#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/18/4101837.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_4101837
loop_
_publ_author_name
'Katsuhiko Takeuchi'
'Masao Ikoshi'
'Masaaki Ichinohe'
'Akira Sekiguchi'
_publ_section_title
;
 Addition of Amines and Hydroborane to the Disilyne RSi\\tbSiR (R =
 SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              930
_journal_page_last               931
_journal_paper_doi               10.1021/ja910157h
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C46 H101 N Si12'
_chemical_formula_weight         1005.36
_chemical_name_systematic
; 
 trans-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-
 1,4-diisopropyl-2-(N,N-diphenylamino)-2-tetrasilene 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_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                 119.906(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.5790(9)
_cell_length_b                   17.7230(6)
_cell_length_c                   19.8080(8)
_cell_measurement_reflns_used    32869
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.28
_cell_volume                     6262.4(4)
_computing_cell_refinement       'HKL scalepack'
_computing_data_collection       'MacScience Xpress'
_computing_data_reduction        Denzo
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'MacScience DIP2030 Image plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32869
_diffrn_reflns_theta_full        27.93
_diffrn_reflns_theta_max         27.93
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.277
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.14(12)
_refine_ls_extinction_coef       0.0053(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         7500
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0447
_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)+(0.0777P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1239
_reflns_number_gt                6391
_reflns_number_total             7500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja910157h_si_002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C c '
_cod_database_code               4101837
loop_
_symmetry_equiv_pos_as_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'
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
Si1 Si 0.99904(6) -0.18586(6) 0.82989(6) 0.0254(2) Uani 1 1 d . . .
Si2 Si 1.03149(6) -0.07082(6) 0.82117(6) 0.0296(2) Uani 1 1 d . . .
Si3 Si 1.04687(6) -0.29526(5) 0.79433(6) 0.0248(2) Uani 1 1 d . . .
Si4 Si 0.94631(7) -0.24103(7) 0.60858(7) 0.0364(3) Uani 1 1 d . . .
Si5 Si 1.04393(8) -0.38637(8) 0.64843(7) 0.0449(3) Uani 1 1 d . . .
Si6 Si 1.11397(7) -0.44530(6) 0.91909(7) 0.0357(3) Uani 1 1 d . . .
Si7 Si 0.94089(7) -0.42265(6) 0.80612(7) 0.0329(2) Uani 1 1 d . . .
Si8 Si 1.02710(6) 0.05587(6) 0.85734(6) 0.0269(2) Uani 1 1 d . . .
Si9 Si 1.20243(8) 0.07241(8) 1.00003(9) 0.0472(3) Uani 1 1 d . . .
Si10 Si 1.16723(8) 0.08593(8) 0.82694(10) 0.0488(3) Uani 1 1 d . . .
Si11 Si 0.87753(8) 0.08625(8) 0.68259(8) 0.0510(4) Uani 1 1 d . . .
Si12 Si 0.95405(8) 0.22213(6) 0.79990(7) 0.0379(3) Uani 1 1 d . . .
N1 N 0.95726(17) -0.20012(18) 0.88858(18) 0.0265(6) Uani 1 1 d . . .
C1 C 0.8848(2) -0.1699(2) 0.8663(2) 0.0277(7) Uani 1 1 d . . .
C2 C 0.8666(3) -0.1452(2) 0.9221(3) 0.0377(9) Uani 1 1 d . . .
H2 H 0.9018 -0.1489 0.9748 0.045 Uiso 1 1 calc R . .
C3 C 0.7961(3) -0.1152(3) 0.8988(3) 0.0420(10) Uani 1 1 d . . .
H3 H 0.7846 -0.0995 0.9364 0.050 Uiso 1 1 calc R . .
C4 C 0.7426(3) -0.1082(3) 0.8209(3) 0.0446(11) Uani 1 1 d . . .
H4 H 0.6953 -0.0889 0.8060 0.054 Uiso 1 1 calc R . .
C5 C 0.7612(3) -0.1307(3) 0.7656(3) 0.0410(10) Uani 1 1 d . . .
