#------------------------------------------------------------------------------
#$Date: 2025-11-07 02:15:26 +0200 (Fri, 07 Nov 2025) $
#$Revision: 303219 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/98/7719837.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_7719837
loop_
_publ_author_name
'Zhuo, Qihang'
'Zhang, Jie'
'Xie, Zuowei'
_publ_section_title
;
 Nickel-Catalyzed 1,2-Dialkenylation of o-Carboranes with Alkenyl Bromides
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D5DT02451J
_journal_year                    2025
_chemical_formula_sum            'C16 H32 B10'
_chemical_formula_weight         332.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-25 deposited with the CCDC.	2025-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.734(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1437(9)
_cell_length_b                   11.9311(11)
_cell_length_c                   17.0265(16)
_cell_measurement_reflns_used    973
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     2060.5(3)
_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23928
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.381
_diffrn_reflns_theta_min         4.525
_exptl_absorpt_coefficient_mu    0.364
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5812
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.256
_refine_diff_density_min         -0.176
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0922P)²+0.3305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1478
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3586
_reflns_number_total             3773
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02451j2.cif
_cod_data_source_block           3v
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7719837
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.839
_shelx_estimated_absorpt_t_max   0.899
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 0.59044(11) 0.25743(9) 0.28609(6) 0.0371(3) Uani 1 1 d . . . . .
C2 C 0.58810(10) 0.24083(9) 0.38719(6) 0.0362(3) Uani 1 1 d . . . . .
C11 C 0.48942(12) 0.19383(9) 0.24001(7) 0.0426(3) Uani 1 1 d . . . . .
H11A H 0.498937 0.116330 0.241601 0.051 Uiso 1 1 calc R U . . .
C12 C 0.38771(12) 0.23033(10) 0.19692(7) 0.0444(3) Uani 1 1 d . . . . .
C13 C 0.34218(13) 0.34853(11) 0.18412(8) 0.0510(3) Uani 1 1 d . . . . .
H13A H 0.354926 0.368989 0.129602 0.061 Uiso 1 1 calc R U . . .
H13B H 0.394953 0.398710 0.216469 0.061 Uiso 1 1 calc R U . . .
C14 C 0.19671(15) 0.36237(15) 0.20454(9) 0.0660(4) Uani 1 1 d . . . . .
H14A H 0.186021 0.352136 0.260617 0.079 Uiso 1 1 calc R U . . .
H14B H 0.168456 0.437801 0.191347 0.079 Uiso 1 1 calc R U . . .
C15 C 0.11044(14) 0.27841(17) 0.16058(10) 0.0716(5) Uani 1 1 d . . . . .
H15A H 0.020043 0.285663 0.177775 0.086 Uiso 1 1 calc R U . . .
H15B H 0.112417 0.294503 0.104761 0.086 Uiso 1 1 calc R U . . .
C16 C 0.15752(17) 0.15987(16) 0.17489(10) 0.0741(5) Uani 1 1 d . . . . .
H16A H 0.104646 0.108532 0.143522 0.089 Uiso 1 1 calc R U . . .
H16B H 0.145662 0.140912 0.229748 0.089 Uiso 1 1 calc R U . . .
C17 C 0.30203(15) 0.14601(12) 0.15408(8) 0.0588(4) Uani 1 1 d . . . . .
H17A H 0.330670 0.070848 0.167719 0.071 Uiso 1 1 calc R U . . .
H17B H 0.312120 0.155482 0.097894 0.071 Uiso 1 1 calc R U . . .
C18 C 0.48734(11) 0.16300(9) 0.41926(7) 0.0414(3) Uani 1 1 d . . . . .
H18A H 0.496303 0.088614 0.403898 0.050 Uiso 1 1 calc R U . . .
C19 C 0.38658(12) 0.18324(11) 0.46642(7) 0.0466(3) Uani 1 1 d . . . . .
C20 C 0.30735(14) 0.08576(14) 0.49615(10) 0.0648(4) Uani 1 1 d . . . . .
