#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:54:14 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224362 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/05/7700523.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_7700523
loop_
_publ_author_name
'Yuvaraj, K.'
'Jones, Cameron'
_publ_section_title
;
 Synthesis and reactivity of boryl substituted silaimines.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11961
_journal_page_last               11965
_journal_paper_doi               10.1039/c9dt02657f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C36 H56 B N5 Si'
_chemical_formula_weight         597.75
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-07-10 deposited with the CCDC.    2019-07-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.0450(5)
_cell_length_b                   12.0661(2)
_cell_length_c                   29.3699(6)
_cell_measurement_reflns_used    12313
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      77.3790
_cell_measurement_theta_min      4.4120
_cell_volume                     7103.6(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    xseed
_computing_publication_material  Ciftab
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0982
_diffrn_reflns_av_unetI/netI     0.0648
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36803
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.999
_diffrn_reflns_theta_min         3.009
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       block
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.914
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6608
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0770
_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)+(0.1031P)²+7.2835P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2045
_refine_ls_wR_factor_ref         0.2121
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5475
_reflns_number_total             6608
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02657f2.cif
_cod_data_source_block           Cj1371
_cod_depositor_comments
'Adding full bibliography for 7700519--7700526.cif.'
_cod_database_code               7700523
_shelx_shelxl_version_number     2016/6
_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   0.869
_shelx_estimated_absorpt_t_max   0.903
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -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
Si1 Si 0.54167(3) 0.55337(6) 0.46664(2) 0.0229(2) Uani 1 1 d . .
N1 N 0.52377(11) 0.53201(18) 0.33004(7) 0.0249(5) Uani 1 1 d . .
C1 C 0.49958(15) 0.5862(2) 0.29101(9) 0.0301(6) Uani 1 1 d . .
H11 H 0.502158 0.557836 0.260885 0.036 Uiso 1 1 calc R U
B1 B 0.51158(14) 0.6028(2) 0.37007(10) 0.0230(6) Uani 1 1 d . .
N2 N 0.47741(11) 0.69794(18) 0.34942(7) 0.0242(5) Uani 1 1 d . .
C2 C 0.47250(14) 0.6832(2) 0.30248(9) 0.0294(6) Uani 1 1 d . .
H12 H 0.452892 0.734279 0.281838 0.035 Uiso 1 1 calc R U
N3 N 0.52906(11) 0.58674(19) 0.41560(7) 0.0286(5) Uani 1 1 d . .
C3 C 0.54935(14) 0.4216(2) 0.32573(8) 0.0261(6) Uani 1 1 d . .
N4 N 0.48717(11) 0.59223(18) 0.51796(7) 0.0261(5) Uani 1 1 d . .
C4 C 0.61811(15) 0.4061(3) 0.31925(9) 0.0336(6) Uani 1 1 d . .
N5 N 0.61558(11) 0.58692(19) 0.49420(8) 0.0296(5) Uani 1 1 d . .
C5 C 0.64152(16) 0.2978(3) 0.31448(10) 0.0391(7) Uani 1 1 d . .
H29 H 0.687974 0.285547 0.310507 0.047 Uiso 1 1 calc R U
C6 C 0.59883(18) 0.2083(3) 0.31538(10) 0.0419(8) Uani 1 1 d . .
H28 H 0.615955 0.135244 0.312276 0.050 Uiso 1 1 calc R U
C7 C 0.53139(17) 0.2248(3) 0.32079(10) 0.0372(7) Uani 1 1 d . .
H27 H 0.502343 0.162607 0.321152 0.045 Uiso 1 1 calc R U
C8 C 0.50447(15) 0.3318(2) 0.32580(8) 0.0292(6) Uani 1 1 d . .
C9 C 0.66501(16) 0.5043(3) 0.31447(13) 0.0483(8) Uani 1 1 d . .
H34 H 0.648196 0.564906 0.334641 0.058 Uiso 1 1 calc R U
C10 C 0.6646(2) 0.5473(4) 0.26547(16) 0.0725(13) Uani 1 1 d . .
