# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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 
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data_231015zh_zhcz114140_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2382097'
loop_
_audit_author_name
_audit_author_address
'Bao Ke'
;Guangxi University
China
;
_audit_update_record             
;
2024-09-05 deposited with the CCDC.	2024-09-26 downloaded from the CCDC.
;
_audit_creation_date             2023-10-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br5 Sb, C16 H36 P, C16 H35 P'
_chemical_formula_sum            'C32 H71 Br5 P2 Sb'
_chemical_formula_weight         1039.12
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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'
Sb Sb -0.5866 1.5461 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.756(4)
_cell_length_b                   11.880(4)
_cell_length_c                   16.979(5)
_cell_angle_alpha                98.786(8)
_cell_angle_beta                 96.418(9)
_cell_angle_gamma                104.761(8)
_cell_volume                     2237.9(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4809
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.626
_shelx_estimated_absorpt_T_min   0.553
_exptl_absorpt_coefficient_mu    5.170
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0972 before and 0.0509 after correction.
The Ratio of minimum to maximum transmission is 0.7843.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1038
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0948
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18478
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.704
_diffrn_reflns_theta_min         1.983
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5869
_reflns_number_total             10314
_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       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2022.08-RC130 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         10314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1210
_refine_ls_R_factor_gt           0.0538
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0368P)²+2.0960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1241
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C9(H9A,H9B), C30(H30A,H30B), C25(H25A,H25B), C26(H26A,H26B),
 C13(H13A,H13B), C2(H2A,H2B), C17(H17A,H17B), C5(H5A,H5B), C1(H1A,H1B),
 C18(H18A,H18B), C21(H21A,H21B), C19(H19A,H19B), C3(H3A,H3B), C6(H6A,H6B),
 C27(H27A,H27B), C7(H7A,H7B), C22(H22A,H22B), C31(H31A,H31B), C14(H14A,H14B),
 C10(H10A,H10B), C15(H15A,H15B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C28(H28A,H28B,H28C), C4(H4A,H4B,H4C), C32(H32A,H32B,H32C),
 C20(H20A,H20B,H20C), C12(H12A,H12B,H12C), C24(H24A,H24B,H24C), C16(H16A,H16B,
 H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Sb1 Sb 0.34102(4) 0.60680(4) 0.75970(3) 0.03142(11) Uani 1 1 d . . . . .
Br1 Br 0.49882(6) 0.46797(6) 0.76172(4) 0.04523(19) Uani 1 1 d . . . . .
Br2 Br 0.50896(6) 0.77883(6) 0.87074(4) 0.0464(2) Uani 1 1 d . . . . .
Br4 Br 0.17186(6) 0.43420(6) 0.64672(4) 0.04514(19) Uani 1 1 d . . . . .
Br5 Br 0.42607(6) 0.69277(7) 0.64529(4) 0.04686(19) Uani 1 1 d . . . . .
Br3 Br 0.19306(6) 0.75559(6) 0.76493(5) 0.0503(2) Uani 1 1 d . . . . .
P2 P 0.17318(15) 0.38171(15) 0.37440(11) 0.0368(4) Uani 1 1 d . . . . .
P1 P 0.36250(17) 0.14403(15) 0.86851(11) 0.0395(4) Uani 1 1 d . . . . .
C29 C 0.1348(5) 0.2483(5) 0.2998(4) 0.0385(16) Uani 1 1 d . . . . .
H29A H 0.123129 0.179976 0.327811 0.046 Uiso 1 1 calc R U . . .
H29B H 0.057682 0.241799 0.266753 0.046 Uiso 1 1 calc R U . . .
C9 C 0.3669(6) 0.2846(6) 0.9277(4) 0.0503(19) Uani 1 1 d . . . . .
H9A H 0.433948 0.304529 0.972948 0.060 Uiso 1 1 calc R U . . .
H9B H 0.385826 0.345311 0.893606 0.060 Uiso 1 1 calc R U . . .
C30 C 0.2260(6) 0.2389(6) 0.2431(4) 0.0421(17) Uani 1 1 d . . . . .
H30A H 0.302314 0.240134 0.274927 0.050 Uiso 1 1 calc R U . . .