H20A H 0.323231 0.077399 0.552145 0.078 Uiso 1 1 calc R U . . .
H20B H 0.336755 0.017701 0.470603 0.078 Uiso 1 1 calc R U . . .
C21 C 0.16046(15) 0.10037(16) 0.48115(12) 0.0760(5) Uani 1 1 d . . . . .
H21A H 0.142614 0.098127 0.425066 0.091 Uiso 1 1 calc R U . . .
H21B H 0.113053 0.039053 0.505320 0.091 Uiso 1 1 calc R U . . .
C22 C 0.11210(15) 0.21069(17) 0.51424(10) 0.0739(5) Uani 1 1 d . . . . .
H22A H 0.121179 0.209803 0.571020 0.089 Uiso 1 1 calc R U . . .
H22B H 0.019457 0.220285 0.501111 0.089 Uiso 1 1 calc R U . . .
C23 C 0.19021(15) 0.30784(14) 0.48129(10) 0.0679(4) Uani 1 1 d . . . . .
H23A H 0.160641 0.377041 0.505224 0.081 Uiso 1 1 calc R U . . .
H23B H 0.173609 0.313137 0.425177 0.081 Uiso 1 1 calc R U . . .
C24 C 0.33849(13) 0.29407(13) 0.49633(8) 0.0569(4) Uani 1 1 d . . . . .
H24A H 0.385510 0.354098 0.470391 0.068 Uiso 1 1 calc R U . . .
H24B H 0.356786 0.299421 0.552257 0.068 Uiso 1 1 calc R U . . .
B3 B 0.70606(13) 0.17225(11) 0.33263(7) 0.0396(3) Uani 1 1 d . . . . .
H3 H 0.707936 0.080646 0.325384 0.048 Uiso 1 1 calc R U . . .
B4 B 0.75042(14) 0.26357(12) 0.25573(8) 0.0455(3) Uani 1 1 d . . . . .
H4 H 0.783296 0.231946 0.198539 0.055 Uiso 1 1 calc R U . . .
B5 B 0.65222(14) 0.38571(11) 0.26332(8) 0.0446(3) Uani 1 1 d . . . . .
H5 H 0.621724 0.434153 0.211205 0.054 Uiso 1 1 calc R U . . .
B6 B 0.54650(13) 0.36736(10) 0.34546(8) 0.0408(3) Uani 1 1 d . . . . .
H6 H 0.446029 0.401948 0.346671 0.049 Uiso 1 1 calc R U . . .
B7 B 0.74637(13) 0.23635(11) 0.42340(8) 0.0429(3) Uani 1 1 d . . . . .
H7 H 0.776413 0.187014 0.475187 0.051 Uiso 1 1 calc R U . . .
B8 B 0.85077(14) 0.25258(12) 0.34150(9) 0.0481(3) Uani 1 1 d . . . . .
H8 H 0.949336 0.214253 0.340037 0.058 Uiso 1 1 calc R U . . .
B9 B 0.81739(14) 0.38584(13) 0.29934(9) 0.0516(4) Uani 1 1 d . . . . .
H9 H 0.895002 0.434981 0.270772 0.062 Uiso 1 1 calc R U . . .
B10 B 0.68988(15) 0.45095(11) 0.35437(9) 0.0493(3) Uani 1 1 d . . . . .
H10 H 0.683340 0.542435 0.361315 0.059 Uiso 1 1 calc R U . . .
B11 B 0.64846(14) 0.35841(11) 0.43168(8) 0.0452(3) Uani 1 1 d . . . . .
H11 H 0.615271 0.389170 0.489030 0.054 Uiso 1 1 calc R U . . .
B12 B 0.81504(15) 0.36954(12) 0.40289(9) 0.0508(4) Uani 1 1 d . . . . .
H12 H 0.890543 0.408019 0.441208 0.061 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 '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
_geom_angle_publ_flag
C11 C1 B5 126.24(9) . . ?
C11 C1 B4 120.74(9) . . ?
B5 C1 B4 62.54(8) . . ?