H35A H 0.680903 0.489231 0.244971 0.109 Uiso 1 1 calc R U
H35B H 0.693697 0.612403 0.263196 0.109 Uiso 1 1 calc R U
H35C H 0.619054 0.567937 0.256870 0.109 Uiso 1 1 calc R U
C11 C 0.73660(18) 0.4783(4) 0.32853(17) 0.0686(12) Uani 1 1 d . .
H36A H 0.736448 0.439115 0.357764 0.103 Uiso 1 1 calc R U
H36B H 0.761768 0.547510 0.331548 0.103 Uiso 1 1 calc R U
H36C H 0.757563 0.431480 0.305309 0.103 Uiso 1 1 calc R U
C12 C 0.42948(15) 0.3481(3) 0.32931(10) 0.0348(6) Uani 1 1 d . .
H31 H 0.421135 0.417948 0.346760 0.042 Uiso 1 1 calc R U
C13 C 0.39403(17) 0.2530(3) 0.35411(11) 0.0449(8) Uani 1 1 d . .
H33A H 0.393671 0.187079 0.334608 0.067 Uiso 1 1 calc R U
H33B H 0.348064 0.274828 0.361075 0.067 Uiso 1 1 calc R U
H33C H 0.417717 0.236260 0.382477 0.067 Uiso 1 1 calc R U
C14 C 0.39814(17) 0.3611(3) 0.28206(11) 0.0483(8) Uani 1 1 d . .
H32A H 0.419266 0.423307 0.266144 0.072 Uiso 1 1 calc R U
H32B H 0.350252 0.375521 0.285249 0.072 Uiso 1 1 calc R U
H32C H 0.404852 0.292914 0.264545 0.072 Uiso 1 1 calc R U
C15 C 0.44317(14) 0.7895(2) 0.36959(8) 0.0262(6) Uani 1 1 d . .
C16 C 0.37315(14) 0.7907(3) 0.36883(9) 0.0332(6) Uani 1 1 d . .
C17 C 0.34013(16) 0.8825(3) 0.38685(11) 0.0418(7) Uani 1 1 d . .
H17 H 0.292766 0.884969 0.386306 0.050 Uiso 1 1 calc R U
C18 C 0.37506(18) 0.9695(3) 0.40535(11) 0.0456(8) Uani 1 1 d . .
H16 H 0.351785 1.031187 0.417686 0.055 Uiso 1 1 calc R U
C19 C 0.44401(18) 0.9675(3) 0.40607(11) 0.0412(7) Uani 1 1 d . .
H15 H 0.467599 1.028005 0.419100 0.049 Uiso 1 1 calc R U
C20 C 0.47967(15) 0.8783(2) 0.38803(9) 0.0305(6) Uani 1 1 d . .
C21 C 0.33293(15) 0.6966(3) 0.34848(11) 0.0429(8) Uani 1 1 d . .
H22 H 0.364959 0.637288 0.339081 0.051 Uiso 1 1 calc R U
C22 C 0.28377(18) 0.6453(4) 0.38221(13) 0.0552(10) Uani 1 1 d . .
H23A H 0.308259 0.615740 0.408402 0.083 Uiso 1 1 calc R U
H23B H 0.259212 0.585231 0.367276 0.083 Uiso 1 1 calc R U
H23C H 0.252307 0.702144 0.392570 0.083 Uiso 1 1 calc R U
C23 C 0.2956(2) 0.7350(4) 0.30569(13) 0.0643(12) Uani 1 1 d . .
H24A H 0.263069 0.792192 0.313997 0.096 Uiso 1 1 calc R U
H24B H 0.272335 0.671851 0.291980 0.096 Uiso 1 1 calc R U
H24C H 0.327524 0.765577 0.283759 0.096 Uiso 1 1 calc R U
C24 C 0.55554(16) 0.8764(2) 0.38710(10) 0.0362(7) Uani 1 1 d . .
