C18 C19 C20 111.55(18) . . ?
H19A C19 H19B 108.0 . . ?
C20 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C19 C20 C15 110.53(16) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
P2 C21 H21 108.0 . . ?
C22 C21 P2 110.84(13) . . ?
C22 C21 H21 108.0 . . ?
C22 C21 C26 109.32(16) . . ?
C26 C21 P2 112.47(13) . . ?
C26 C21 H21 108.0 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C23 C22 C21 110.82(16) . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 C22 111.02(18) . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C23 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C23 C24 C25 110.95(18) . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 H24A 109.4 . . ?
C25 C24 H24B 109.4 . . ?
C24 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C24 C25 C26 111.53(17) . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C21 C26 H26A 109.4 . . ?
C21 C26 H26B 109.4 . . ?
C25 C26 C21 110.99(17) . . ?
C25 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
P2 C27 H27 105.7 . . ?
C28 C27 P2 113.44(13) . . ?
C28 C27 H27 105.7 . . ?
C28 C27 C32 110.03(15) . . ?
C32 C27 P2 115.29(13) . . ?
C32 C27 H27 105.7 . . ?
C27 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C29 C28 C27 110.41(17) . . ?
C29 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 C28 112.17(17) . . ?
C30 C29 H29A 109.2 . . ?
C30 C29 H29B 109.2 . . ?
C29 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 108.0 . . ?
C31 C30 C29 111.44(17) . . ?
C31 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
C30 C31 H31A 109.4 . . ?
C30 C31 H31B 109.4 . . ?
C30 C31 C32 111.15(18) . . ?
H31A C31 H31B 108.0 . . ?
C32 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
C27 C32 H32A 109.6 . . ?
C27 C32 H32B 109.6 . . ?
C31 C32 C27 110.23(16) . . ?
C31 C32 H32A 109.6 . . ?
C31 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
Sn1 C33 H33 100.6(12) . . ?
P3 C33 Sn1 117.81(9) . . ?
P3 C33 H33 105.5(12) . . ?
C34 C33 Sn1 101.02(11) . . ?
C34 C33 P3 119.05(13) . . ?
C34 C33 H33 111.5(12) . . ?
C35 C34 C33 121.40(16) . . ?
C35 C34 C39 117.83(17) . . ?
C39 C34 C33 120.60(15) . . ?
C34 C35 H35 118.8 . . ?
C36 C35 C34 122.48(18) . . ?
C36 C35 H35 118.8 . . ?
C35 C36 H36 120.2 . . ?
C37 C36 C35 119.63(18) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.64(18) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.0 . . ?
C37 C38 C39 122.02(18) . . ?
C39 C38 H38 119.0 . . ?
C34 C39 C40 122.58(16) . . ?
C38 C39 C34 118.05(16) . . ?
C38 C39 C40 119.19(16) . . ?
Sn2 C40 H40 109.7(13) . . ?
P4 C40 Sn2 112.97(9) . . ?
P4 C40 H40 108.7(13) . . ?
C39 C40 Sn2 91.84(11) . . ?
C39 C40 P4 118.44(13) . . ?
C39 C40 H40 114.1(13) . . ?
P3 C41 H41 105.8 . . ?
C42 C41 P3 113.55(14) . . ?
C42 C41 H41 105.8 . . ?
C42 C41 C46 110.26(17) . . ?
C46 C41 P3 114.79(13) . . ?
C46 C41 H41 105.8 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 C43 110.56(17) . . ?
H42A C42 H42B 108.1 . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C42 C43 H43A 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C44 C43 C42 111.02(19) . . ?
C44 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
C43 C44 H44A 109.3 . . ?
C43 C44 H44B 109.3 . . ?
C43 C44 C45 111.52(19) . . ?
H44A C44 H44B 108.0 . . ?
C45 C44 H44A 109.3 . . ?
C45 C44 H44B 109.3 . . ?
C44 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C44 C45 C46 111.65(19) . . ?
H45A C45 H45B 108.0 . . ?
C46 C45 H45A 109.3 . . ?
C46 C45 H45B 109.3 . . ?
C41 C46 H46A 109.6 . . ?
C41 C46 H46B 109.6 . . ?
C45 C46 C41 110.33(17) . . ?
C45 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
P3 C47 H47 106.4 . . ?
C48 C47 P3 116.23(13) . . ?