H30B H 0.240481 0.307936 0.215773 0.050 Uiso 1 1 calc R U . . .
C25 C 0.3063(6) 0.3934(6) 0.4419(4) 0.0478(19) Uani 1 1 d . . . . .
H25A H 0.375203 0.416320 0.413465 0.057 Uiso 1 1 calc R U . . .
H25B H 0.315137 0.458394 0.488226 0.057 Uiso 1 1 calc R U . . .
C26 C 0.3120(6) 0.2831(7) 0.4745(4) 0.053(2) Uani 1 1 d . . . . .
H26A H 0.312477 0.219724 0.429379 0.063 Uiso 1 1 calc R U . . .
H26B H 0.240193 0.255243 0.499304 0.063 Uiso 1 1 calc R U . . .
C13 C 0.2322(6) 0.0911(6) 0.7943(4) 0.0456(18) Uani 1 1 d . . . . .
H13A H 0.230832 0.012133 0.764580 0.055 Uiso 1 1 calc R U . . .
H13B H 0.161433 0.080883 0.821872 0.055 Uiso 1 1 calc R U . . .
C2 C 0.2567(6) -0.0222(6) 0.9605(4) 0.0413(17) Uani 1 1 d . . . . .
H2A H 0.232362 0.040187 0.994578 0.050 Uiso 1 1 calc R U . . .
H2B H 0.191294 -0.060833 0.914878 0.050 Uiso 1 1 calc R U . . .
C17 C 0.0489(5) 0.3824(6) 0.4276(4) 0.0394(16) Uani 1 1 d . . . . .
H17A H 0.079379 0.436426 0.480392 0.047 Uiso 1 1 calc R U . . .
H17B H -0.005994 0.416658 0.396705 0.047 Uiso 1 1 calc R U . . .
C5 C 0.4949(6) 0.1703(6) 0.8229(4) 0.0498(19) Uani 1 1 d . . . . .
H5A H 0.499198 0.239630 0.796426 0.060 Uiso 1 1 calc R U . . .
H5B H 0.564538 0.191772 0.866284 0.060 Uiso 1 1 calc R U . . .
C1 C 0.3696(6) 0.0344(5) 0.9278(4) 0.0393(16) Uani 1 1 d . . . . .
H1A H 0.393080 -0.029713 0.894886 0.047 Uiso 1 1 calc R U . . .
H1B H 0.434155 0.070514 0.974305 0.047 Uiso 1 1 calc R U . . .
C18 C -0.0232(6) 0.2640(6) 0.4429(4) 0.0431(17) Uani 1 1 d . . . . .
H18A H 0.029085 0.229895 0.476102 0.052 Uiso 1 1 calc R U . . .
H18B H -0.054371 0.208254 0.390796 0.052 Uiso 1 1 calc R U . . .
C21 C 0.2019(6) 0.5086(6) 0.3261(5) 0.052(2) Uani 1 1 d . . . . .
H21A H 0.212411 0.580950 0.366969 0.062 Uiso 1 1 calc R U . . .
H21B H 0.277247 0.515655 0.303890 0.062 Uiso 1 1 calc R U . . .
C19 C -0.1270(6) 0.2787(7) 0.4862(4) 0.054(2) Uani 1 1 d . . . . .
H19A H -0.094922 0.325204 0.541365 0.064 Uiso 1 1 calc R U . . .
H19B H -0.171562 0.324296 0.457177 0.064 Uiso 1 1 calc R U . . .
C3 C 0.2774(6) -0.1131(6) 1.0098(4) 0.0493(19) Uani 1 1 d . . . . .
H3A H 0.314938 -0.167088 0.978487 0.059 Uiso 1 1 calc R U . . .
H3B H 0.333963 -0.071783 1.059637 0.059 Uiso 1 1 calc R U . . .
C6 C 0.5058(7) 0.0685(7) 0.7612(5) 0.055(2) Uani 1 1 d . . . . .
H6A H 0.441447 0.051023 0.714497 0.066 Uiso 1 1 calc R U . . .
H6B H 0.496815 -0.003234 0.785517 0.066 Uiso 1 1 calc R U . . .
C27 C 0.4223(7) 0.3063(7) 0.5367(4) 0.063(2) Uani 1 1 d . . . . .