H19 H 0.570305 0.802206 0.398494 0.043 Uiso 1 1 calc R U
C25 C 0.5808(2) 0.8888(3) 0.33823(13) 0.0558(10) Uani 1 1 d . .
H21A H 0.562783 0.828619 0.319466 0.084 Uiso 1 1 calc R U
H21B H 0.629635 0.885406 0.337986 0.084 Uiso 1 1 calc R U
H21C H 0.566124 0.960202 0.325908 0.084 Uiso 1 1 calc R U
C26 C 0.58804(18) 0.9647(3) 0.41720(12) 0.0463(8) Uani 1 1 d . .
H20A H 0.576558 1.038492 0.405678 0.069 Uiso 1 1 calc R U
H20B H 0.636598 0.955287 0.416697 0.069 Uiso 1 1 calc R U
H20C H 0.571783 0.956877 0.448505 0.069 Uiso 1 1 calc R U
C27 C 0.53831(14) 0.6097(2) 0.55347(9) 0.0298(6) Uani 1 1 d . .
H2 H 0.526694 0.623289 0.584322 0.036 Uiso 1 1 calc R U
C28 C 0.60152(15) 0.6053(2) 0.53983(10) 0.0333(6) Uani 1 1 d . .
H1 H 0.636724 0.614709 0.561137 0.040 Uiso 1 1 calc R U
C29 C 0.43998(15) 0.6931(2) 0.51549(9) 0.0304(6) Uani 1 1 d . .
C30 C 0.48174(17) 0.7951(2) 0.50530(11) 0.0388(7) Uani 1 1 d . .
H4A H 0.513797 0.806889 0.530017 0.058 Uiso 1 1 calc R U
H4B H 0.452547 0.859913 0.502686 0.058 Uiso 1 1 calc R U
H4C H 0.505832 0.784255 0.476603 0.058 Uiso 1 1 calc R U
C31 C 0.39070(15) 0.6744(3) 0.47665(10) 0.0344(6) Uani 1 1 d . .
H6A H 0.415198 0.655784 0.448802 0.052 Uiso 1 1 calc R U
H6B H 0.364659 0.742067 0.471666 0.052 Uiso 1 1 calc R U
H6C H 0.360585 0.613358 0.484522 0.052 Uiso 1 1 calc R U
C32 C 0.40226(17) 0.7052(3) 0.56008(10) 0.0411(7) Uani 1 1 d . .
H5A H 0.377770 0.636699 0.566492 0.062 Uiso 1 1 calc R U
H5B H 0.370752 0.767082 0.557728 0.062 Uiso 1 1 calc R U
H5C H 0.433923 0.719788 0.584796 0.062 Uiso 1 1 calc R U
C33 C 0.68170(15) 0.6279(3) 0.47726(10) 0.0378(7) Uani 1 1 d . .
C34 C 0.68822(19) 0.7512(3) 0.48760(16) 0.0579(10) Uani 1 1 d . .
H10A H 0.650996 0.791348 0.473598 0.087 Uiso 1 1 calc R U
H10B H 0.730447 0.778937 0.475230 0.087 Uiso 1 1 calc R U
H10C H 0.687410 0.762644 0.520634 0.087 Uiso 1 1 calc R U
C35 C 0.73780(16) 0.5642(3) 0.50045(14) 0.0538(9) Uani 1 1 d . .
H9A H 0.733236 0.570843 0.533562 0.081 Uiso 1 1 calc R U
H9B H 0.780902 0.594802 0.490973 0.081 Uiso 1 1 calc R U
H9C H 0.735366 0.485876 0.491748 0.081 Uiso 1 1 calc R U
C36 C 0.68667(19) 0.6110(4) 0.42633(13) 0.0608(11) Uani 1 1 d . .
H8A H 0.682343 0.531898 0.419324 0.091 Uiso 1 1 calc R U
H8B H 0.729999 0.637908 0.415536 0.091 Uiso 1 1 calc R U
H8C H 0.650886 0.652159 0.411137 0.091 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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
N3 Si1 N5 121.46(12) . .
