#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/98/7029853.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7029853
loop_
_publ_author_name
'Cramer, S. Alan'
'Sturgill, Forrest L.'
'Chandrachud, Preeti P.'
'Jenkins, David M.'
_publ_section_title
;
 Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14
 metals.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7687
_journal_page_last               7690
_journal_paper_doi               10.1039/c4dt00990h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C20 H28 B2 Br2 N8 Sn, 0.5(C5 H12)'
_chemical_formula_sum            'C22.5 H34 B2 Br2 N8 Sn'
_chemical_formula_weight         716.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.2200(10)
_cell_angle_beta                 94.9000(10)
_cell_angle_gamma                103.0660(10)
_cell_formula_units_Z            3
_cell_length_a                   12.9886(8)
_cell_length_b                   13.3288(8)
_cell_length_c                   14.4878(9)
_cell_measurement_temperature    100(2)
_cell_volume                     2120.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20208
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.758
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1065
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.822
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         8553
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0311P)²+12.0232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                7209
_reflns_number_total             8685
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00990h2.cif
_cod_data_source_block           Sn(IV)Br2Borate
_cod_depositor_comments
'Adding full bibliography for 7029853--7029856.cif.'
_cod_original_formula_sum        'C22.50 H34 B2 Br2 N8 Sn'
_cod_database_code               7029853
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.59328(2) 0.36920(2) 0.19608(2) 0.01244(8) Uani 1 1 d .
Sn2 Sn 0.5000 1.0000 0.5000 0.01264(10) Uani 1 2 d S
Br3 Br 0.56930(4) 0.25830(4) -0.01458(3) 0.01944(10) Uani 1 1 d .
Br4 Br 0.58772(4) 0.47095(4) 0.39860(3) 0.01679(10) Uani 1 1 d .
Br5 Br 0.57401(4) 1.11971(4) 0.70538(3) 0.01918(11) Uani 1 1 d .
C2 C 0.4615(3) 0.2115(4) 0.1769(3) 0.0145(8) Uani 1 1 d .
C4 C 0.7313(4) 0.5180(4) 0.2077(3) 0.0174(9) Uani 1 1 d .
C3 C 0.4581(4) 0.4464(4) 0.1766(3) 0.0163(9) Uani 1 1 d .
C1 C 0.7353(4) 0.2975(4) 0.2099(3) 0.0167(9) Uani 1 1 d .
C11 C 0.2944(4) 0.4698(4) 0.1601(4) 0.0242(10) Uani 1 1 d .
H11 H 0.2183 0.4551 0.1526 0.029 Uiso 1 1 calc R
C9 C 0.3706(4) 0.0385(4) 0.1633(3) 0.0181(9) Uani 1 1 d .
H9 H 0.3552 -0.0361 0.1605 0.022 Uiso 1 1 calc R
C10 C 0.2991(4) 0.0936(4) 0.1544(4) 0.0223(10) Uani 1 1 d .
H10 H 0.2228 0.0644 0.1440 0.027 Uiso 1 1 calc R
C12 C 0.3638(4) 0.5652(4) 0.1678(4) 0.0222(10) Uani 1 1 d .
H12 H 0.3467 0.6299 0.1659 0.027 Uiso 1 1 calc R
C5 C 0.9012(4) 0.2832(5) 0.2365(4) 0.0274(11) Uani 1 1 d .
H5 H 0.9772 0.3045 0.2608 0.033 Uiso 1 1 calc R
C16 C 0.8956(4) 0.6342(5) 0.2335(5) 0.0322(12) Uani 1 1 d .
H16 H 0.9714 0.6720 0.2580 0.039 Uiso 1 1 calc R
C15 C 0.8268(4) 0.6548(5) 0.1732(5) 0.0303(12) Uani 1 1 d .
H15 H 0.8448 0.7087 0.1471 0.036 Uiso 1 1 calc R
C13 C 0.5608(4) 0.6396(4) 0.1888(4) 0.0192(9) Uani 1 1 d .
H13A H 0.6067 0.6778 0.2611 0.023 Uiso 1 1 calc R
H13B H 0.5383 0.7013 0.1797 0.023 Uiso 1 1 calc R
C7 C 0.6357(4) 0.0804(4) 0.1095(4) 0.0192(9) Uani 1 1 d .