H27A H 0.493116 0.344396 0.514018 0.076 Uiso 1 1 calc R U . . .
H27B H 0.416455 0.362197 0.584714 0.076 Uiso 1 1 calc R U . . .
C7 C 0.6277(7) 0.1000(7) 0.7323(5) 0.061(2) Uani 1 1 d . . . . .
H7A H 0.639638 0.176151 0.713187 0.073 Uiso 1 1 calc R U . . .
H7B H 0.691426 0.110386 0.778380 0.073 Uiso 1 1 calc R U . . .
C22 C 0.1001(7) 0.5009(7) 0.2570(5) 0.068(2) Uani 1 1 d . . . . .
H22A H 0.094865 0.432446 0.214001 0.081 Uiso 1 1 calc R U . . .
H22B H 0.023726 0.485701 0.278287 0.081 Uiso 1 1 calc R U . . .
C31 C 0.1809(6) 0.1242(6) 0.1798(4) 0.056(2) Uani 1 1 d . . . . .
H31A H 0.245681 0.115262 0.148845 0.068 Uiso 1 1 calc R U . . .
H31B H 0.161460 0.056100 0.207759 0.068 Uiso 1 1 calc R U . . .
C14 C 0.2227(7) 0.1720(7) 0.7335(5) 0.067(2) Uani 1 1 d . . . . .
H14A H 0.300066 0.196569 0.714217 0.081 Uiso 1 1 calc R U . . .
H14B H 0.205383 0.244272 0.760642 0.081 Uiso 1 1 calc R U . . .
C10 C 0.2577(8) 0.2959(7) 0.9626(5) 0.074(3) Uani 1 1 d . . . . .
H10A H 0.232828 0.229253 0.991265 0.088 Uiso 1 1 calc R U . . .
H10B H 0.193015 0.286040 0.917262 0.088 Uiso 1 1 calc R U . . .
C8 C 0.6375(8) 0.0069(8) 0.6661(6) 0.083(3) Uani 1 1 d . . . . .
H8A H 0.623721 -0.069177 0.684391 0.124 Uiso 1 1 calc R U . . .
H8B H 0.717355 0.028555 0.651325 0.124 Uiso 1 1 calc R U . . .
H8C H 0.577899 -0.000105 0.619125 0.124 Uiso 1 1 calc R U . . .
C28 C 0.4390(8) 0.1958(9) 0.5624(5) 0.092(3) Uani 1 1 d . . . . .
H28A H 0.454725 0.144165 0.516539 0.138 Uiso 1 1 calc R U . . .
H28B H 0.366672 0.154339 0.581009 0.138 Uiso 1 1 calc R U . . .
H28C H 0.506545 0.216597 0.606347 0.138 Uiso 1 1 calc R U . . .
C15 C 0.1239(9) 0.1102(9) 0.6603(6) 0.092(3) Uani 1 1 d . . . . .
H15A H 0.131351 0.157905 0.617198 0.110 Uiso 1 1 calc R U . . .
H15B H 0.132632 0.031183 0.638465 0.110 Uiso 1 1 calc R U . . .
C4 C 0.1653(8) -0.1859(7) 1.0327(5) 0.075(3) Uani 1 1 d . . . . .
H4A H 0.185917 -0.236196 1.069475 0.113 Uiso 1 1 calc R U . . .
H4B H 0.113415 -0.235740 0.983997 0.113 Uiso 1 1 calc R U . . .
H4C H 0.123749 -0.132921 1.059490 0.113 Uiso 1 1 calc R U . . .
C32 C 0.0742(7) 0.1206(8) 0.1225(5) 0.082(3) Uani 1 1 d . . . . .
H32A H 0.049969 0.045348 0.083820 0.123 Uiso 1 1 calc R U . . .
H32B H 0.093216 0.186522 0.093485 0.123 Uiso 1 1 calc R U . . .
H32C H 0.008921 0.127415 0.152489 0.123 Uiso 1 1 calc R U . . .
C20 C -0.2118(7) 0.1622(7) 0.4921(6) 0.076(3) Uani 1 1 d . . . . .
H20A H -0.244443 0.115857 0.437726 0.114 Uiso 1 1 calc R U . . .