C48 C47 H47 106.4 . . ?
C48 C47 C52 110.59(16) . . ?
C52 C47 P3 110.29(13) . . ?
C52 C47 H47 106.4 . . ?
C47 C48 H48A 109.4 . . ?
C47 C48 H48B 109.4 . . ?
H48A C48 H48B 108.0 . . ?
C49 C48 C47 111.09(16) . . ?
C49 C48 H48A 109.4 . . ?
C49 C48 H48B 109.4 . . ?
C48 C49 H49A 109.4 . . ?
C48 C49 H49B 109.4 . . ?
H49A C49 H49B 108.0 . . ?
C50 C49 C48 111.13(18) . . ?
C50 C49 H49A 109.4 . . ?
C50 C49 H49B 109.4 . . ?
C49 C50 H50A 109.4 . . ?
C49 C50 H50B 109.4 . . ?
H50A C50 H50B 108.0 . . ?
C51 C50 C49 111.29(17) . . ?
C51 C50 H50A 109.4 . . ?
C51 C50 H50B 109.4 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 C52 110.79(17) . . ?
H51A C51 H51B 108.1 . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C51 C52 C47 110.91(17) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 108.0 . . ?
P4 C53 H53 108.4 . . ?
C54 C53 P4 111.19(13) . . ?
C54 C53 H53 108.4 . . ?
C54 C53 C58 110.12(16) . . ?
C58 C53 P4 110.24(13) . . ?
C58 C53 H53 108.4 . . ?
C53 C54 H54A 109.3 . . ?
C53 C54 H54B 109.3 . . ?
H54A C54 H54B 108.0 . . ?
C55 C54 C53 111.51(16) . . ?
C55 C54 H54A 109.3 . . ?
C55 C54 H54B 109.3 . . ?
C54 C55 H55A 109.3 . . ?
C54 C55 H55B 109.3 . . ?
H55A C55 H55B 107.9 . . ?
C56 C55 C54 111.69(17) . . ?
C56 C55 H55A 109.3 . . ?
C56 C55 H55B 109.3 . . ?
C55 C56 H56A 109.6 . . ?
C55 C56 H56B 109.6 . . ?
H56A C56 H56B 108.1 . . ?
C57 C56 C55 110.20(17) . . ?
C57 C56 H56A 109.6 . . ?
C57 C56 H56B 109.6 . . ?
C56 C57 H57A 109.4 . . ?
C56 C57 H57B 109.4 . . ?
C56 C57 C58 111.36(17) . . ?
H57A C57 H57B 108.0 . . ?
C58 C57 H57A 109.4 . . ?
C58 C57 H57B 109.4 . . ?
C53 C58 H58A 109.1 . . ?
C53 C58 H58B 109.1 . . ?
C57 C58 C53 112.31(17) . . ?
C57 C58 H58A 109.1 . . ?
C57 C58 H58B 109.1 . . ?
H58A C58 H58B 107.9 . . ?
P4 C59 H59 105.5 . . ?
C60 C59 P4 115.99(13) . . ?
C60 C59 H59 105.5 . . ?
C60 C59 C64 110.94(16) . . ?
C64 C59 P4 112.53(13) . . ?
C64 C59 H59 105.5 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 C61 110.55(18) . . ?
H60A C60 H60B 108.1 . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
C60 C61 H61A 109.2 . . ?
C60 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C62 C61 C60 111.98(18) . . ?
C62 C61 H61A 109.2 . . ?
C62 C61 H61B 109.2 . . ?
C61 C62 H62A 109.3 . . ?
C61 C62 H62B 109.3 . . ?
H62A C62 H62B 107.9 . . ?
C63 C62 C61 111.75(18) . . ?
C63 C62 H62A 109.3 . . ?
C63 C62 H62B 109.3 . . ?
C62 C63 H63A 109.3 . . ?
C62 C63 H63B 109.3 . . ?
C62 C63 C64 111.75(18) . . ?
H63A C63 H63B 107.9 . . ?
C64 C63 H63A 109.3 . . ?
C64 C63 H63B 109.3 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
C63 C64 C59 110.77(17) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 108.1 . . ?
P1 B1 H1A 104.3(12) . . ?
P1 B1 H1B 108.0(12) . . ?
P1 B1 H1C 107.7(12) . . ?
H1A B1 H1B 111.1(17) . . ?