H7A H 0.6568 0.0069 0.0765 0.023 Uiso 1 1 calc R
H7B H 0.5918 0.0843 0.0526 0.023 Uiso 1 1 calc R
C14 C 0.6270(4) 0.5872(4) 0.1072(4) 0.0194(9) Uani 1 1 d .
H14A H 0.5836 0.5065 0.0515 0.023 Uiso 1 1 calc R
H14B H 0.6453 0.6361 0.0727 0.023 Uiso 1 1 calc R
C6 C 0.8345(4) 0.1734(5) 0.1777(4) 0.0267(11) Uani 1 1 d .
H6 H 0.8542 0.1025 0.1524 0.032 Uiso 1 1 calc R
C8 C 0.5680(3) 0.0777(4) 0.1901(3) 0.0156(9) Uani 1 1 d .
H8A H 0.5468 -0.0031 0.1809 0.019 Uiso 1 1 calc R
H8B H 0.6123 0.1323 0.2630 0.019 Uiso 1 1 calc R
N3 N 0.4708(3) 0.1118(3) 0.1772(3) 0.0159(7) Uani 1 1 d .
N6 N 0.4655(3) 0.5513(3) 0.1790(3) 0.0155(7) Uani 1 1 d .
N7 N 0.7262(3) 0.5822(3) 0.1575(3) 0.0184(8) Uani 1 1 d .
N1 N 0.8398(3) 0.3609(3) 0.2561(3) 0.0202(8) Uani 1 1 d .
N2 N 0.7324(3) 0.1818(3) 0.1606(3) 0.0177(8) Uani 1 1 d .
N8 N 0.8367(3) 0.5490(3) 0.2531(3) 0.0210(8) Uani 1 1 d .
N5 N 0.3516(3) 0.3956(3) 0.1648(3) 0.0182(8) Uani 1 1 d .
N4 N 0.3550(3) 0.2005(3) 0.1631(3) 0.0183(8) Uani 1 1 d .
B1 B 0.2816(4) 0.2790(5) 0.1590(5) 0.0216(11) Uani 1 1 d .
B2 B 0.8950(4) 0.5007(5) 0.3180(4) 0.0212(11) Uani 1 1 d .
C21 C 0.3655(3) 1.0897(4) 0.5112(3) 0.0156(9) Uani 1 1 d .
C22 C 0.3695(4) 0.8637(4) 0.5150(3) 0.0165(9) Uani 1 1 d .
C19 C 0.8833(4) 0.5609(5) 0.4401(4) 0.0280(11) Uani 1 1 d .
H19A H 0.9151 0.6468 0.4741 0.042 Uiso 1 1 calc R
H19B H 0.9212 0.5302 0.4780 0.042 Uiso 1 1 calc R
H19C H 0.8065 0.5422 0.4425 0.042 Uiso 1 1 calc R
C17 C 0.2289(5) 0.3166(5) 0.2627(6) 0.0420(15) Uani 1 1 d .
H17A H 0.2868 0.3613 0.3271 0.063 Uiso 1 1 calc R
H17B H 0.1849 0.2454 0.2611 0.063 Uiso 1 1 calc R
H17C H 0.1832 0.3659 0.2627 0.063 Uiso 1 1 calc R
C18 C 0.1971(5) 0.2028(5) 0.0433(6) 0.0476(18) Uani 1 1 d .
H18A H 0.1515 0.2496 0.0367 0.071 Uiso 1 1 calc R
H18B H 0.1513 0.1296 0.0370 0.071 Uiso 1 1 calc R
H18C H 0.2378 0.1834 -0.0133 0.071 Uiso 1 1 calc R
C20 C 1.0217(4) 0.5267(4) 0.3118(4) 0.0266(11) Uani 1 1 d .
H20A H 1.0275 0.4900 0.2372 0.040 Uiso 1 1 calc R
H20B H 1.0580 0.4937 0.3484 0.040 Uiso 1 1 calc R
H20C H 1.0562 0.6123 0.3463 0.040 Uiso 1 1 calc R
C23 C 0.2640(4) 1.1980(4) 0.4923(4) 0.0232(10) Uani 1 1 d .