H20B H -0.276898 0.177355 0.519576 0.114 Uiso 1 1 calc R U . . .
H20C H -0.169070 0.117913 0.522730 0.114 Uiso 1 1 calc R U . . .
C23 C 0.1153(8) 0.6068(9) 0.2215(7) 0.101(4) Uani 1 1 d . . . . .
H23A H 0.190519 0.621450 0.198784 0.121 Uiso 1 1 calc R U . . .
H23B H 0.121342 0.675840 0.264220 0.121 Uiso 1 1 calc R U . . .
C11 C 0.2676(12) 0.4103(9) 1.0203(7) 0.119(5) Uani 1 1 d . . . . .
H11 H 0.254615 0.411394 1.074635 0.143 Uiso 1 1 calc R U . . .
C12 C 0.2959(12) 0.5095(10) 0.9898(8) 0.150(6) Uani 1 1 d . . . . .
H12A H 0.285803 0.575761 1.027818 0.225 Uiso 1 1 calc R U . . .
H12B H 0.243731 0.498851 0.938431 0.225 Uiso 1 1 calc R U . . .
H12C H 0.379027 0.526489 0.980793 0.225 Uiso 1 1 calc R U . . .
C24 C 0.0122(9) 0.5950(11) 0.1554(7) 0.127(5) Uani 1 1 d . . . . .
H24A H 0.009040 0.529727 0.111451 0.190 Uiso 1 1 calc R U . . .
H24B H 0.023759 0.668965 0.134608 0.190 Uiso 1 1 calc R U . . .
H24C H -0.062635 0.578520 0.177390 0.190 Uiso 1 1 calc R U . . .
C16 C 0.0121(9) 0.0979(11) 0.6845(8) 0.143(6) Uani 1 1 d . . . . .
H16A H 0.008856 0.174229 0.714113 0.215 Uiso 1 1 calc R U . . .
H16B H -0.000778 0.038867 0.719449 0.215 Uiso 1 1 calc R U . . .
H16C H -0.049936 0.071907 0.636772 0.215 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 Br1 2.7794(10) . ?
Sb1 Br2 2.7503(10) . ?
Sb1 Br4 2.7761(10) . ?
Sb1 Br5 2.5172(10) . ?
Sb1 Br3 2.7770(10) . ?
P2 C29 1.792(6) . ?
P2 C25 1.795(7) . ?
P2 C17 1.802(6) . ?
P2 C21 1.799(7) . ?
P1 C9 1.798(6) . ?
P1 C13 1.779(7) . ?
P1 C5 1.793(7) . ?
P1 C1 1.775(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.531(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.501(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.534(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.511(9) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.516(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.527(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.532(8) . ?
C2 C3 1.514(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.522(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.515(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.527(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.555(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.510(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.507(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.540(9) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.495(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.488(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.455(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.487(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.549(11) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.520(11) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.399(13) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.520(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.340(14) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
Br2 Sb1 Br1 87.85(3) . . ?
Br2 Sb1 Br4 179.57(3) . . ?
Br2 Sb1 Br3 88.71(3) . . ?
Br4 Sb1 Br1 92.28(3) . . ?
Br4 Sb1 Br3 91.16(3) . . ?
Br5 Sb1 Br1 90.45(3) . . ?
Br5 Sb1 Br2 90.87(4) . . ?
Br5 Sb1 Br4 88.71(3) . . ?
Br5 Sb1 Br3 89.84(3) . . ?
Br3 Sb1 Br1 176.55(3) . . ?
C29 P2 C25 110.9(3) . . ?
C29 P2 C17 108.5(3) . . ?
C29 P2 C21 109.8(3) . . ?
C25 P2 C17 111.6(3) . . ?
C25 P2 C21 107.3(3) . . ?
C21 P2 C17 108.6(3) . . ?
C13 P1 C9 110.9(3) . . ?
C13 P1 C5 111.3(3) . . ?
C5 P1 C9 105.5(3) . . ?
C1 P1 C9 113.0(3) . . ?
C1 P1 C13 109.3(3) . . ?
C1 P1 C5 106.7(3) . . ?
P2 C29 H29A 108.4 . . ?
P2 C29 H29B 108.4 . . ?
