#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/28/7012890.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_7012890
loop_
_publ_author_name
'Jörg Haberecht'
'Anja Krummland'
'Frank Breher'
'Björn Gebhardt'
'Heinz Rüegger'
'Reinhard Nesper'
'Hansjörg Grützmacher'
_publ_section_title
;
 Functionalized borazines as precursors for new silica gels
;
_journal_issue                   11
_journal_name_full               'Dalton Trans.'
_journal_page_first              2126
_journal_page_last               2132
_journal_paper_doi               10.1039/b302275g
_journal_year                    2003
_chemical_formula_sum            'C15 H30 B3 N3 Si3'
_chemical_formula_weight         369.12
_chemical_name_common
B-(tris(trimethylsilyl)ethynyl)-borazine&#x00A0;
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.7390(10)
_cell_length_b                   23.8630(10)
_cell_length_c                   12.3450(10)
_cell_measurement_temperature    193(2)
_cell_volume                     4931.1(5)
_computing_molecular_graphics    'Ortep32, POV-Ray for Windows'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS System'
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0150
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21962
_diffrn_reflns_theta_full        24.93
_diffrn_reflns_theta_max         24.93
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.233
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.037
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4273
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          4.522
_refine_ls_shift/su_mean         0.141
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0838P)²+0.2420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                4005
_reflns_number_total             4273
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302275g.txt
_cod_data_source_block           B-(tris(trimethylsilyl)ethynyl)-borazine_(4b)
_cod_original_sg_symbol_H-M      Iba2
_cod_database_code               7012890
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1, -y+1, z+1/2'
'-x+1, y+1, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.19962(11) 0.27416(9) -0.11599(17) 0.0354(4) Uani 1 1 d . . .
N1 N 0.25019(12) 0.30409(6) -0.18777(14) 0.0390(3) Uani 1 1 d . . .
H1 H 0.2503 0.3401 -0.1847 0.047 Uiso 1 1 calc R . .
C11 C 0.13884(11) 0.30470(7) -0.04154(16) 0.0395(4) Uani 1 1 d . . .
C12 C 0.08686(11) 0.32676(8) 0.00915(16) 0.0416(4) Uani 1 1 d . A .
Si1 Si 0.00223(3) 0.35810(3) 0.08405(6) 0.05133(17) Uani 1 1 d . . .
C13 C -0.0765(7) 0.3701(8) -0.0095(7) 0.221(9) Uani 0.66(3) 1 d P A 1
H13A H -0.0601 0.3978 -0.0614 0.265 Uiso 0.66(3) 1 calc PR A 1
H13B H -0.1228 0.3832 0.0287 0.265 Uiso 0.66(3) 1 calc PR A 1
H13C H -0.0890 0.3358 -0.0463 0.265 Uiso 0.66(3) 1 calc PR A 1
C13B C -0.0864(9) 0.3505(19) 0.002(3) 0.33(3) Uani 0.34(3) 1 d P A 2
H13D H -0.1279 0.3333 0.0441 0.393 Uiso 0.34(3) 1 calc PR A 2
H13E H -0.0746 0.3274 -0.0596 0.393 Uiso 0.34(3) 1 calc PR A 2
H13F H -0.1038 0.3867 -0.0222 0.393 Uiso 0.34(3) 1 calc PR A 2
C14 C 0.0377(3) 0.42332(16) 0.1452(5) 0.1284(18) Uani 1 1 d . A .
H14A H 0.0563 0.4481 0.0894 0.154 Uiso 1 1 calc R . .
H14B H 0.0807 0.4153 0.1943 0.154 Uiso 1 1 calc R . .
H14C H -0.0052 0.4408 0.1840 0.154 Uiso 1 1 calc R . .
C15 C -0.0247(3) 0.30986(17) 0.1962(4) 0.1226(17) Uani 1 1 d . A .
H15A H -0.0754 0.3206 0.2259 0.147 Uiso 1 1 calc R . .
H15B H 0.0154 0.3118 0.2517 0.147 Uiso 1 1 calc R . .
H15C H -0.0279 0.2722 0.1691 0.147 Uiso 1 1 calc R . .
B2 B 0.30068(12) 0.27728(9) -0.26464(18) 0.0378(4) Uani 1 1 d . . .
N2 N 0.29693(9) 0.21765(6) -0.26937(14) 0.0401(4) Uani 1 1 d . . .
H2 H 0.3241 0.2006 -0.3185 0.048 Uiso 1 1 calc R . .
C21 C 0.35885(11) 0.31008(7) -0.33777(16) 0.0408(4) Uani 1 1 d . . .