H5 H 0.7267 -0.1243 0.7130 0.049 Uiso 1 1 calc R . .
C6 C 0.8304(2) -0.1626(2) 0.7878(3) 0.0337(8) Uani 1 1 d . . .
H6 H 0.8409 -0.1795 0.7498 0.040 Uiso 1 1 calc R . .
C7 C 0.9975(2) -0.2331(2) 0.9643(2) 0.0288(8) Uani 1 1 d . . .
C8 C 1.0725(2) -0.2136(2) 1.0152(2) 0.0346(9) Uani 1 1 d . . .
H8 H 1.0969 -0.1805 0.9988 0.042 Uiso 1 1 calc R . .
C9 C 1.1105(3) -0.2434(3) 1.0900(3) 0.0459(11) Uani 1 1 d . . .
H9 H 1.1604 -0.2307 1.1232 0.055 Uiso 1 1 calc R . .
C10 C 1.0742(3) -0.2919(3) 1.1153(3) 0.0493(12) Uani 1 1 d . . .
H10 H 1.0994 -0.3105 1.1659 0.059 Uiso 1 1 calc R . .
C11 C 1.0011(3) -0.3127(3) 1.0657(3) 0.0443(11) Uani 1 1 d . . .
H11 H 0.9771 -0.3457 1.0826 0.053 Uiso 1 1 calc R . .
C12 C 0.9633(3) -0.2842(2) 0.9903(3) 0.0359(9) Uani 1 1 d . . .
H12 H 0.9143 -0.2995 0.9566 0.043 Uiso 1 1 calc R . .
C13 C 0.9971(2) -0.3170(2) 0.6846(2) 0.0325(8) Uani 1 1 d . . .
H13 H 0.9547 -0.3473 0.6786 0.039 Uiso 1 1 calc R . .
C14 C 0.8661(3) -0.2001(3) 0.6152(3) 0.0456(11) Uani 1 1 d . . .
H14A H 0.8339 -0.2400 0.6136 0.068 Uiso 1 1 calc R . .
H14B H 0.8384 -0.1665 0.5722 0.068 Uiso 1 1 calc R . .
H14C H 0.8848 -0.1728 0.6632 0.068 Uiso 1 1 calc R . .
C15 C 1.0076(3) -0.1619(3) 0.6117(3) 0.0484(12) Uani 1 1 d . . .
H15A H 1.0493 -0.1819 0.6084 0.073 Uiso 1 1 calc R . .
H15B H 1.0257 -0.1347 0.6597 0.073 Uiso 1 1 calc R . .
H15C H 0.9793 -0.1285 0.5687 0.073 Uiso 1 1 calc R . .
C16 C 0.9012(3) -0.2806(3) 0.5066(3) 0.0498(12) Uani 1 1 d . . .
H16A H 0.9390 -0.3027 0.4979 0.075 Uiso 1 1 calc R . .
H16B H 0.8764 -0.2407 0.4697 0.075 Uiso 1 1 calc R . .
H16C H 0.8652 -0.3184 0.5004 0.075 Uiso 1 1 calc R . .
C17 C 1.0972(3) -0.3409(3) 0.6056(3) 0.0553(13) Uani 1 1 d . . .
H17A H 1.0650 -0.3064 0.5653 0.083 Uiso 1 1 calc R . .
H17B H 1.1146 -0.3790 0.5839 0.083 Uiso 1 1 calc R . .
H17C H 1.1393 -0.3139 0.6455 0.083 Uiso 1 1 calc R . .
C18 C 0.9702(5) -0.4508(4) 0.5731(4) 0.0728(19) Uani 1 1 d . . .
H18A H 0.9323 -0.4210 0.5317 0.109 Uiso 1 1 calc R . .
H18B H 0.9479 -0.4803 0.5968 0.109 Uiso 1 1 calc R . .
H18C H 0.9931 -0.4837 0.5524 0.109 Uiso 1 1 calc R . .
C19 C 1.1137(4) -0.4502(4) 0.7251(4) 0.0673(18) Uani 1 1 d . . .
H19A H 1.0906 -0.4761 0.7503 0.101 Uiso 1 1 calc R . .