H29A C29 H29B 107.5 . . ?
C30 C29 P2 115.5(4) . . ?
C30 C29 H29A 108.4 . . ?
C30 C29 H29B 108.4 . . ?
P1 C9 H9A 107.8 . . ?
P1 C9 H9B 107.8 . . ?
H9A C9 H9B 107.2 . . ?
C10 C9 P1 118.0(5) . . ?
C10 C9 H9A 107.8 . . ?
C10 C9 H9B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 C31 110.7(5) . . ?
H30A C30 H30B 108.1 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
P2 C25 H25A 108.3 . . ?
P2 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C26 C25 P2 116.0(5) . . ?
C26 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
C25 C26 H26A 109.3 . . ?
C25 C26 H26B 109.3 . . ?
C25 C26 C27 111.5(6) . . ?
H26A C26 H26B 108.0 . . ?
C27 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
P1 C13 H13A 108.7 . . ?
P1 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C14 C13 P1 114.3(5) . . ?
C14 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H2A C2 H2B 108.0 . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C3 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C3 C2 C1 111.0(5) . . ?
P2 C17 H17A 108.0 . . ?
P2 C17 H17B 108.0 . . ?
H17A C17 H17B 107.2 . . ?
C18 C17 P2 117.4(4) . . ?
C18 C17 H17A 108.0 . . ?
C18 C17 H17B 108.0 . . ?
P1 C5 H5A 108.2 . . ?
P1 C5 H5B 108.2 . . ?
H5A C5 H5B 107.4 . . ?
C6 C5 P1 116.3(5) . . ?
C6 C5 H5A 108.2 . . ?
C6 C5 H5B 108.2 . . ?
P1 C1 H1A 107.9 . . ?
P1 C1 H1B 107.9 . . ?
C2 C1 P1 117.5(4) . . ?
C2 C1 H1A 107.9 . . ?
C2 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
C17 C18 C19 111.1(5) . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
P2 C21 H21A 109.0 . . ?
P2 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C22 C21 P2 112.7(5) . . ?
C22 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C18 C19 H19A 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C20 C19 C18 113.3(6) . . ?
C20 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C2 C3 H3A 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 C2 113.7(6) . . ?
C4 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 C7 110.6(6) . . ?
H6A C6 H6B 108.1 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C26 C27 H27A 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C28 C27 C26 112.9(7) . . ?
C28 C27 H27A 109.0 . . ?
C28 C27 H27B 109.0 . . ?
C6 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C8 C7 C6 112.1(7) . . ?
C8 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C21 C22 H22A 108.7 . . ?
C21 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
C23 C22 C21 114.2(7) . . ?
C23 C22 H22A 108.7 . . ?
C23 C22 H22B 108.7 . . ?
C30 C31 H31A 108.9 . . ?
C30 C31 H31B 108.9 . . ?
H31A C31 H31B 107.7 . . ?
C32 C31 C30 113.5(7) . . ?
C32 C31 H31A 108.9 . . ?
C32 C31 H31B 108.9 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
C13 C14 C15 112.0(7) . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C9 C10 H10A 108.0 . . ?
C9 C10 H10B 108.0 . . ?
C9 C10 C11 117.2(8) . . ?
H10A C10 H10B 107.2 . . ?
C11 C10 H10A 108.0 . . ?
C11 C10 H10B 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C14 C15 H15A 109.8 . . ?
C14 C15 H15B 109.8 . . ?
H15A C15 H15B 108.2 . . ?
C16 C15 C14 109.5(10) . . ?
C16 C15 H15A 109.8 . . ?
C16 C15 H15B 109.8 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C22 C23 C24 111.8(9) . . ?
H23A C23 H23B 107.9 . . ?
C24 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C10 C11 H11 122.1 . . ?
C12 C11 C10 115.7(11) . . ?
C12 C11 H11 122.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
P2 C29 C30 C31 -177.4(5) . . . . ?
P2 C25 C26 C27 -174.5(5) . . . . ?
P2 C17 C18 C19 -178.4(5) . . . . ?
P2 C21 C22 C23 174.7(7) . . . . ?
P1 C9 C10 C11 173.1(7) . . . . ?
P1 C13 C14 C15 167.5(6) . . . . ?