H1A B1 H1C 111.9(17) . . ?
H1B B1 H1C 113.2(17) . . ?
P2 B2 H2A 112.5(12) . . ?
P2 B2 H2B 102.8(11) . . ?
P2 B2 H2C 106.9(11) . . ?
H2A B2 H2B 112.1(16) . . ?
H2A B2 H2C 110.7(17) . . ?
H2B B2 H2C 111.5(16) . . ?
P3 B3 H3A 102.9(12) . . ?
P3 B3 H3B 110.9(13) . . ?
P3 B3 H3C 105.2(13) . . ?
H3A B3 H3B 112.7(18) . . ?
H3A B3 H3C 110.3(17) . . ?
H3B B3 H3C 114.0(18) . . ?
P4 B4 H4A 109.0(12) . . ?
P4 B4 H4B 107.4(12) . . ?
P4 B4 H4C 103.7(12) . . ?
H4A B4 H4B 111.7(17) . . ?
H4A B4 H4C 110.5(17) . . ?
H4B B4 H4C 114.1(17) . . ?
H1TA C1T H1TB 109.5 . . ?
H1TA C1T H1TC 109.5 . . ?
H1TB C1T H1TC 109.5 . . ?
C2T C1T H1TA 109.5 . . ?
C2T C1T H1TB 109.5 . . ?
C2T C1T H1TC 109.5 . . ?
C1T C2T C7T 120.5(6) . . ?
C1T C2T C3T 119.4(6) . . ?
C7T C2T C3T 120.0 . . ?
C2T C7T H7T 120.0 . . ?
C2T C7T C6T 120.0 . . ?
C6T C7T H7T 120.0 . . ?
C7T C6T H6T 120.0 . . ?
C5T C6T C7T 120.0 . . ?
C5T C6T H6T 120.0 . . ?
C6T C5T H5T 120.0 . . ?
C6T C5T C4T 120.0 . . ?
C4T C5T H5T 120.0 . . ?
C5T C4T H4T 120.0 . . ?
C3T C4T C5T 120.0 . . ?
C3T C4T H4T 120.0 . . ?
C2T C3T H3T 120.0 . . ?
C4T C3T C2T 120.0 . . ?
C4T C3T H3T 120.0 . . ?
H8TA C8T H8TB 109.5 . . ?
H8TA C8T H8TC 109.5 . . ?
H8TB C8T H8TC 109.5 . . ?
C9T C8T H8TA 109.5 . . ?
C9T C8T H8TB 109.5 . . ?
C9T C8T H8TC 109.5 . . ?
C8T C9T C10T 120.8(4) . . ?
C8T C9T C21T 119.2(4) . . ?
C10T C9T C21T 120.0 . . ?
C9T C10T H10T 120.0 . . ?
C11T C10T C9T 120.0 . . ?
C11T C10T H10T 120.0 . . ?
C10T C11T H11T 120.0 . . ?
C10T C11T C12T 120.0 . . ?
C12T C11T H11T 120.0 . . ?
C11T C12T H12T 120.0 . . ?
C11T C12T C20T 120.0 . . ?
C20T C12T H12T 120.0 . . ?
C12T C20T H20T 120.0 . . ?
C21T C20T C12T 120.0 . . ?
C21T C20T H20T 120.0 . . ?
C9T C21T H21T 120.0 . . ?
C20T C21T C9T 120.0 . . ?
C20T C21T H21T 120.0 . . ?
H14C C14T H14D 109.5 . . ?
H14C C14T H14E 109.5 . . ?
H14D C14T H14E 109.5 . . ?
C15T C14T H14C 109.5 . . ?
C15T C14T H14D 109.5 . . ?
C15T C14T H14E 109.5 . . ?
C13T C15T C14T 112.1(6) . . ?
C13T C15T C16T 120.0 . . ?
C16T C15T C14T 127.9(6) . . ?
C15T C13T H13T 120.0 . . ?
C19T C13T C15T 120.0 . . ?
C19T C13T H13T 120.0 . . ?
C13T C19T H19T 120.0 . . ?
C13T C19T C18T 120.0 . . ?
C18T C19T H19T 120.0 . . ?
C19T C18T H18T 120.0 . . ?
C17T C18T C19T 120.0 . . ?
C17T C18T H18T 120.0 . . ?
C18T C17T H17T 120.0 . . ?
C16T C17T C18T 120.0 . . ?