C22 C 0.40984(11) 0.33318(8) -0.39083(16) 0.0429(4) Uani 1 1 d . B .
Si2 Si 0.49185(3) 0.36552(3) -0.46827(6) 0.05174(17) Uani 1 1 d . . .
C23 C 0.4462(3) 0.4250(2) -0.5430(7) 0.0794(19) Uani 0.675(15) 1 d P B 1
H23A H 0.4229 0.4508 -0.4924 0.095 Uiso 0.675(15) 1 calc PR B 1
H23B H 0.4056 0.4111 -0.5908 0.095 Uiso 0.675(15) 1 calc PR B 1
H23C H 0.4866 0.4438 -0.5845 0.095 Uiso 0.675(15) 1 calc PR B 1
C23B C 0.4726(11) 0.3788(18) -0.5947(12) 0.21(2) Uani 0.325(15) 1 d P B 2
H23D H 0.4293 0.4050 -0.5993 0.252 Uiso 0.325(15) 1 calc PR B 2
H23E H 0.4581 0.3447 -0.6310 0.252 Uiso 0.325(15) 1 calc PR B 2
H23F H 0.5192 0.3945 -0.6285 0.252 Uiso 0.325(15) 1 calc PR B 2
C24 C 0.5855(9) 0.3234(7) -0.452(2) 0.194(15) Uani 0.340(10) 1 d P B 1
H24A H 0.6299 0.3440 -0.4810 0.233 Uiso 0.340(10) 1 calc PR B 1
H24B H 0.5801 0.2886 -0.4907 0.233 Uiso 0.340(10) 1 calc PR B 1
H24C H 0.5945 0.3159 -0.3768 0.233 Uiso 0.340(10) 1 calc PR B 1
C24B C 0.5222(4) 0.3129(2) -0.5766(5) 0.089(2) Uani 0.660(10) 1 d P B 2
H24D H 0.5476 0.3322 -0.6355 0.107 Uiso 0.660(10) 1 calc PR B 2
H24E H 0.4756 0.2938 -0.6028 0.107 Uiso 0.660(10) 1 calc PR B 2
H24F H 0.5587 0.2862 -0.5461 0.107 Uiso 0.660(10) 1 calc PR B 2
C25 C 0.5126(16) 0.4379(8) -0.3944(18) 0.120(12) Uani 0.232(13) 1 d P B 1
H25A H 0.5691 0.4425 -0.3842 0.144 Uiso 0.232(13) 1 calc PR B 1
H25B H 0.4864 0.4381 -0.3252 0.144 Uiso 0.232(13) 1 calc PR B 1
H25C H 0.4924 0.4680 -0.4379 0.144 Uiso 0.232(13) 1 calc PR B 1
C25B C 0.5684(4) 0.3873(5) -0.3789(5) 0.161(6) Uani 0.768(13) 1 d P B 2
H25D H 0.5494 0.4176 -0.3349 0.193 Uiso 0.768(13) 1 calc PR B 2
H25E H 0.6139 0.3994 -0.4200 0.193 Uiso 0.768(13) 1 calc PR B 2
H25F H 0.5835 0.3565 -0.3332 0.193 Uiso 0.768(13) 1 calc PR B 2
B3 B 0.25013(15) 0.18499(9) -0.1963(2) 0.0396(4) Uani 1 1 d . . .
N3 N 0.20370(8) 0.21471(6) -0.11901(14) 0.0401(4) Uani 1 1 d . . .
H3 H 0.1769 0.1959 -0.0720 0.048 Uiso 1 1 calc R . .
C31 C 0.25041(13) 0.12040(8) -0.20360(18) 0.0432(4) Uani 1 1 d . . .
C32 C 0.25049(14) 0.06996(8) -0.21339(17) 0.0474(5) Uani 1 1 d . . .
Si3 Si 0.25116(3) -0.00599(2) -0.23820(7) 0.05084(17) Uani 1 1 d . . .
C33 C 0.15856(19) -0.03738(10) -0.1823(3) 0.0785(9) Uani 1 1 d . . .
H33A H 0.1632 -0.0405 -0.1050 0.094 Uiso 1 1 calc R . .
H33B H 0.1508 -0.0739 -0.2130 0.094 Uiso 1 1 calc R . .
H33C H 0.1138 -0.0140 -0.2000 0.094 Uiso 1 1 calc R . .
C34 C 0.25461(19) -0.01793(16) -0.3861(3) 0.0917(10) Uani 1 1 d . . .
H34A H 0.2086 -0.0012 -0.4194 0.110 Uiso 1 1 calc R . .
H34B H 0.2549 -0.0575 -0.4004 0.110 Uiso 1 1 calc R . .