N3 Si1 N4 114.45(11) . 5_666
N5 Si1 N4 111.31(11) . 5_666
N3 Si1 N4 126.48(11) . .
N5 Si1 N4 93.59(10) . .
N4 Si1 N4 82.31(10) 5_666 .
C1 N1 C3 118.9(2) . .
C1 N1 B1 108.9(2) . .
C3 N1 B1 132.0(2) . .
C2 C1 N1 110.0(2) . .
C2 C1 H11 125.0 . .
N1 C1 H11 125.0 . .
N3 B1 N2 128.4(2) . .
N3 B1 N1 130.0(2) . .
N2 B1 N1 101.6(2) . .
C2 N2 C15 118.4(2) . .
C2 N2 B1 110.0(2) . .
C15 N2 B1 131.1(2) . .
C1 C2 N2 109.5(2) . .
C1 C2 H12 125.3 . .
N2 C2 H12 125.3 . .
B1 N3 Si1 171.5(2) . .
C4 C3 C8 121.6(3) . .
C4 C3 N1 119.2(2) . .
C8 C3 N1 119.1(2) . .
C27 N4 C29 110.3(2) . .
C27 N4 Si1 100.06(16) . 5_666
C29 N4 Si1 123.56(17) . 5_666
C27 N4 Si1 101.19(16) . .
C29 N4 Si1 120.29(16) . .
Si1 N4 Si1 97.70(10) 5_666 .
C5 C4 C3 118.0(3) . .
C5 C4 C9 120.8(3) . .
C3 C4 C9 121.1(3) . .
C28 N5 C33 116.6(2) . .
C28 N5 Si1 108.32(18) . .
C33 N5 Si1 132.57(19) . .
C6 C5 C4 121.6(3) . .
C6 C5 H29 119.2 . .
C4 C5 H29 119.2 . .
C7 C6 C5 119.9(3) . .
C7 C6 H28 120.1 . .
C5 C6 H28 120.1 . .
C6 C7 C8 121.5(3) . .
C6 C7 H27 119.3 . .
C8 C7 H27 119.3 . .
C7 C8 C3 117.4(3) . .
C7 C8 C12 120.4(3) . .
C3 C8 C12 122.1(2) . .
C4 C9 C11 113.4(3) . .
C4 C9 C10 110.4(3) . .
C11 C9 C10 109.2(3) . .
C4 C9 H34 107.9 . .
C11 C9 H34 107.9 . .
C10 C9 H34 107.9 . .
C9 C10 H35A 109.5 . .
C9 C10 H35B 109.5 . .
H35A C10 H35B 109.5 . .
C9 C10 H35C 109.5 . .
H35A C10 H35C 109.5 . .
H35B C10 H35C 109.5 . .
C9 C11 H36A 109.5 . .
C9 C11 H36B 109.5 . .
H36A C11 H36B 109.5 . .
C9 C11 H36C 109.5 . .
H36A C11 H36C 109.5 . .
H36B C11 H36C 109.5 . .
C8 C12 C14 111.0(2) . .
C8 C12 C13 113.2(3) . .
C14 C12 C13 108.5(2) . .
C8 C12 H31 108.0 . .
C14 C12 H31 108.0 . .
C13 C12 H31 108.0 . .
C12 C13 H33A 109.5 . .
C12 C13 H33B 109.5 . .
H33A C13 H33B 109.5 . .
C12 C13 H33C 109.5 . .
H33A C13 H33C 109.5 . .
H33B C13 H33C 109.5 . .
C12 C14 H32A 109.5 . .
C12 C14 H32B 109.5 . .
H32A C14 H32B 109.5 . .
C12 C14 H32C 109.5 . .
H32A C14 H32C 109.5 . .
H32B C14 H32C 109.5 . .
C16 C15 C20 121.2(3) . .
C16 C15 N2 118.8(2) . .
C20 C15 N2 119.9(2) . .
C17 C16 C15 118.5(3) . .