H23 H 0.2412 1.2526 0.4769 0.028 Uiso 1 1 calc R
C26 C 0.4453(3) 1.2332(4) 0.4505(3) 0.0164(9) Uani 1 1 d .
H26A H 0.4200 1.2893 0.4345 0.020 Uiso 1 1 calc R
H26B H 0.4641 1.1767 0.3859 0.020 Uiso 1 1 calc R
C25 C 0.2215(4) 0.7737(4) 0.5463(4) 0.0211(10) Uani 1 1 d .
H25 H 0.1548 0.7607 0.5677 0.025 Uiso 1 1 calc R
C24 C 0.2106(4) 1.1328(5) 0.5312(4) 0.0241(10) Uani 1 1 d .
H24 H 0.1417 1.1332 0.5485 0.029 Uiso 1 1 calc R
N9 N 0.3591(3) 1.1692(3) 0.4793(3) 0.0154(7) Uani 1 1 d .
N10 N 0.2721(3) 1.0648(3) 0.5420(3) 0.0189(8) Uani 1 1 d .
N11 N 0.2779(3) 0.8767(3) 0.5487(3) 0.0166(8) Uani 1 1 d .
B3 B 0.2313(4) 0.9861(4) 0.5949(4) 0.0188(10) Uani 1 1 d .
C27 C 0.0983(4) 0.9355(5) 0.5584(5) 0.0320(12) Uani 1 1 d .
H27A H 0.0765 0.8930 0.4806 0.048 Uiso 1 1 calc R
H27B H 0.0678 1.0018 0.5874 0.048 Uiso 1 1 calc R
H27C H 0.0713 0.8816 0.5855 0.048 Uiso 1 1 calc R
C28 C 0.2772(4) 0.6958(4) 0.5086(4) 0.0211(10) Uani 1 1 d .
H28 H 0.2577 0.6175 0.4980 0.025 Uiso 1 1 calc R
N12 N 0.3673(3) 0.7505(3) 0.4884(3) 0.0167(8) Uani 1 1 d .
C29 C 0.2734(4) 1.0633(4) 0.7224(4) 0.0263(11) Uani 1 1 d .
H29A H 0.2461 1.0150 0.7547 0.039 Uiso 1 1 calc R
H29B H 0.2469 1.1326 0.7497 0.039 Uiso 1 1 calc R
H29C H 0.3528 1.0893 0.7403 0.039 Uiso 1 1 calc R
C30 C 0.4539(4) 0.6989(4) 0.4580(4) 0.0180(9) Uani 1 1 d .
H30A H 0.4717 0.7018 0.3940 0.022 Uiso 1 1 calc R
H30B H 0.4302 0.6150 0.4404 0.022 Uiso 1 1 calc R
C43 C 0.8606(6) 0.2777(8) 0.8836(7) 0.048(2) Uani 0.75 1 d P
H43A H 0.8907 0.3043 0.8353 0.057 Uiso 0.75 1 calc PR
H43B H 0.7816 0.2395 0.8552 0.057 Uiso 0.75 1 calc PR
C44 C 0.9011(8) 0.0972(10) 0.7807(8) 0.074(4) Uani 0.75 1 d P
H44A H 0.9294 0.1315 0.7367 0.089 Uiso 0.75 1 calc PR
H44B H 0.8238 0.0515 0.7484 0.089 Uiso 0.75 1 calc PR
C49 C 0.9139(7) 0.1911(11) 0.8909(9) 0.082(4) Uani 0.75 1 d P
H49A H 0.9916 0.2309 0.9257 0.098 Uiso 0.75 1 calc PR
H49B H 0.8786 0.1575 0.9327 0.098 Uiso 0.75 1 calc PR
C50 C 0.8819(11) 0.3806(13) 0.9927(11) 0.111(5) Uani 0.75 1 d P
H50A H 0.8430 0.3554 1.0372 0.167 Uiso 0.75 1 calc PR
H50B H 0.8569 0.4429 0.9888 0.167 Uiso 0.75 1 calc PR
H50C H 0.9598 0.4111 1.0238 0.167 Uiso 0.75 1 calc PR
C52 C 0.9671(8) 0.0171(13) 0.7888(10) 0.085(4) Uani 0.75 1 d P
H52A H 1.0435 0.0513 0.7924 0.127 Uiso 0.75 1 calc PR
H52B H 0.9392 -0.0619 0.7262 0.127 Uiso 0.75 1 calc PR
H52C H 0.9604 0.0111 0.8532 0.127 Uiso 0.75 1 calc PR
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'
N N 0.0061 0.0033 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 Sn1 C4 175.91(15) . .