C11 C1 B6 121.11(9) . . ?
B5 C1 B6 63.01(7) . . ?
B4 C1 B6 113.53(9) . . ?
C11 C1 C2 116.53(9) . . ?
B5 C1 C2 109.82(8) . . ?
B4 C1 C2 109.27(8) . . ?
B6 C1 C2 59.73(6) . . ?
C11 C1 B3 113.46(9) . . ?
B5 C1 B3 112.47(9) . . ?
B4 C1 B3 61.64(7) . . ?
B6 C1 B3 110.93(8) . . ?
C2 C1 B3 59.83(6) . . ?
C18 C2 B11 126.47(9) . . ?
C18 C2 B7 119.52(9) . . ?
B11 C2 B7 62.36(7) . . ?
C18 C2 B6 122.21(9) . . ?
B11 C2 B6 62.98(7) . . ?
B7 C2 B6 113.58(9) . . ?
C18 C2 B3 112.61(9) . . ?
B11 C2 B3 112.39(9) . . ?
B7 C2 B3 61.78(7) . . ?
B6 C2 B3 111.18(8) . . ?
C18 C2 C1 116.97(9) . . ?
B11 C2 C1 109.75(8) . . ?
B7 C2 C1 109.65(8) . . ?
B6 C2 C1 59.70(6) . . ?
B3 C2 C1 60.16(6) . . ?
C12 C11 C1 130.26(11) . . ?
C12 C11 H11A 114.9 . . ?
C1 C11 H11A 114.9 . . ?
C11 C12 C13 128.53(11) . . ?
C11 C12 C17 119.02(12) . . ?
C13 C12 C17 112.45(11) . . ?
C12 C13 C14 111.40(12) . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C13 111.58(12) . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 110.99(13) . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 111.56(13) . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C17 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C12 C17 C16 111.42(13) . . ?
C12 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
C12 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C19 C18 C2 130.11(11) . . ?
C19 C18 H18A 114.9 . . ?
C2 C18 H18A 114.9 . . ?
C18 C19 C24 128.36(12) . . ?
C18 C19 C20 118.73(12) . . ?
C24 C19 C20 112.92(12) . . ?
C19 C20 C21 112.44(12) . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C21 C20 H20B 109.1 . . ?
H20A C20 H20B 107.8 . . ?
C22 C21 C20 111.02(15) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 C23 110.69(13) . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 C24 111.90(13) . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C19 C24 C23 111.14(12) . . ?
C19 C24 H24A 109.4 . . ?
C23 C24 H24A 109.4 . . ?
C19 C24 H24B 109.4 . . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C2 B3 C1 60.01(6) . . ?
C2 B3 B8 106.17(9) . . ?
C1 B3 B8 106.17(9) . . ?
C2 B3 B4 106.91(9) . . ?
C1 B3 B4 58.49(7) . . ?
B8 B3 B4 60.46(8) . . ?
C2 B3 B7 58.65(7) . . ?
C1 B3 B7 107.05(9) . . ?
B8 B3 B7 60.36(8) . . ?
B4 B3 B7 108.84(10) . . ?
C2 B3 H3 122.9 . . ?
C1 B3 H3 122.9 . . ?
B8 B3 H3 122.4 . . ?
B4 B3 H3 121.7 . . ?
B7 B3 H3 121.6 . . ?
C1 B4 B3 59.87(7) . . ?
C1 B4 B9 105.61(10) . . ?
B3 B4 B9 107.32(10) . . ?
C1 B4 B5 58.44(7) . . ?
B3 B4 B5 107.74(9) . . ?
B9 B4 B5 60.26(8) . . ?
C1 B4 B8 106.53(9) . . ?
B3 B4 B8 59.54(8) . . ?
B9 B4 B8 60.15(8) . . ?
B5 B4 B8 108.55(10) . . ?
C1 B4 H4 123.5 . . ?
B3 B4 H4 121.8 . . ?
B9 B4 H4 122.4 . . ?
B5 B4 H4 121.6 . . ?
B8 B4 H4 121.7 . . ?