H19B H 1.1554 -0.4211 0.7629 0.101 Uiso 1 1 calc R . .
H19C H 1.1311 -0.4865 0.7017 0.101 Uiso 1 1 calc R . .
C20 C 1.0363(2) -0.3757(2) 0.8532(2) 0.0285(8) Uani 1 1 d . . .
H20 H 1.0332 -0.3459 0.8932 0.034 Uiso 1 1 calc R . .
C21 C 1.2116(3) -0.4355(3) 0.9357(3) 0.0485(12) Uani 1 1 d . . .
H21A H 1.2107 -0.4403 0.8869 0.073 Uiso 1 1 calc R . .
H21B H 1.2428 -0.4744 0.9706 0.073 Uiso 1 1 calc R . .
H21C H 1.2313 -0.3870 0.9580 0.073 Uiso 1 1 calc R . .
C22 C 1.0921(3) -0.5472(3) 0.8894(3) 0.0504(12) Uani 1 1 d . . .
H22A H 1.0864 -0.5540 0.8386 0.076 Uiso 1 1 calc R . .
H22B H 1.0464 -0.5611 0.8881 0.076 Uiso 1 1 calc R . .
H22C H 1.1323 -0.5784 0.9263 0.076 Uiso 1 1 calc R . .
C23 C 1.1240(4) -0.4355(3) 1.0176(3) 0.0641(16) Uani 1 1 d . . .
H23A H 1.0757 -0.4402 1.0135 0.096 Uiso 1 1 calc R . .
H23B H 1.1448 -0.3869 1.0388 0.096 Uiso 1 1 calc R . .
H23C H 1.1566 -0.4742 1.0513 0.096 Uiso 1 1 calc R . .
C24 C 0.9253(3) -0.4935(3) 0.7293(3) 0.0471(11) Uani 1 1 d . . .
H24A H 0.9644 -0.5307 0.7509 0.071 Uiso 1 1 calc R . .
H24B H 0.9258 -0.4685 0.6866 0.071 Uiso 1 1 calc R . .
H24C H 0.8776 -0.5177 0.7112 0.071 Uiso 1 1 calc R . .
C25 C 0.9263(3) -0.4720(3) 0.8813(4) 0.0544(13) Uani 1 1 d . . .
H25A H 0.9651 -0.5089 0.9078 0.082 Uiso 1 1 calc R . .
H25B H 0.8784 -0.4966 0.8564 0.082 Uiso 1 1 calc R . .
H25C H 0.9280 -0.4358 0.9182 0.082 Uiso 1 1 calc R . .
C26 C 0.8624(3) -0.3528(3) 0.7590(3) 0.0412(10) Uani 1 1 d . . .
H26A H 0.8680 -0.3151 0.7964 0.062 Uiso 1 1 calc R . .
H26B H 0.8154 -0.3783 0.7405 0.062 Uiso 1 1 calc R . .
H26C H 0.8636 -0.3291 0.7160 0.062 Uiso 1 1 calc R . .
C27 C 1.1502(2) -0.2715(2) 0.8350(3) 0.0380(9) Uani 1 1 d . . .
H27 H 1.1748 -0.3192 0.8360 0.046 Uiso 1 1 calc R . .
C28 C 1.1677(3) -0.2173(3) 0.7872(4) 0.0496(12) Uani 1 1 d . . .
H28A H 1.1443 -0.2347 0.7343 0.074 Uiso 1 1 calc R . .
H28B H 1.2210 -0.2147 0.8083 0.074 Uiso 1 1 calc R . .
H28C H 1.1489 -0.1681 0.7886 0.074 Uiso 1 1 calc R . .
C29 C 1.1871(3) -0.2448(3) 0.9200(3) 0.0470(11) Uani 1 1 d . . .
H29A H 1.1756 -0.2797 0.9497 0.071 Uiso 1 1 calc R . .
H29B H 1.1684 -0.1957 0.9219 0.071 Uiso 1 1 calc R . .
H29C H 1.2405 -0.2423 0.9416 0.071 Uiso 1 1 calc R . .