C2 Sn1 C3 87.12(15) . .
C4 Sn1 C3 95.93(16) . .
C2 Sn1 C1 96.09(15) . .
C4 Sn1 C1 80.76(16) . .
C3 Sn1 C1 176.13(15) . .
C2 Sn1 Br4 86.46(10) . .
C4 Sn1 Br4 96.49(11) . .
C3 Sn1 Br4 85.41(10) . .
C1 Sn1 Br4 96.93(11) . .
C2 Sn1 Br3 88.19(10) . .
C4 Sn1 Br3 89.16(11) . .
C3 Sn1 Br3 88.54(10) . .
C1 Sn1 Br3 89.40(11) . .
Br4 Sn1 Br3 172.107(18) . .
C22 Sn2 C22 180.0 2_676 .
C22 Sn2 C21 96.92(15) 2_676 .
C22 Sn2 C21 83.08(15) . .
C22 Sn2 C21 83.08(15) 2_676 2_676
C22 Sn2 C21 96.92(15) . 2_676
C21 Sn2 C21 179.998(2) . 2_676
C22 Sn2 Br5 88.58(10) 2_676 .
C22 Sn2 Br5 91.42(10) . .
C21 Sn2 Br5 92.24(11) . .
C21 Sn2 Br5 87.76(11) 2_676 .
C22 Sn2 Br5 91.42(10) 2_676 2_676
C22 Sn2 Br5 88.58(10) . 2_676
C21 Sn2 Br5 87.76(11) . 2_676
C21 Sn2 Br5 92.24(11) 2_676 2_676
Br5 Sn2 Br5 180.000(1) . 2_676
N4 C2 N3 105.9(4) . .
N4 C2 Sn1 124.8(3) . .
N3 C2 Sn1 129.3(3) . .
N8 C4 N7 105.9(4) . .
N8 C4 Sn1 127.1(3) . .
N7 C4 Sn1 126.4(3) . .
N5 C3 N6 106.0(4) . .
N5 C3 Sn1 124.8(3) . .
N6 C3 Sn1 129.1(3) . .
N1 C1 N2 106.5(4) . .
N1 C1 Sn1 126.9(3) . .
N2 C1 Sn1 126.1(3) . .
C12 C11 N5 108.7(4) . .
C12 C11 H11 125.6 . .
N5 C11 H11 125.6 . .
C10 C9 N3 106.1(4) . .
C10 C9 H9 127.0 . .
N3 C9 H9 127.0 . .
C9 C10 N4 108.6(4) . .
C9 C10 H10 125.7 . .
N4 C10 H10 125.7 . .
C11 C12 N6 106.4(4) . .
C11 C12 H12 126.8 . .
N6 C12 H12 126.8 . .
C6 C5 N1 107.9(4) . .
C6 C5 H5 126.0 . .
N1 C5 H5 126.0 . .
C15 C16 N8 108.2(4) . .
C15 C16 H16 125.9 . .
N8 C16 H16 125.9 . .
C16 C15 N7 106.1(4) . .
C16 C15 H15 126.9 . .
N7 C15 H15 126.9 . .
N6 C13 C14 112.3(4) . .
N6 C13 H13A 109.1 . .
C14 C13 H13A 109.1 . .
N6 C13 H13B 109.1 . .
C14 C13 H13B 109.1 . .
H13A C13 H13B 107.9 . .
N2 C7 C8 110.8(4) . .
N2 C7 H7A 109.5 . .
C8 C7 H7A 109.5 . .