H34C H 0.3022 -0.0013 -0.4153 0.110 Uiso 1 1 calc R . .
C35 C 0.34188(18) -0.03584(11) -0.1728(3) 0.0775(8) Uani 1 1 d . . .
H35A H 0.3877 -0.0140 -0.1926 0.093 Uiso 1 1 calc R . .
H35B H 0.3492 -0.0738 -0.1964 0.093 Uiso 1 1 calc R . .
H35C H 0.3355 -0.0351 -0.0955 0.093 Uiso 1 1 calc R . .
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'
Si Si 0.0817 0.0704 '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
N1 B1 N3 117.24(16) . . ?
N1 B1 C11 121.63(16) . . ?
N3 B1 C11 121.05(16) . . ?
B1 N1 B2 123.01(14) . . ?
B1 N1 H1 118.5 . . ?
B2 N1 H1 118.5 . . ?
C12 C11 B1 174.0(2) . . ?
C11 C12 Si1 176.72(19) . . ?
C13 Si1 C14 111.9(7) . . ?
C13B Si1 C14 125.7(13) . . ?
C13 Si1 C12 108.0(3) . . ?
C13B Si1 C12 107.9(7) . . ?
C14 Si1 C12 107.56(14) . . ?
C13 Si1 C15 113.9(7) . . ?
C13B Si1 C15 99.0(17) . . ?
C14 Si1 C15 107.4(3) . . ?
C12 Si1 C15 107.94(13) . . ?
Si1 C13 H13A 109.4 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.6 . . ?
Si1 C13B H13D 121.8 . . ?
Si1 C13B H13E 121.8 . . ?
H13D C13B H13E 94.9 . . ?
Si1 C13B H13F 121.2 . . ?
H13D C13B H13F 95.2 . . ?
H13E C13B H13F 95.1 . . ?
Si1 C14 H14A 109.6 . . ?
Si1 C14 H14B 109.3 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.4 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 B2 N2 116.75(16) . . ?
N1 B2 C21 122.52(16) . . ?
N2 B2 C21 120.71(16) . . ?
B2 N2 B3 122.93(16) . . ?
B2 N2 H2 118.5 . . ?
B3 N2 H2 118.5 . . ?
C22 C21 B2 174.2(2) . . ?
C21 C22 Si2 176.64(18) . . ?
C23B Si2 C25B 133.3(6) . . ?
C22 Si2 C23 105.76(18) . . ?
C22 Si2 C24 110.1(4) . . ?
C23 Si2 C24 143.8(5) . . ?
C23B Si2 C24B 60.5(16) . . ?
C25B Si2 C24B 116.0(4) . . ?
C22 Si2 C25 104.9(4) . . ?
C23 Si2 C25 68.6(10) . . ?
C24 Si2 C25 105.8(13) . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
Si2 C23B H23D 110.0 . . ?
Si2 C23B H23E 110.2 . . ?
H23D C23B H23E 108.8 . . ?
Si2 C23B H23F 110.0 . . ?
H23D C23B H23F 108.9 . . ?
H23E C23B H23F 108.9 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.3 . . ?
Si2 C24 H24C 109.8 . . ?
Si2 C24B H24D 109.5 . . ?
Si2 C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
Si2 C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
Si2 C25 H25A 109.6 . . ?
Si2 C25 H25B 109.5 . . ?
Si2 C25 H25C 109.4 . . ?
Si2 C25B H25D 109.7 . . ?
Si2 C25B H25E 109.4 . . ?
H25D C25B H25E 109.5 . . ?
Si2 C25B H25F 109.3 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
N3 B3 N2 116.90(16) . . ?
N3 B3 C31 122.7(2) . . ?
N2 B3 C31 120.4(2) . . ?
B3 N3 B1 122.86(16) . . ?
B3 N3 H3 118.6 . . ?
B1 N3 H3 118.6 . . ?
C32 C31 B3 177.6(2) . . ?
C31 C32 Si3 176.13(19) . . ?
C32 Si3 C34 108.46(15) . . ?
C32 Si3 C33 109.34(11) . . ?
C34 Si3 C33 109.34(16) . . ?
C32 Si3 C35 108.05(12) . . ?
C34 Si3 C35 110.12(16) . . ?
C33 Si3 C35 111.46(16) . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.4 . . ?
H34A C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.4 . . ?
H35A C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
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
B1 N1 1.418(3) . ?
B1 N3 1.421(3) . ?
B1 C11 1.553(3) . ?
N1 B2 1.423(3) . ?
N1 H1 0.8600 . ?
C11 C12 1.194(3) . ?