C1 B5 B4 59.02(7) . . ?
C1 B5 B10 105.77(9) . . ?
B4 B5 B10 108.07(10) . . ?
C1 B5 B9 105.71(9) . . ?
B4 B5 B9 59.81(8) . . ?
B10 B5 B9 60.39(8) . . ?
C1 B5 B6 58.97(7) . . ?
B4 B5 B6 107.46(9) . . ?
B10 B5 B6 59.59(8) . . ?
B9 B5 B6 107.62(10) . . ?
C1 B5 H5 123.8 . . ?
B4 B5 H5 121.7 . . ?
B10 B5 H5 122.0 . . ?
B9 B5 H5 122.2 . . ?
B6 B5 H5 122.0 . . ?
C1 B6 C2 60.57(6) . . ?
C1 B6 B10 105.17(9) . . ?
C2 B6 B10 105.23(9) . . ?
C1 B6 B5 58.01(7) . . ?
C2 B6 B5 106.54(9) . . ?
B10 B6 B5 59.79(8) . . ?
C1 B6 B11 106.61(9) . . ?
C2 B6 B11 58.12(7) . . ?
B10 B6 B11 59.79(8) . . ?
B5 B6 B11 107.66(10) . . ?
C1 B6 H6 123.0 . . ?
C2 B6 H6 123.0 . . ?
B10 B6 H6 123.2 . . ?
B5 B6 H6 122.3 . . ?
B11 B6 H6 122.2 . . ?
C2 B7 B3 59.58(7) . . ?
C2 B7 B11 58.58(7) . . ?
B3 B7 B11 107.58(9) . . ?
C2 B7 B12 105.67(9) . . ?
B3 B7 B12 107.63(10) . . ?
B11 B7 B12 60.00(8) . . ?
C2 B7 B8 106.26(9) . . ?
B3 B7 B8 59.55(8) . . ?
B11 B7 B8 108.33(10) . . ?
B12 B7 B8 60.44(8) . . ?
C2 B7 H7 123.6 . . ?
B3 B7 H7 121.9 . . ?
B11 B7 H7 121.8 . . ?
B12 B7 H7 122.2 . . ?
B8 B7 H7 121.8 . . ?
B3 B8 B7 60.09(8) . . ?
B3 B8 B4 60.00(8) . . ?
B7 B8 B4 108.27(10) . . ?
B3 B8 B9 107.39(9) . . ?
B7 B8 B9 107.64(10) . . ?
B4 B8 B9 59.77(8) . . ?
B3 B8 B12 107.53(10) . . ?
B7 B8 B12 59.76(8) . . ?
B4 B8 B12 107.81(10) . . ?
B9 B8 B12 59.81(8) . . ?
B3 B8 H8 122.0 . . ?
B7 B8 H8 121.7 . . ?
B4 B8 H8 121.6 . . ?
B9 B8 H8 122.1 . . ?
B12 B8 H8 122.0 . . ?
B4 B9 B12 108.47(10) . . ?
B4 B9 B8 60.08(8) . . ?
B12 B9 B8 60.33(8) . . ?
B4 B9 B5 59.93(8) . . ?
B12 B9 B5 108.56(10) . . ?
B8 B9 B5 108.23(10) . . ?
B4 B9 B10 107.60(10) . . ?
B12 B9 B10 60.46(9) . . ?
B8 B9 B10 108.26(10) . . ?
B5 B9 B10 59.67(8) . . ?
B4 B9 H9 121.8 . . ?
B12 B9 H9 121.1 . . ?
B8 B9 H9 121.5 . . ?
B5 B9 H9 121.7 . . ?
B10 B9 H9 121.9 . . ?
B6 B10 B5 60.62(7) . . ?
B6 B10 B11 60.66(8) . . ?
B5 B10 B11 109.00(9) . . ?
B6 B10 B9 108.07(9) . . ?
B5 B10 B9 59.94(8) . . ?
B11 B10 B9 107.40(10) . . ?
B6 B10 B12 108.12(9) . . ?