C30 C 1.1276(2) 0.0917(2) 0.8956(3) 0.0330(8) Uani 1 1 d . . .
H30 H 1.1208 0.1463 0.8971 0.040 Uiso 1 1 calc R . .
C31 C 1.2224(3) -0.0311(3) 1.0213(4) 0.0606(15) Uani 1 1 d . . .
H31A H 1.2340 -0.0530 0.9843 0.091 Uiso 1 1 calc R . .
H31B H 1.1791 -0.0556 1.0176 0.091 Uiso 1 1 calc R . .
H31C H 1.2642 -0.0375 1.0729 0.091 Uiso 1 1 calc R . .
C32 C 1.1799(4) 0.1177(4) 1.0716(3) 0.0644(16) Uani 1 1 d . . .
H32A H 1.1697 0.1703 1.0596 0.097 Uiso 1 1 calc R . .
H32B H 1.2217 0.1121 1.1233 0.097 Uiso 1 1 calc R . .
H32C H 1.1366 0.0938 1.0685 0.097 Uiso 1 1 calc R . .
C33 C 1.2956(3) 0.1170(4) 1.0261(4) 0.0709(18) Uani 1 1 d . . .
H33A H 1.3127 0.0977 0.9923 0.106 Uiso 1 1 calc R . .
H33B H 1.3317 0.1053 1.0791 0.106 Uiso 1 1 calc R . .
H33C H 1.2897 0.1708 1.0199 0.106 Uiso 1 1 calc R . .
C34 C 1.2289(3) 0.0006(4) 0.8489(5) 0.073(2) Uani 1 1 d . . .
H34A H 1.2655 -0.0003 0.9034 0.109 Uiso 1 1 calc R . .
H34B H 1.2540 0.0027 0.8191 0.109 Uiso 1 1 calc R . .
H34C H 1.1988 -0.0442 0.8356 0.109 Uiso 1 1 calc R . .
C35 C 1.2197(4) 0.1751(4) 0.8357(5) 0.079(2) Uani 1 1 d . . .
H35A H 1.2567 0.1834 0.8893 0.118 Uiso 1 1 calc R . .
H35B H 1.1854 0.2168 0.8170 0.118 Uiso 1 1 calc R . .
H35C H 1.2441 0.1708 0.8053 0.118 Uiso 1 1 calc R . .
C36 C 1.0998(4) 0.0800(3) 0.7207(4) 0.0599(15) Uani 1 1 d . . .
H36A H 1.0699 0.0353 0.7099 0.090 Uiso 1 1 calc R . .
H36B H 1.1268 0.0781 0.6929 0.090 Uiso 1 1 calc R . .
H36C H 1.0678 0.1235 0.7045 0.090 Uiso 1 1 calc R . .
C37 C 0.9643(2) 0.1214(2) 0.7733(2) 0.0307(8) Uani 1 1 d . . .
H37 H 0.9972 0.1303 0.7515 0.037 Uiso 1 1 calc R . .
C38 C 0.8320(4) 0.1613(3) 0.6080(3) 0.0648(17) Uani 1 1 d . . .
H38A H 0.8682 0.1833 0.5968 0.097 Uiso 1 1 calc R . .
H38B H 0.8125 0.1995 0.6274 0.097 Uiso 1 1 calc R . .
H38C H 0.7918 0.1398 0.5613 0.097 Uiso 1 1 calc R . .
C39 C 0.8037(5) 0.0480(8) 0.7007(5) 0.146(6) Uani 1 1 d . . .
H39A H 0.8245 0.0086 0.7390 0.219 Uiso 1 1 calc R . .
H39B H 0.7635 0.0280 0.6531 0.219 Uiso 1 1 calc R . .
H39C H 0.7849 0.0876 0.7194 0.219 Uiso 1 1 calc R . .
C40 C 0.9017(6) 0.0150(4) 0.6290(5) 0.123(4) Uani 1 1 d . . .
H40A H 0.9260 -0.0274 0.6623 0.185 Uiso 1 1 calc R . .
H40B H 0.9348 0.0374 0.6135 0.185 Uiso 1 1 calc R . .