C16T C17T H17T 120.0 . . ?
C15T C16T H16T 120.0 . . ?
C17T C16T C15T 120.0 . . ?
C17T C16T H16T 120.0 . . ?

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
Sn1 C1 C2 C3 160.55(14) . . . . ?
Sn1 C1 C2 C7 -12.6(2) . . . . ?
Sn1 C33 C34 C35 106.48(16) . . . . ?
Sn1 C33 C34 C39 -68.62(17) . . . . ?
P1 C1 C2 C3 -75.7(2) . . . . ?
P1 C1 C2 C7 111.16(17) . . . . ?
P1 C9 C10 C11 -179.77(16) . . . . ?
P1 C9 C14 C13 178.07(15) . . . . ?
P1 C15 C16 C17 -174.58(14) . . . . ?
P1 C15 C20 C19 173.19(15) . . . . ?
P2 C21 C22 C23 177.44(14) . . . . ?
P2 C21 C26 C25 -179.36(14) . . . . ?
P2 C27 C28 C29 -172.33(14) . . . . ?
P2 C27 C32 C31 171.77(14) . . . . ?
P3 C33 C34 C35 -24.2(2) . . . . ?
P3 C33 C34 C39 160.69(13) . . . . ?
P3 C41 C42 C43 171.57(15) . . . . ?
P3 C41 C46 C45 -173.14(15) . . . . ?
P3 C47 C48 C49 -177.90(14) . . . . ?
P3 C47 C52 C51 173.95(14) . . . . ?
P4 C53 C54 C55 -176.24(14) . . . . ?
P4 C53 C58 C57 176.76(15) . . . . ?
P4 C59 C60 C61 -173.93(14) . . . . ?
P4 C59 C64 C63 171.55(14) . . . . ?
C1 P1 C9 C10 -79.98(15) . . . . ?
C1 P1 C9 C14 157.83(14) . . . . ?
C1 P1 C15 C16 -62.91(15) . . . . ?
C1 P1 C15 C20 63.63(15) . . . . ?
C1 C2 C3 C4 -176.52(17) . . . . ?
C1 C2 C7 C6 173.36(16) . . . . ?
C1 C2 C7 C8 -0.3(3) . . . . ?
C2 C3 C4 C5 3.4(3) . . . . ?
C2 C7 C8 Sn1 13.01(19) . . . . ?
C2 C7 C8 P2 -114.52(17) . . . . ?
C3 C2 C7 C6 0.2(3) . . . . ?
C3 C2 C7 C8 -173.54(16) . . . . ?
C3 C4 C5 C6 -0.6(3) . . . . ?
C4 C5 C6 C7 -2.4(3) . . . . ?
C5 C6 C7 C2 2.6(3) . . . . ?
C5 C6 C7 C8 176.31(17) . . . . ?
C6 C7 C8 Sn1 -160.58(14) . . . . ?
C6 C7 C8 P2 71.9(2) . . . . ?
C7 C2 C3 C4 -3.1(3) . . . . ?
C8 P2 C21 C22 -58.95(15) . . . . ?
C8 P2 C21 C26 178.33(13) . . . . ?
C8 P2 C27 C28 149.07(13) . . . . ?
C8 P2 C27 C32 -82.78(15) . . . . ?
C9 P1 C1 Sn1 154.23(9) . . . . ?
C9 P1 C1 C2 33.72(17) . . . . ?
C9 P1 C15 C16 52.35(16) . . . . ?
C9 P1 C15 C20 178.90(14) . . . . ?
C9 C10 C11 C12 56.3(3) . . . . ?
C10 C9 C14 C13 55.9(2) . . . . ?
C10 C11 C12 C13 -55.5(3) . . . . ?
C11 C12 C13 C14 56.1(3) . . . . ?
C12 C13 C14 C9 -56.6(3) . . . . ?
C14 C9 C10 C11 -56.4(2) . . . . ?
C15 P1 C1 Sn1 -92.69(10) . . . . ?
C15 P1 C1 C2 146.80(14) . . . . ?
C15 P1 C9 C10 168.92(14) . . . . ?
C15 P1 C9 C14 46.73(16) . . . . ?
C15 C16 C17 C18 -56.7(2) . . . . ?
C16 C15 C20 C19 -57.6(2) . . . . ?
C16 C17 C18 C19 55.0(2) . . . . ?