N2 C7 H7B 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
N7 C14 C13 110.6(4) . .
N7 C14 H14A 109.5 . .
C13 C14 H14A 109.5 . .
N7 C14 H14B 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
C5 C6 N2 107.3(4) . .
C5 C6 H6 126.3 . .
N2 C6 H6 126.3 . .
N3 C8 C7 111.6(3) . .
N3 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
N3 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C2 N3 C9 110.5(4) . .
C2 N3 C8 129.3(4) . .
C9 N3 C8 120.2(4) . .
C3 N6 C12 110.1(4) . .
C3 N6 C13 128.8(4) . .
C12 N6 C13 121.1(4) . .
C4 N7 C15 110.5(4) . .
C4 N7 C14 125.4(4) . .
C15 N7 C14 123.6(4) . .
C1 N1 C5 108.6(4) . .
C1 N1 B2 129.9(4) . .
C5 N1 B2 121.4(4) . .
C1 N2 C6 109.7(4) . .
C1 N2 C7 126.3(4) . .
C6 N2 C7 123.6(4) . .
C4 N8 C16 109.2(4) . .
C4 N8 B2 130.1(4) . .
C16 N8 B2 120.7(4) . .
C3 N5 C11 108.8(4) . .
C3 N5 B1 135.9(4) . .
C11 N5 B1 115.3(4) . .
C2 N4 C10 108.9(4) . .
C2 N4 B1 136.3(4) . .
C10 N4 B1 114.7(4) . .
N5 B1 N4 110.8(4) . .
N5 B1 C17 107.8(4) . .
N4 B1 C17 107.5(4) . .
N5 B1 C18 107.1(4) . .
N4 B1 C18 107.0(4) . .
C17 B1 C18 116.7(5) . .
N8 B2 N1 105.6(4) . .
N8 B2 C19 111.7(4) . .
N1 B2 C19 112.1(4) . .
N8 B2 C20 108.5(4) . .
N1 B2 C20 108.3(4) . .
C19 B2 C20 110.4(4) . .
N9 C21 N10 106.0(4) . .
N9 C21 Sn2 127.2(3) . .
N10 C21 Sn2 126.5(3) . .
N11 C22 N12 105.6(4) . .
N11 C22 Sn2 127.4(3) . .
N12 C22 Sn2 127.0(3) . .
B2 C19 H19A 109.5 . .
B2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
B2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
B1 C17 H17A 109.5 . .
B1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
B1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
B1 C18 H18A 109.5 . .
B1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
B1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
B2 C20 H20A 109.5 . .
B2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
B2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C24 C23 N9 105.5(4) . .
C24 C23 H23 127.2 . .
N9 C23 H23 127.2 . .
N9 C26 C30 110.4(3) . 2_676
N9 C26 H26A 109.6 . .
C30 C26 H26A 109.6 2_676 .
N9 C26 H26B 109.6 . .
C30 C26 H26B 109.6 2_676 .
H26A C26 H26B 108.1 . .
C28 C25 N11 108.1(4) . .
C28 C25 H25 126.0 . .
N11 C25 H25 126.0 . .
C23 C24 N10 108.9(4) . .
C23 C24 H24 125.5 . .
N10 C24 H24 125.5 . .
C21 N9 C23 111.1(4) . .
C21 N9 C26 126.5(4) . .
C23 N9 C26 121.7(4) . .
C21 N10 C24 108.4(4) . .
C21 N10 B3 132.0(4) . .
C24 N10 B3 119.2(4) . .
C22 N11 C25 109.2(4) . .
C22 N11 B3 132.3(4) . .
C25 N11 B3 118.3(4) . .
N11 B3 N10 108.1(4) . .
N11 B3 C29 110.2(4) . .
N10 B3 C29 109.9(4) . .
N11 B3 C27 108.2(4) . .
N10 B3 C27 107.8(4) . .
C29 B3 C27 112.5(4) . .
B3 C27 H27A 109.5 . .
B3 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
B3 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 N12 106.6(4) . .
C25 C28 H28 126.7 . .
N12 C28 H28 126.7 . .
C28 N12 C22 110.5(4) . .
C28 N12 C30 122.8(4) . .