H40C H 0.8567 -0.0015 0.5835 0.185 Uiso 1 1 calc R . .
C41 C 1.0200(3) 0.2504(3) 0.9039(3) 0.0488(12) Uani 1 1 d . . .
H41A H 1.0114 0.2189 0.9382 0.073 Uiso 1 1 calc R . .
H41B H 1.0113 0.3021 0.9113 0.073 Uiso 1 1 calc R . .
H41C H 1.0708 0.2444 0.9152 0.073 Uiso 1 1 calc R . .
C42 C 0.9758(5) 0.2861(3) 0.7387(4) 0.0684(18) Uani 1 1 d . . .
H42A H 0.9436 0.2742 0.6847 0.103 Uiso 1 1 calc R . .
H42B H 1.0271 0.2794 0.7520 0.103 Uiso 1 1 calc R . .
H42C H 0.9679 0.3375 0.7480 0.103 Uiso 1 1 calc R . .
C43 C 0.8594(4) 0.2453(4) 0.7854(4) 0.0638(16) Uani 1 1 d . . .
H43A H 0.8217 0.2327 0.7332 0.096 Uiso 1 1 calc R . .
H43B H 0.8568 0.2982 0.7941 0.096 Uiso 1 1 calc R . .
H43C H 0.8509 0.2168 0.8215 0.096 Uiso 1 1 calc R . .
C44 C 0.9973(3) 0.0533(2) 0.9343(2) 0.0334(8) Uani 1 1 d . . .
H44 H 1.0176 0.0986 0.9664 0.040 Uiso 1 1 calc R . .
C45 C 1.0283(3) -0.0149(2) 0.9888(3) 0.0386(9) Uani 1 1 d . . .
H45A H 1.0818 -0.0166 1.0117 0.058 Uiso 1 1 calc R . .
H45B H 1.0069 -0.0603 0.9597 0.058 Uiso 1 1 calc R . .
H45C H 1.0156 -0.0106 1.0292 0.058 Uiso 1 1 calc R . .
C46 C 0.9117(3) 0.0553(3) 0.8989(3) 0.0477(11) Uani 1 1 d . . .
H46A H 0.8916 0.0977 0.8644 0.071 Uiso 1 1 calc R . .
H46B H 0.8999 0.0599 0.9399 0.071 Uiso 1 1 calc R . .
H46C H 0.8903 0.0096 0.8704 0.071 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'
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 Si1 Si2 116.92(12) . . ?
N1 Si1 Si3 118.31(12) . . ?
Si2 Si1 Si3 122.60(6) . . ?
Si1 Si2 Si8 143.36(6) . . ?
C27 Si3 C20 110.25(19) . . ?
C27 Si3 C13 112.03(19) . . ?
C20 Si3 C13 112.32(18) . . ?
C27 Si3 Si1 103.22(14) . . ?
C20 Si3 Si1 103.36(12) . . ?
C13 Si3 Si1 114.98(13) . . ?
C14 Si4 C15 108.2(2) . . ?
C14 Si4 C16 103.8(2) . . ?
C15 Si4 C16 106.2(2) . . ?
C14 Si4 C13 112.1(2) . . ?
C15 Si4 C13 114.3(2) . . ?
C16 Si4 C13 111.6(2) . . ?
C19 Si5 C17 104.1(3) . . ?
C19 Si5 C18 105.4(3) . . ?
C17 Si5 C18 108.8(3) . . ?
C19 Si5 C13 114.4(2) . . ?
C17 Si5 C13 114.4(2) . . ?
C18 Si5 C13 109.2(3) . . ?
C23 Si6 C21 104.9(3) . . ?
C23 Si6 C22 107.5(3) . . ?
C21 Si6 C22 102.2(2) . . ?
C23 Si6 C20 105.7(2) . . ?
C21 Si6 C20 121.0(2) . . ?
C22 Si6 C20 114.5(2) . . ?
C24 Si7 C26 106.4(2) . . ?
C24 Si7 C25 107.5(2) . . ?
C26 Si7 C25 105.3(2) . . ?