C17 C16 C21 119.5(3) . .
C15 C16 C21 122.0(3) . .
C18 C17 C16 121.0(3) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 120.1(3) . .
C17 C18 H16 119.9 . .
C19 C18 H16 119.9 . .
C18 C19 C20 121.3(3) . .
C18 C19 H15 119.4 . .
C20 C19 H15 119.4 . .
C19 C20 C15 117.9(3) . .
C19 C20 C24 122.0(3) . .
C15 C20 C24 120.1(2) . .
C16 C21 C22 113.0(3) . .
C16 C21 C23 110.9(3) . .
C22 C21 C23 109.8(3) . .
C16 C21 H22 107.7 . .
C22 C21 H22 107.7 . .
C23 C21 H22 107.7 . .
C21 C22 H23A 109.5 . .
C21 C22 H23B 109.5 . .
H23A C22 H23B 109.5 . .
C21 C22 H23C 109.5 . .
H23A C22 H23C 109.5 . .
H23B C22 H23C 109.5 . .
C21 C23 H24A 109.5 . .
C21 C23 H24B 109.5 . .
H24A C23 H24B 109.5 . .
C21 C23 H24C 109.5 . .
H24A C23 H24C 109.5 . .
H24B C23 H24C 109.5 . .
C20 C24 C25 110.3(3) . .
C20 C24 C26 113.8(3) . .
C25 C24 C26 109.5(3) . .
C20 C24 H19 107.7 . .
C25 C24 H19 107.7 . .
C26 C24 H19 107.7 . .
C24 C25 H21A 109.5 . .
C24 C25 H21B 109.5 . .
H21A C25 H21B 109.5 . .
C24 C25 H21C 109.5 . .
H21A C25 H21C 109.5 . .
H21B C25 H21C 109.5 . .
C24 C26 H20A 109.5 . .
C24 C26 H20B 109.5 . .
H20A C26 H20B 109.5 . .
C24 C26 H20C 109.5 . .
H20A C26 H20C 109.5 . .
H20B C26 H20C 109.5 . .
C28 C27 N4 116.3(2) . .
C28 C27 H2 121.9 . .
N4 C27 H2 121.9 . .
C27 C28 N5 119.4(3) . .
C27 C28 H1 120.3 . .
N5 C28 H1 120.3 . .
C30 C29 C32 111.5(2) . .
C30 C29 C31 109.2(2) . .
C32 C29 C31 109.7(3) . .
C30 C29 N4 108.1(2) . .
C32 C29 N4 109.9(2) . .
C31 C29 N4 108.4(2) . .
C29 C30 H4A 109.5 . .
C29 C30 H4B 109.5 . .
H4A C30 H4B 109.5 . .
C29 C30 H4C 109.5 . .
H4A C30 H4C 109.5 . .
H4B C30 H4C 109.5 . .
C29 C31 H6A 109.5 . .
C29 C31 H6B 109.5 . .
H6A C31 H6B 109.5 . .
C29 C31 H6C 109.5 . .
H6A C31 H6C 109.5 . .
H6B C31 H6C 109.5 . .
C29 C32 H5A 109.5 . .
C29 C32 H5B 109.5 . .
H5A C32 H5B 109.5 . .
C29 C32 H5C 109.5 . .
H5A C32 H5C 109.5 . .
H5B C32 H5C 109.5 . .
N5 C33 C36 110.0(2) . .
N5 C33 C35 109.7(3) . .
C36 C33 C35 109.0(3) . .
N5 C33 C34 109.4(3) . .
C36 C33 C34 108.9(3) . .
C35 C33 C34 109.9(3) . .
C33 C34 H10A 109.5 . .
C33 C34 H10B 109.5 . .
H10A C34 H10B 109.5 . .
C33 C34 H10C 109.5 . .
H10A C34 H10C 109.5 . .
H10B C34 H10C 109.5 . .
C33 C35 H9A 109.5 . .
C33 C35 H9B 109.5 . .
H9A C35 H9B 109.5 . .