C12 Si1 1.8496(19) . ?
Si1 C13 1.775(7) . ?
Si1 C13B 1.805(15) . ?
Si1 C14 1.829(4) . ?
Si1 C15 1.856(4) . ?
C13 H13A 0.9601 . ?
C13 H13B 0.9601 . ?
C13 H13C 0.9601 . ?
C13B H13D 1.1154 . ?
C13B H13E 1.1148 . ?
C13B H13F 1.1080 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9599 . ?
C15 H15B 0.9599 . ?
C15 H15C 0.9599 . ?
B2 N2 1.426(3) . ?
B2 C21 1.541(3) . ?
N2 B3 1.427(3) . ?
N2 H2 0.8600 . ?
C21 C22 1.209(3) . ?
C22 Si2 1.8423(19) . ?
Si2 C23B 1.625(11) . ?
Si2 C25B 1.769(4) . ?
Si2 C23 1.857(4) . ?
Si2 C24 1.873(13) . ?
Si2 C24B 1.904(5) . ?
Si2 C25 1.983(13) . ?
C23 H23A 0.9599 . ?
C23 H23B 0.9599 . ?
C23 H23C 0.9599 . ?
C23B H23D 0.9665 . ?
C23B H23E 0.9667 . ?
C23B H23F 0.9665 . ?
C24 H24A 0.9606 . ?
C24 H24B 0.9606 . ?
C24 H24C 0.9606 . ?
C24B H24D 0.9599 . ?
C24B H24E 0.9599 . ?
C24B H24F 0.9599 . ?
C25 H25A 0.9602 . ?
C25 H25B 0.9602 . ?
C25 H25C 0.9602 . ?
C25B H25D 0.9601 . ?
C25B H25E 0.9601 . ?
C25B H25F 0.9601 . ?
B3 N3 1.420(3) . ?
B3 C31 1.544(3) . ?
N3 H3 0.8600 . ?
C31 C32 1.210(3) . ?
C32 Si3 1.838(2) . ?
Si3 C34 1.849(3) . ?
Si3 C33 1.855(3) . ?
Si3 C35 1.862(3) . ?
C33 H33A 0.9599 . ?
C33 H33B 0.9599 . ?
C33 H33C 0.9599 . ?
C34 H34A 0.9599 . ?
C34 H34B 0.9599 . ?
C34 H34C 0.9599 . ?
C35 H35A 0.9599 . ?
C35 H35B 0.9599 . ?
C35 H35C 0.9599 . ?
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
N3 B1 N1 B2 3.2(3) . . . . ?
C11 B1 N1 B2 -173.50(17) . . . . ?
N1 B1 C11 C12 102.3(18) . . . . ?
N3 B1 C11 C12 -74.3(19) . . . . ?
B1 C11 C12 Si1 24(5) . . . . ?
C11 C12 Si1 C13 -47(3) . . . . ?
C11 C12 Si1 C13B -30(4) . . . . ?
C11 C12 Si1 C14 -168(3) . . . . ?
C11 C12 Si1 C15 76(3) . . . . ?
B1 N1 B2 N2 1.8(3) . . . . ?
B1 N1 B2 C21 -176.47(17) . . . . ?
N1 B2 N2 B3 -4.7(3) . . . . ?
C21 B2 N2 B3 173.60(19) . . . . ?
N1 B2 C21 C22 118.8(18) . . . . ?
N2 B2 C21 C22 -59.4(19) . . . . ?
B2 C21 C22 Si2 7(5) . . . . ?
C21 C22 Si2 C23B 136(4) . . . . ?
C21 C22 Si2 C25B -56(3) . . . . ?
C21 C22 Si2 C23 -177(100) . . . . ?
C21 C22 Si2 C24 8(3) . . . . ?
C21 C22 Si2 C24B 71(3) . . . . ?
C21 C22 Si2 C25 -106(3) . . . . ?
B2 N2 B3 N3 2.4(3) . . . . ?
B2 N2 B3 C31 -178.29(19) . . . . ?
N2 B3 N3 B1 3.1(3) . . . . ?
C31 B3 N3 B1 -176.2(2) . . . . ?
N1 B1 N3 B3 -5.8(3) . . . . ?
C11 B1 N3 B3 170.95(19) . . . . ?
N3 B3 C31 C32 137(6) . . . . ?
N2 B3 C31 C32 -43(6) . . . . ?
B3 C31 C32 Si3 7(8) . . . . ?
C31 C32 Si3 C34 -3(3) . . . . ?
C31 C32 Si3 C33 -122(3) . . . . ?
C31 C32 Si3 C35 117(3) . . . . ?