C17 C18 C19 C20 -54.9(3) . . . . ?
C18 C19 C20 C15 56.3(2) . . . . ?
C20 C15 C16 C17 57.8(2) . . . . ?
C21 P2 C8 Sn1 138.12(9) . . . . ?
C21 P2 C8 C7 -98.52(15) . . . . ?
C21 P2 C27 C28 -95.22(15) . . . . ?
C21 P2 C27 C32 32.93(16) . . . . ?
C21 C22 C23 C24 57.9(2) . . . . ?
C22 C21 C26 C25 57.1(2) . . . . ?
C22 C23 C24 C25 -55.7(3) . . . . ?
C23 C24 C25 C26 55.0(3) . . . . ?
C24 C25 C26 C21 -56.1(2) . . . . ?
C26 C21 C22 C23 -58.0(2) . . . . ?
C27 P2 C8 Sn1 -104.67(10) . . . . ?
C27 P2 C8 C7 18.69(17) . . . . ?
C27 P2 C21 C22 -175.47(13) . . . . ?
C27 P2 C21 C26 61.81(16) . . . . ?
C27 C28 C29 C30 -55.0(2) . . . . ?
C28 C27 C32 C31 -58.4(2) . . . . ?
C28 C29 C30 C31 54.2(3) . . . . ?
C29 C30 C31 C32 -55.3(2) . . . . ?
C30 C31 C32 C27 57.7(2) . . . . ?
C32 C27 C28 C29 56.9(2) . . . . ?
C33 P3 C41 C42 108.97(15) . . . . ?
C33 P3 C41 C46 -19.15(18) . . . . ?
C33 P3 C47 C48 58.74(15) . . . . ?
C33 P3 C47 C52 -174.38(13) . . . . ?
C33 C34 C35 C36 -172.64(18) . . . . ?
C33 C34 C39 C38 168.87(16) . . . . ?
C33 C34 C39 C40 -6.2(3) . . . . ?
C34 C35 C36 C37 2.1(3) . . . . ?
C34 C39 C40 Sn2 95.15(16) . . . . ?
C34 C39 C40 P4 -147.36(15) . . . . ?
C35 C34 C39 C38 -6.4(2) . . . . ?
C35 C34 C39 C40 178.57(16) . . . . ?
C35 C36 C37 C38 -2.7(3) . . . . ?
C36 C37 C38 C39 -1.3(3) . . . . ?
C37 C38 C39 C34 5.9(3) . . . . ?
C37 C38 C39 C40 -178.84(18) . . . . ?
C38 C39 C40 Sn2 -79.83(16) . . . . ?
C38 C39 C40 P4 37.7(2) . . . . ?
C39 C34 C35 C36 2.6(3) . . . . ?
C40 P4 C53 C54 -59.71(15) . . . . ?
C40 P4 C53 C58 177.87(13) . . . . ?
C40 P4 C59 C60 -50.51(16) . . . . ?
C40 P4 C59 C64 78.73(15) . . . . ?
C41 P3 C33 Sn1 175.51(9) . . . . ?
C41 P3 C33 C34 -61.79(16) . . . . ?
C41 P3 C47 C48 -55.64(15) . . . . ?
C41 P3 C47 C52 71.24(14) . . . . ?
C41 C42 C43 C44 57.1(2) . . . . ?
C42 C41 C46 C45 57.1(2) . . . . ?
C42 C43 C44 C45 -55.3(3) . . . . ?
C43 C44 C45 C46 54.9(3) . . . . ?
C44 C45 C46 C41 -55.6(3) . . . . ?
C46 C41 C42 C43 -58.0(2) . . . . ?
C47 P3 C33 Sn1 64.52(11) . . . . ?
C47 P3 C33 C34 -172.77(13) . . . . ?
C47 P3 C41 C42 -140.04(15) . . . . ?
C47 P3 C41 C46 91.83(16) . . . . ?
C47 C48 C49 C50 -55.5(2) . . . . ?
C48 C47 C52 C51 -56.1(2) . . . . ?
C48 C49 C50 C51 56.2(2) . . . . ?
C49 C50 C51 C52 -56.8(2) . . . . ?
C50 C51 C52 C47 56.8(2) . . . . ?
C52 C47 C48 C49 55.4(2) . . . . ?
C53 P4 C40 Sn2 174.97(8) . . . . ?