B5 B10 B12 107.99(10) . . ?
B11 B10 B12 59.56(8) . . ?
B9 B10 B12 59.48(8) . . ?
B6 B10 H10 121.2 . . ?
B5 B10 H10 121.2 . . ?
B11 B10 H10 121.5 . . ?
B9 B10 H10 122.2 . . ?
B12 B10 H10 122.1 . . ?
C2 B11 B7 59.07(7) . . ?
C2 B11 B12 106.11(9) . . ?
B7 B11 B12 60.06(8) . . ?
C2 B11 B10 105.66(9) . . ?
B7 B11 B10 108.35(10) . . ?
B12 B11 B10 60.76(8) . . ?
C2 B11 B6 58.90(7) . . ?
B7 B11 B6 107.64(9) . . ?
B12 B11 B6 108.20(10) . . ?
B10 B11 B6 59.55(7) . . ?
C2 B11 H11 123.8 . . ?
B7 B11 H11 121.6 . . ?
B12 B11 H11 121.7 . . ?
B10 B11 H11 122.0 . . ?
B6 B11 H11 121.9 . . ?
B11 B12 B7 59.94(8) . . ?
B11 B12 B9 107.95(10) . . ?
B7 B12 B9 107.73(10) . . ?
B11 B12 B8 107.78(9) . . ?
B7 B12 B8 59.81(8) . . ?
B9 B12 B8 59.86(9) . . ?
B11 B12 B10 59.68(8) . . ?
B7 B12 B10 107.40(9) . . ?
B9 B12 B10 60.06(9) . . ?
B8 B12 B10 107.57(10) . . ?
B11 B12 H12 121.8 . . ?
B7 B12 H12 122.0 . . ?
B9 B12 H12 121.7 . . ?
B8 B12 H12 121.9 . . ?
B10 B12 H12 122.1 . . ?
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
C1 C11 1.4902(15) . ?
C1 B5 1.7005(16) . ?
C1 B4 1.7111(18) . ?
C1 B6 1.7181(16) . ?
C1 C2 1.7332(15) . ?
C1 B3 1.7357(16) . ?
C2 C18 1.4898(15) . ?
C2 B11 1.7044(16) . ?
C2 B7 1.7132(16) . ?
C2 B6 1.7188(16) . ?
C2 B3 1.7300(16) . ?
C11 C12 1.3315(17) . ?
C11 H11A 0.9300 . ?
C12 C13 1.4991(17) . ?
C12 C17 1.5110(17) . ?
C13 C14 1.529(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.521(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.511(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.521(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.3299(18) . ?
C18 H18A 0.9300 . ?
C19 C24 1.5007(19) . ?
C19 C20 1.5051(18) . ?
C20 C21 1.519(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.516(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.516(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.531(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
B3 B8 1.7580(19) . ?
B3 B4 1.7661(18) . ?
B3 B7 1.7677(18) . ?
B3 H3 1.1000 . ?
B4 B9 1.769(2) . ?
B4 B5 1.7709(19) . ?
B4 B8 1.774(2) . ?
B4 H4 1.1000 . ?
B5 B10 1.772(2) . ?
B5 B9 1.777(2) . ?
B5 B6 1.7867(19) . ?
B5 H5 1.1000 . ?
B6 B10 1.7684(19) . ?
B6 B11 1.7881(18) . ?
B6 H6 1.1000 . ?
B7 B11 1.7694(19) . ?
B7 B12 1.7716(19) . ?
B7 B8 1.772(2) . ?
B7 H7 1.1000 . ?
B8 B9 1.775(2) . ?
B8 B12 1.784(2) . ?
B8 H8 1.1000 . ?
B9 B12 1.774(2) . ?
B9 B10 1.785(2) . ?
B9 H9 1.1000 . ?
B10 B11 1.773(2) . ?
B10 B12 1.792(2) . ?
B10 H10 1.1000 . ?
B11 B12 1.770(2) . ?
B11 H11 1.1000 . ?
B12 H12 1.1000 . ?