C24 Si7 C20 114.2(2) . . ?
C26 Si7 C20 112.28(19) . . ?
C25 Si7 C20 110.5(2) . . ?
C44 Si8 C37 111.40(18) . . ?
C44 Si8 C30 113.88(19) . . ?
C37 Si8 C30 105.64(18) . . ?
C44 Si8 Si2 107.12(13) . . ?
C37 Si8 Si2 115.06(13) . . ?
C30 Si8 Si2 103.67(13) . . ?
C32 Si9 C31 110.9(3) . . ?
C32 Si9 C33 102.4(3) . . ?
C31 Si9 C33 105.6(3) . . ?
C32 Si9 C30 112.0(2) . . ?
C31 Si9 C30 112.9(2) . . ?
C33 Si9 C30 112.5(3) . . ?
C36 Si10 C35 102.9(3) . . ?
C36 Si10 C34 104.7(3) . . ?
C35 Si10 C34 111.4(3) . . ?
C36 Si10 C30 117.9(2) . . ?
C35 Si10 C30 108.7(2) . . ?
C34 Si10 C30 110.9(3) . . ?
C39 Si11 C38 106.2(4) . . ?
C39 Si11 C40 109.8(6) . . ?
C38 Si11 C40 101.7(4) . . ?
C39 Si11 C37 114.3(3) . . ?
C38 Si11 C37 112.4(2) . . ?
C40 Si11 C37 111.6(3) . . ?
C43 Si12 C42 109.7(3) . . ?
C43 Si12 C41 103.7(3) . . ?
C42 Si12 C41 105.9(3) . . ?
C43 Si12 C37 114.5(3) . . ?
C42 Si12 C37 107.1(2) . . ?
C41 Si12 C37 115.7(2) . . ?
C7 N1 C1 116.5(3) . . ?
C7 N1 Si1 122.0(2) . . ?
C1 N1 Si1 121.0(3) . . ?
C6 C1 C2 117.8(4) . . ?
C6 C1 N1 120.7(3) . . ?
C2 C1 N1 121.4(4) . . ?
C3 C2 C1 120.2(4) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 121.5(4) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 118.4(4) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C6 C5 C4 120.8(4) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 121.2(4) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
C12 C7 C8 118.2(4) . . ?
C12 C7 N1 121.2(4) . . ?
C8 C7 N1 120.5(4) . . ?
C9 C8 C7 120.3(4) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 120.2(5) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.2(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.9(4) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 121.1(4) . . ?
C11 C12 H12 119.5 . . ?
C7 C12 H12 119.5 . . ?
Si4 C13 Si5 109.9(2) . . ?
Si4 C13 Si3 121.8(2) . . ?
Si5 C13 Si3 118.0(2) . . ?
Si4 C13 H13 100.8 . . ?
Si5 C13 H13 100.8 . . ?
Si3 C13 H13 100.8 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si5 C17 H17A 109.5 . . ?
Si5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si5 C18 H18A 109.5 . . ?
Si5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si5 C19 H19A 109.5 . . ?
Si5 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si5 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si7 C20 Si3 115.5(2) . . ?
Si7 C20 Si6 110.99(19) . . ?
Si3 C20 Si6 125.5(2) . . ?
Si7 C20 H20 99.5 . . ?
Si3 C20 H20 99.5 . . ?
Si6 C20 H20 99.5 . . ?
Si6 C21 H21A 109.5 . . ?
Si6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si6 C22 H22A 109.5 . . ?
Si6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si6 C23 H23A 109.5 . . ?
Si6 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si6 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si7 C24 H24A 109.5 . . ?
Si7 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si7 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si7 C25 H25A 109.5 . . ?
Si7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si7 C26 H26A 109.5 . . ?
Si7 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si7 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 110.3(4) . . ?
C28 C27 Si3 116.0(3) . . ?
C29 C27 Si3 111.7(3) . . ?
C28 C27 H27 106.0 . . ?
C29 C27 H27 106.0 . . ?
Si3 C27 H27 106.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si9 C30 Si10 111.4(2) . . ?