C53 P4 C40 C39 69.35(16) . . . . ?
C53 P4 C59 C60 63.73(16) . . . . ?
C53 P4 C59 C64 -167.03(13) . . . . ?
C53 C54 C55 C56 56.4(2) . . . . ?
C54 C53 C58 C57 53.7(2) . . . . ?
C54 C55 C56 C57 -57.0(2) . . . . ?
C55 C56 C57 C58 56.3(2) . . . . ?
C56 C57 C58 C53 -55.7(2) . . . . ?
C58 C53 C54 C55 -53.7(2) . . . . ?
C59 P4 C40 Sn2 -73.33(11) . . . . ?
C59 P4 C40 C39 -178.94(14) . . . . ?
C59 P4 C53 C54 -172.58(13) . . . . ?
C59 P4 C53 C58 65.00(15) . . . . ?
C59 C60 C61 C62 -54.8(2) . . . . ?
C60 C59 C64 C63 -56.6(2) . . . . ?
C60 C61 C62 C63 54.0(3) . . . . ?
C61 C62 C63 C64 -54.3(2) . . . . ?
C62 C63 C64 C59 55.6(2) . . . . ?
C64 C59 C60 C61 56.1(2) . . . . ?
B1 P1 C1 Sn1 28.60(13) . . . . ?
B1 P1 C1 C2 -91.91(16) . . . . ?
B1 P1 C9 C10 49.98(17) . . . . ?
B1 P1 C9 C14 -72.21(17) . . . . ?
B1 P1 C15 C16 171.00(14) . . . . ?
B1 P1 C15 C20 -62.45(16) . . . . ?
B2 P2 C8 Sn1 18.66(12) . . . . ?
B2 P2 C8 C7 142.02(15) . . . . ?
B2 P2 C21 C22 60.86(16) . . . . ?
B2 P2 C21 C26 -61.86(16) . . . . ?
B2 P2 C27 C28 26.94(17) . . . . ?
B2 P2 C27 C32 155.09(14) . . . . ?
B3 P3 C33 Sn1 -52.84(14) . . . . ?
B3 P3 C33 C34 69.87(17) . . . . ?
B3 P3 C41 C42 -23.30(19) . . . . ?
B3 P3 C41 C46 -151.43(15) . . . . ?
B3 P3 C47 C48 -177.78(14) . . . . ?
B3 P3 C47 C52 -50.90(16) . . . . ?
B4 P4 C40 Sn2 47.32(13) . . . . ?
B4 P4 C40 C39 -58.29(17) . . . . ?
B4 P4 C53 C54 72.30(16) . . . . ?
B4 P4 C53 C58 -50.12(16) . . . . ?
B4 P4 C59 C60 -178.45(15) . . . . ?
B4 P4 C59 C64 -49.21(16) . . . . ?
C1T C2T C7T C6T 177.9(11) . . . . ?
C1T C2T C3T C4T -178.0(11) . . . . ?
C2T C7T C6T C5T 0.0 . . . . ?
C7T C2T C3T C4T 0.0 . . . . ?
C7T C6T C5T C4T 0.0 . . . . ?
C6T C5T C4T C3T 0.0 . . . . ?
C5T C4T C3T C2T 0.0 . . . . ?
C3T C2T C7T C6T 0.0 . . . . ?
C8T C9T C10T C11T 178.0(6) . . . . ?
C8T C9T C21T C20T -178.0(5) . . . . ?
C9T C10T C11T C12T 0.0 . . . . ?
C10T C9T C21T C20T 0.0 . . . . ?
C10T C11T C12T C20T 0.0 . . . . ?
C11T C12T C20T C21T 0.0 . . . . ?
C12T C20T C21T C9T 0.0 . . . . ?
C21T C9T C10T C11T 0.0 . . . . ?
C14T C15T C13T C19T -179.2(8) . . . . ?
C14T C15T C16T C17T 179.1(9) . . . . ?
C15T C13T C19T C18T 0.0 . . . . ?
C13T C15T C16T C17T 0.0 . . . . ?
C13T C19T C18T C17T 0.0 . . . . ?
C19T C18T C17T C16T 0.0 . . . . ?
C18T C17T C16T C15T 0.0 . . . . ?
C16T C15T C13T C19T 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Heat-sensitive, Oxygen-sensitive, Light-sensitive, Photo-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1010284'