C22 N12 C30 126.2(4) . .
B3 C29 H29A 109.5 . .
B3 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
B3 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N12 C30 C26 110.0(3) . 2_676
N12 C30 H30A 109.7 . .
C26 C30 H30A 109.7 2_676 .
N12 C30 H30B 109.7 . .
C26 C30 H30B 109.7 2_676 .
H30A C30 H30B 108.2 . .
C50 C43 C49 107.9(10) . .
C50 C43 H43A 110.1 . .
C49 C43 H43A 110.1 . .
C50 C43 H43B 110.1 . .
C49 C43 H43B 110.1 . .
H43A C43 H43B 108.4 . .
C49 C44 C52 105.6(11) . .
C49 C44 H44A 110.6 . .
C52 C44 H44A 110.6 . .
C49 C44 H44B 110.6 . .
C52 C44 H44B 110.6 . .
H44A C44 H44B 108.8 . .
C44 C49 C43 106.3(11) . .
C44 C49 H49A 110.5 . .
C43 C49 H49A 110.5 . .
C44 C49 H49B 110.5 . .
C43 C49 H49B 110.5 . .
H49A C49 H49B 108.7 . .
C43 C50 H50A 109.5 . .
C43 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C43 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C44 C52 H52A 109.5 . .
C44 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C44 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C2 2.276(4) .
Sn1 C4 2.282(4) .
Sn1 C3 2.284(4) .
Sn1 C1 2.295(4) .
Sn1 Br4 2.6255(5) .
Sn1 Br3 2.6643(5) .
Sn2 C22 2.293(4) 2_676
Sn2 C22 2.293(4) .
Sn2 C21 2.307(4) .
Sn2 C21 2.307(4) 2_676
Sn2 Br5 2.6074(5) .
Sn2 Br5 2.6074(5) 2_676
C2 N4 1.345(6) .
C2 N3 1.364(6) .
C4 N8 1.349(6) .
C4 N7 1.362(6) .
C3 N5 1.353(6) .
C3 N6 1.363(6) .
C1 N1 1.346(6) .
C1 N2 1.360(6) .
C11 C12 1.333(7) .
C11 N5 1.386(6) .
C11 H11 0.9500 .
C9 C10 1.339(7) .
C9 N3 1.374(6) .
C9 H9 0.9500 .
C10 N4 1.388(6) .
C10 H10 0.9500 .
C12 N6 1.381(6) .
C12 H12 0.9500 .
C5 C6 1.333(7) .
C5 N1 1.390(6) .
C5 H5 0.9500 .
C16 C15 1.353(8) .
C16 N8 1.376(6) .
C16 H16 0.9500 .
C15 N7 1.368(6) .
C15 H15 0.9500 .
C13 N6 1.448(6) .
C13 C14 1.521(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C7 N2 1.452(6) .
C7 C8 1.528(6) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C14 N7 1.455(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C6 N2 1.367(6) .
C6 H6 0.9500 .
C8 N3 1.461(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
N1 B2 1.596(7) .
N8 B2 1.589(6) .
N5 B1 1.574(6) .
N4 B1 1.584(6) .
B1 C17 1.618(8) .
B1 C18 1.634(8) .
B2 C19 1.613(8) .
B2 C20 1.622(7) .
C21 N9 1.351(6) .
C21 N10 1.351(6) .
C22 N11 1.341(6) .
C22 N12 1.368(6) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C23 C24 1.340(7) .
C23 N9 1.376(6) .
C23 H23 0.9500 .
C26 N9 1.460(6) .
C26 C30 1.536(6) 2_676
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C25 C28 1.338(7) .
C25 N11 1.385(6) .
C25 H25 0.9500 .
C24 N10 1.387(6) .
C24 H24 0.9500 .
N10 B3 1.589(6) .
N11 B3 1.586(6) .
B3 C29 1.614(7) .
B3 C27 1.646(7) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 N12 1.362(6) .
C28 H28 0.9500 .
N12 C30 1.445(6) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C26 1.536(6) 2_676
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C43 C50 1.493(16) .
C43 C49 1.511(16) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C49 1.475(14) .
C44 C52 1.550(18) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