P1 C5 C6 C7 -175.4(5) . . . . ?
C29 P2 C25 C26 -46.6(6) . . . . ?
C29 P2 C17 C18 35.9(6) . . . . ?
C29 P2 C21 C22 51.3(6) . . . . ?
C29 C30 C31 C32 66.1(9) . . . . ?
C9 P1 C13 C14 61.0(7) . . . . ?
C9 P1 C5 C6 -172.8(6) . . . . ?
C9 P1 C1 C2 76.0(6) . . . . ?
C9 C10 C11 C12 60.5(15) . . . . ?
C25 P2 C29 C30 -62.9(6) . . . . ?
C25 P2 C17 C18 -86.6(6) . . . . ?
C25 P2 C21 C22 171.9(5) . . . . ?
C25 C26 C27 C28 -172.6(7) . . . . ?
C13 P1 C9 C10 49.4(7) . . . . ?
C13 P1 C5 C6 -52.5(6) . . . . ?
C13 P1 C1 C2 -48.0(6) . . . . ?
C13 C14 C15 C16 71.4(10) . . . . ?
C17 P2 C29 C30 174.2(5) . . . . ?
C17 P2 C25 C26 74.6(6) . . . . ?
C17 P2 C21 C22 -67.3(6) . . . . ?
C17 C18 C19 C20 171.6(7) . . . . ?
C5 P1 C9 C10 170.1(6) . . . . ?
C5 P1 C13 C14 -56.2(6) . . . . ?
C5 P1 C1 C2 -168.4(5) . . . . ?
C5 C6 C7 C8 -174.7(7) . . . . ?
C1 P1 C9 C10 -73.7(7) . . . . ?
C1 P1 C13 C14 -173.8(6) . . . . ?
C1 P1 C5 C6 66.7(6) . . . . ?
C1 C2 C3 C4 -170.8(6) . . . . ?
C21 P2 C29 C30 55.5(6) . . . . ?
C21 P2 C25 C26 -166.5(5) . . . . ?
C21 P2 C17 C18 155.3(5) . . . . ?
C21 C22 C23 C24 -179.0(8) . . . . ?
C3 C2 C1 P1 -179.8(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2382098'
loop_
_audit_author_name
_audit_author_address
'Bao Ke'
;Guagxi university
China
;
_audit_update_record             
;
2024-09-05 deposited with the CCDC.	2024-09-26 downloaded from the CCDC.
;
_audit_creation_date             2023-07-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br6 Sn, 2(C16 H36 P)'
_chemical_formula_sum            'C32 H72 Br6 P2 Sn'
_chemical_formula_weight         1116.98
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   14.669(4)
_cell_length_b                   18.782(5)
_cell_length_c                   18.250(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.585(5)
_cell_angle_gamma                90
_cell_volume                     4608(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2944
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.731
_cell_measurement_theta_min      2.487
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.846
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1351 before and 0.0529 after correction.
The Ratio of minimum to maximum transmission is 0.5168.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.0845
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11639
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.435
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2617
_reflns_number_total             4058
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.730
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         4058
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0577
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0748P)²+0.0147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1537
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C2-C5 = C5-C7
 1.5 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C5(H5A,H5B), C8(H8A,H8B), C9(H9A,H9B),
 C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C15(H15A,H15B),
  C16(H16A,H16B)
3.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.000000 0.62038(3) 0.750000 0.0288(2) Uani 1 2 d S T P . .
Br1 Br 0.000000 0.76025(5) 0.750000 0.0468(3) Uani 1 2 d S T P . .
Br2 Br 0.000000 0.48172(5) 0.750000 0.0584(4) Uani 1 2 d S T P . .
Br3 Br 0.18444(6) 0.62342(4) 0.85079(6) 0.0527(3) Uani 1 1 d . . . . .
Br4 Br 0.05412(7) 0.62094(4) 0.63138(5) 0.0549(3) Uani 1 1 d . . . . .
P1 P 0.23461(16) 0.40014(10) 0.61931(14) 0.0441(6) Uani 1 1 d . . . . .
C1 C 0.3812(5) 0.3594(4) 0.5623(5) 0.0408(19) Uani 1 1 d . . . . .