Si9 C30 Si8 119.9(2) . . ?
Si10 C30 Si8 117.4(2) . . ?
Si9 C30 H30 101.3 . . ?
Si10 C30 H30 101.3 . . ?
Si8 C30 H30 101.3 . . ?
Si9 C31 H31A 109.5 . . ?
Si9 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si9 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si9 C32 H32A 109.5 . . ?
Si9 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si9 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si9 C33 H33A 109.5 . . ?
Si9 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si9 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si10 C34 H34A 109.5 . . ?
Si10 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si10 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si10 C35 H35A 109.5 . . ?
Si10 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si10 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si10 C36 H36A 109.5 . . ?
Si10 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si10 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si11 C37 Si12 112.8(2) . . ?
Si11 C37 Si8 122.3(2) . . ?
Si12 C37 Si8 116.7(2) . . ?
Si11 C37 H37 99.6 . . ?
Si12 C37 H37 99.6 . . ?
Si8 C37 H37 99.6 . . ?
Si11 C38 H38A 109.5 . . ?
Si11 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si11 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si11 C39 H39A 109.5 . . ?
Si11 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si11 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si11 C40 H40A 109.5 . . ?
Si11 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si11 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si12 C41 H41A 109.5 . . ?
Si12 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si12 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si12 C42 H42A 109.5 . . ?
Si12 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si12 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si12 C43 H43A 109.5 . . ?
Si12 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si12 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C46 108.6(4) . . ?
C45 C44 Si8 113.3(3) . . ?
C46 C44 Si8 112.7(3) . . ?
C45 C44 H44 107.3 . . ?
C46 C44 H44 107.3 . . ?
Si8 C44 H44 107.3 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 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
Si1 N1 1.775(3) . ?
Si1 Si2 2.1790(14) . ?
Si1 Si3 2.4320(14) . ?
Si2 Si8 2.3723(15) . ?
Si3 C27 1.907(4) . ?
Si3 C20 1.921(4) . ?
Si3 C13 1.924(4) . ?
Si4 C14 1.865(5) . ?
Si4 C15 1.866(5) . ?
Si4 C16 1.888(5) . ?
Si4 C13 1.898(4) . ?
Si5 C19 1.865(6) . ?
Si5 C17 1.871(6) . ?
Si5 C18 1.891(7) . ?
Si5 C13 1.909(4) . ?
Si6 C23 1.866(6) . ?
Si6 C21 1.875(6) . ?
Si6 C22 1.884(5) . ?
Si6 C20 1.923(4) . ?
Si7 C24 1.872(5) . ?
Si7 C26 1.874(5) . ?
Si7 C25 1.876(5) . ?
Si7 C20 1.896(4) . ?
Si8 C44 1.906(4) . ?
Si8 C37 1.909(4) . ?
Si8 C30 1.922(4) . ?
Si9 C32 1.878(7) . ?
Si9 C31 1.881(6) . ?
Si9 C33 1.893(6) . ?
Si9 C30 1.895(5) . ?
Si10 C36 1.858(7) . ?
Si10 C35 1.873(6) . ?
Si10 C34 1.881(7) . ?
Si10 C30 1.905(4) . ?
Si11 C39 1.855(9) . ?
Si11 C38 1.857(5) . ?
Si11 C40 1.870(8) . ?
Si11 C37 1.899(4) . ?
Si12 C43 1.868(6) . ?
Si12 C42 1.870(6) . ?
Si12 C41 1.883(5) . ?
Si12 C37 1.903(4) . ?
N1 C7 1.428(5) . ?
N1 C1 1.431(5) . ?
C1 C6 1.398(6) . ?
C1 C2 1.401(5) . ?
C2 C3 1.391(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.394(6) . ?
C7 C8 1.401(6) . ?
C8 C9 1.390(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.385(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.374(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.391(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 H13 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20 0.9800 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.515(6) . ?
C27 C29 1.536(7) . ?
C27 H27 0.9800 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30 0.9800 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37 0.9800 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.531(6) . ?
C44 C46 1.538(7) . ?
C44 H44 0.9800 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30660076