C33 C35 H9C 109.5 . .
H9A C35 H9C 109.5 . .
H9B C35 H9C 109.5 . .
C33 C36 H8A 109.5 . .
C33 C36 H8B 109.5 . .
H8A C36 H8B 109.5 . .
C33 C36 H8C 109.5 . .
H8A C36 H8C 109.5 . .
H8B C36 H8C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N3 1.573(2) .
Si1 N5 1.736(2) .
Si1 N4 1.904(2) 5_666
Si1 N4 1.920(2) .
N1 C1 1.406(3) .
N1 C3 1.433(3) .
N1 B1 1.473(4) .
C1 C2 1.333(4) .
C1 H11 0.9500 .
B1 N3 1.396(4) .
B1 N2 1.468(4) .
N2 C2 1.394(3) .
N2 C15 1.429(3) .
C2 H12 0.9500 .
C3 C4 1.404(4) .
C3 C8 1.409(4) .
N4 C27 1.477(3) .
N4 C29 1.543(3) .
C4 C5 1.395(4) .
C4 C9 1.519(4) .
N5 C28 1.387(4) .
N5 C33 1.500(4) .
C5 C6 1.379(5) .
C5 H29 0.9500 .
C6 C7 1.376(5) .
C6 H28 0.9500 .
C7 C8 1.407(4) .
C7 H27 0.9500 .
C8 C12 1.519(4) .
C9 C11 1.526(5) .
C9 C10 1.530(6) .
C9 H34 1.0000 .
C10 H35A 0.9800 .
C10 H35B 0.9800 .
C10 H35C 0.9800 .
C11 H36A 0.9800 .
C11 H36B 0.9800 .
C11 H36C 0.9800 .
C12 C14 1.531(4) .
C12 C13 1.534(4) .
C12 H31 1.0000 .
C13 H33A 0.9800 .
C13 H33B 0.9800 .
C13 H33C 0.9800 .
C14 H32A 0.9800 .
C14 H32B 0.9800 .
C14 H32C 0.9800 .
C15 C16 1.404(4) .
C15 C20 1.406(4) .
C16 C17 1.395(4) .
C16 C21 1.515(5) .
C17 C18 1.374(5) .
C17 H17 0.9500 .
C18 C19 1.383(5) .
C18 H16 0.9500 .
C19 C20 1.396(4) .
C19 H15 0.9500 .
C20 C24 1.521(4) .
C21 C22 1.528(5) .
C21 C23 1.535(5) .
C21 H22 1.0000 .
C22 H23A 0.9800 .
C22 H23B 0.9800 .
C22 H23C 0.9800 .
C23 H24A 0.9800 .
C23 H24B 0.9800 .
C23 H24C 0.9800 .
C24 C25 1.529(5) .
C24 C26 1.531(4) .
C24 H19 1.0000 .
C25 H21A 0.9800 .
C25 H21B 0.9800 .
C25 H21C 0.9800 .
C26 H20A 0.9800 .
C26 H20B 0.9800 .
C26 H20C 0.9800 .
C27 C28 1.330(4) .
C27 H2 0.9500 .
C28 H1 0.9500 .
C29 C30 1.518(4) .
C29 C32 1.519(4) .
C29 C31 1.526(4) .
C30 H4A 0.9800 .
C30 H4B 0.9800 .
C30 H4C 0.9800 .
C31 H6A 0.9800 .
C31 H6B 0.9800 .
C31 H6C 0.9800 .
C32 H5A 0.9800 .
C32 H5B 0.9800 .
C32 H5C 0.9800 .
C33 C36 1.513(5) .
C33 C35 1.523(5) .
C33 C34 1.524(5) .
C34 H10A 0.9800 .
C34 H10B 0.9800 .
C34 H10C 0.9800 .
C35 H9A 0.9800 .
C35 H9B 0.9800 .
C35 H9C 0.9800 .
C36 H8A 0.9800 .
C36 H8B 0.9800 .
C36 H8C 0.9800 .