H1A H 0.432218 0.370706 0.614407 0.049 Uiso 1 1 calc R U . . .
H1B H 0.368845 0.401786 0.529328 0.049 Uiso 1 1 calc R U . . .
C2 C 0.2939(7) 0.4826(5) 0.7588(6) 0.077(3) Uani 1 1 d D . . . .
H2A H 0.237594 0.459910 0.764232 0.092 Uiso 1 1 calc R U . . .
H2B H 0.271526 0.527860 0.731888 0.092 Uiso 1 1 calc R U . . .
C3 C 0.1196(8) 0.2589(6) 0.7325(8) 0.096(4) Uani 1 1 d . . . . .
H3A H 0.076730 0.232684 0.685495 0.116 Uiso 1 1 calc R U . . .
H3B H 0.078515 0.292859 0.745455 0.116 Uiso 1 1 calc R U . . .
C4 C 0.5206(7) 0.3133(5) 0.5244(7) 0.079(3) Uani 1 1 d . . . . .
H4A H 0.519873 0.356451 0.496058 0.118 Uiso 1 1 calc R U . . .
H4B H 0.537647 0.274018 0.498593 0.118 Uiso 1 1 calc R U . . .
H4C H 0.568996 0.317194 0.578467 0.118 Uiso 1 1 calc R U . . .
C5 C 0.3765(9) 0.4963(7) 0.8432(7) 0.110(5) Uani 1 1 d D . . . .
H5A H 0.347252 0.516435 0.877770 0.132 Uiso 1 1 calc R U . . .
H5B H 0.408206 0.451687 0.866401 0.132 Uiso 1 1 calc R U . . .
C6 C 0.1636(10) 0.2077(6) 0.8008(8) 0.115(5) Uani 1 1 d . . . . .
H6A H 0.206116 0.174745 0.789314 0.173 Uiso 1 1 calc R U . . .
H6B H 0.111160 0.182147 0.808051 0.173 Uiso 1 1 calc R U . . .
H6C H 0.201636 0.233595 0.848697 0.173 Uiso 1 1 calc R U . . .
C7 C 0.4478(12) 0.5437(8) 0.8373(11) 0.177(8) Uani 1 1 d D . . . .
H7A H 0.484776 0.520392 0.811163 0.266 Uiso 1 1 calc R U . . .
H7B H 0.492380 0.558310 0.889927 0.266 Uiso 1 1 calc R U . . .
H7C H 0.414821 0.584775 0.806908 0.266 Uiso 1 1 calc R U . . .
C8 C 0.4182(6) 0.3007(4) 0.5247(5) 0.050(2) Uani 1 1 d . . . . .
H8A H 0.370759 0.294452 0.469867 0.060 Uiso 1 1 calc R U . . .
H8B H 0.419933 0.256711 0.552984 0.060 Uiso 1 1 calc R U . . .
C9 C 0.1477(7) 0.3512(5) 0.6472(6) 0.067(3) Uani 1 1 d . . . . .
H9A H 0.109344 0.385001 0.663485 0.081 Uiso 1 1 calc R U . . .
H9B H 0.101656 0.326552 0.600277 0.081 Uiso 1 1 calc R U . . .
C10 C 0.1587(10) 0.5792(6) 0.4740(8) 0.107(4) Uani 1 1 d . . . . .
H10A H 0.113778 0.554639 0.426574 0.128 Uiso 1 1 calc R U . . .
H10B H 0.118646 0.600499 0.499558 0.128 Uiso 1 1 calc R U . . .
C11 C 0.3308(6) 0.4352(4) 0.7074(5) 0.054(2) Uani 1 1 d . . . . .
H11A H 0.368137 0.395766 0.739891 0.064 Uiso 1 1 calc R U . . .
H11B H 0.376007 0.462730 0.691713 0.064 Uiso 1 1 calc R U . . .
C12 C 0.2872(5) 0.3386(4) 0.5714(5) 0.045(2) Uani 1 1 d . . . . .
H12A H 0.300020 0.294291 0.601171 0.054 Uiso 1 1 calc R U . . .
H12B H 0.236958 0.328736 0.518478 0.054 Uiso 1 1 calc R U . . .
C13 C 0.1924(7) 0.2972(5) 0.7135(7) 0.077(3) Uani 1 1 d . . . . .
H13A H 0.231383 0.263392 0.697992 0.092 Uiso 1 1 calc R U . . .
H13B H 0.237260 0.321601 0.761199 0.092 Uiso 1 1 calc R U . . .
C14 C 0.2041(15) 0.6324(7) 0.4508(10) 0.170(8) Uani 1 1 d . . . . .
H14A H 0.251914 0.655462 0.497176 0.254 Uiso 1 1 calc R U . . .
H14B H 0.155219 0.666407 0.419406 0.254 Uiso 1 1 calc R U . . .
H14C H 0.237158 0.612834 0.419383 0.254 Uiso 1 1 calc R U . . .
C15 C 0.2282(8) 0.5239(5) 0.5315(6) 0.077(3) Uani 1 1 d . . . . .
H15A H 0.266660 0.500199 0.506049 0.092 Uiso 1 1 calc R U . . .
H15B H 0.274035 0.547372 0.579342 0.092 Uiso 1 1 calc R U . . .
C16 C 0.1678(6) 0.4702(4) 0.5532(5) 0.063(3) Uani 1 1 d . . . . .
H16A H 0.121058 0.448807 0.504267 0.076 Uiso 1 1 calc R U . . .
H16B H 0.129318 0.495319 0.577637 0.076 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 Br1 2.6272(14) . ?
Sn1 Br2 2.6043(14) . ?
Sn1 Br3 2.5932(10) . ?
Sn1 Br3 2.5932(10) 2_556 ?
Sn1 Br4 2.5869(12) 2_556 ?
Sn1 Br4 2.5868(12) . ?
P1 C9 1.804(10) . ?
P1 C11 1.786(8) . ?
P1 C12 1.799(8) . ?
P1 C16 1.789(8) . ?
C1 C8 1.509(10) . ?
C1 C12 1.505(10) . ?
C2 C5 1.553(12) . ?
C2 C11 1.540(11) . ?
C3 C6 1.499(15) . ?
C3 C13 1.441(12) . ?
C4 C8 1.523(11) . ?
C5 C7 1.411(14) . ?
C9 C13 1.512(13) . ?
C10 C14 1.358(16) . ?
C10 C15 1.538(14) . ?
C15 C16 1.496(13) . ?

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
Br2 Sn1 Br1 180.0 . . ?
Br3 Sn1 Br1 88.74(2) 2_556 . ?
Br3 Sn1 Br1 88.74(2) . . ?
Br3 Sn1 Br2 91.26(2) . . ?
Br3 Sn1 Br2 91.26(2) 2_556 . ?
Br3 Sn1 Br3 177.48(4) . 2_556 ?
Br4 Sn1 Br1 89.77(2) 2_556 . ?
Br4 Sn1 Br1 89.77(2) . . ?
Br4 Sn1 Br2 90.23(2) . . ?
Br4 Sn1 Br2 90.23(2) 2_556 . ?
Br4 Sn1 Br3 89.35(4) 2_556 . ?
Br4 Sn1 Br3 90.64(4) 2_556 2_556 ?
Br4 Sn1 Br3 90.64(4) . . ?
Br4 Sn1 Br3 89.35(4) . 2_556 ?
Br4 Sn1 Br4 179.53(4) . 2_556 ?
C11 P1 C9 109.1(5) . . ?
C11 P1 C12 109.6(4) . . ?
C11 P1 C16 110.9(4) . . ?
C12 P1 C9 107.4(4) . . ?
C16 P1 C9 107.9(5) . . ?
C16 P1 C12 111.8(4) . . ?
C12 C1 C8 111.9(6) . . ?
C11 C2 C5 112.1(8) . . ?
C13 C3 C6 113.9(10) . . ?
C7 C5 C2 109.7(13) . . ?
C1 C8 C4 115.0(7) . . ?
C13 C9 P1 116.0(7) . . ?
C14 C10 C15 115.8(13) . . ?
C2 C11 P1 114.7(6) . . ?
C1 C12 P1 118.5(5) . . ?
C3 C13 C9 113.6(9) . . ?
C16 C15 C10 109.6(9) . . ?
C15 C16 P1 116.9(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
