#------------------------------------------------------------------------------
#$Date: 2019-08-28 11:05:44 +0300 (Wed, 28 Aug 2019) $
#$Revision: 217782 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/35/7233512.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_7233512
loop_
_publ_author_name
'Benjamin D. Lindner'
'Yexiang Zhang'
'Stefan Hofle'
'Nancy Berger'
'Claudia Teusch'
'Malte Jesper'
'Kenneth I. Hardcastle'
'Xuhong Qian'
'Uli Lemmer'
'Alexander Colsmann'
'Uwe H. F. Bunz'
'Manuel Hamburger'
_publ_section_title
;
 N-Fused quinoxalines and benzoquinoxalines as attractive emitters for
 organic light emitting diodes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5718
_journal_page_last               5724
_journal_paper_doi               10.1039/C3TC30828F
_journal_volume                  1
_journal_year                    2013
_chemical_formula_sum            'C46 H54 N2 Si2'
_chemical_formula_weight         691.09
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                97.524(4)
_cell_angle_beta                 98.064(4)
_cell_angle_gamma                90.635(4)
_cell_formula_units_Z            4
_cell_length_a                   14.8061(10)
_cell_length_b                   16.0206(11)
_cell_length_c                   17.5296(11)
_cell_measurement_reflns_used    2349
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      64.08
_cell_measurement_theta_min      2.57
_cell_volume                     4079.7(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.764
_diffrn_measured_fraction_theta_max 0.764
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0949
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28246
_diffrn_reflns_theta_full        66.22
_diffrn_reflns_theta_max         66.22
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  0.9098
_exptl_absorpt_correction_T_min  0.6845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.434
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.058
_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     892
_refine_ls_number_reflns         10899
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1516
_refine_ls_R_factor_gt           0.0762
_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)+(0.0960P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1721
_refine_ls_wR_factor_ref         0.2080
_reflns_number_gt                5421
_reflns_number_total             10899
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000002.cif
_cod_data_source_block           PCOD1000002
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233512
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1519(3) 0.9371(3) 0.6315(3) 0.0523(12) Uani 1 1 d . . .
C2 C 0.1056(3) 1.0106(3) 0.6643(3) 0.0548(13) Uani 1 1 d . . .
C3 C 0.0896(4) 1.0185(3) 0.7415(3) 0.0664(15) Uani 1 1 d . . .
H3A H 0.1083 0.9764 0.7716 0.080 Uiso 1 1 calc R . .
C4 C 0.0467(4) 1.0876(3) 0.7742(3) 0.0782(17) Uani 1 1 d . . .
H4A H 0.0361 1.0920 0.8256 0.094 Uiso 1 1 calc R . .
C5 C 0.0194(4) 1.1505(3) 0.7287(4) 0.0843(18) Uani 1 1 d . . .
H5A H -0.0094 1.1975 0.7499 0.101 Uiso 1 1 calc R . .
C6 C 0.0349(4) 1.1433(3) 0.6531(3) 0.0693(16) Uani 1 1 d . . .
H6A H 0.0161 1.1859 0.6237 0.083 Uiso 1 1 calc R . .
C7 C 0.0781(3) 1.0740(3) 0.6184(3) 0.0604(14) Uani 1 1 d . . .
C8 C 0.0944(3) 1.0650(3) 0.5368(3) 0.0563(13) Uani 1 1 d . . .
C9 C 0.0708(3) 1.1273(3) 0.4874(3) 0.0697(16) Uani 1 1 d . . .
H9A H 0.0436 1.1759 0.5071 0.084 Uiso 1 1 calc R . .
C10 C 0.0866(4) 1.1182(3) 0.4123(3) 0.0697(16) Uani 1 1 d . . .
H10A H 0.0697 1.1603 0.3818 0.084 Uiso 1 1 calc R . .
C11 C 0.1276(4) 1.0472(3) 0.3807(3) 0.0666(15) Uani 1 1 d . . .
H11A H 0.1393 1.0414 0.3295 0.080 Uiso 1 1 calc R . .
C12 C 0.1508(3) 0.9849(3) 0.4274(3) 0.0632(14) Uani 1 1 d . . .
H12A H 0.1766 0.9360 0.4064 0.076 Uiso 1 1 calc R . .
C13 C 0.1365(3) 0.9938(3) 0.5044(3) 0.0516(12) Uani 1 1 d . . .
C14 C 0.1649(3) 0.9270(3) 0.5519(3) 0.0501(12) Uani 1 1 d . . .
C15 C 0.2343(3) 0.8013(3) 0.5660(2) 0.0484(12) Uani 1 1 d . . .
C16 C 0.2782(3) 0.7304(3) 0.5339(2) 0.0474(12) Uani 1 1 d . . .
C17 C 0.3055(3) 0.6669(3) 0.5805(2) 0.0452(11) Uani 1 1 d . . .
C18 C 0.3455(3) 0.5919(3) 0.5487(3) 0.0523(13) Uani 1 1 d . . .
H18A H 0.3539 0.5848 0.4967 0.063 Uiso 1 1 calc R . .
C19 C 0.3713(3) 0.5310(3) 0.5933(3) 0.0578(13) Uani 1 1 d . . .
H19A H 0.3959 0.4818 0.5716 0.069 Uiso 1 1 calc R . .
C20 C 0.3610(3) 0.5421(3) 0.6728(3) 0.0558(13) Uani 1 1 d . . .
H20A H 0.3794 0.5001 0.7031 0.067 Uiso 1 1 calc R . .
C21 C 0.3246(3) 0.6129(3) 0.7058(2) 0.0535(13) Uani 1 1 d . . .
H21A H 0.3187 0.6191 0.7583 0.064 Uiso 1 1 calc R . .
C22 C 0.2953(3) 0.6781(3) 0.6603(2) 0.0489(12) Uani 1 1 d . . .
C23 C 0.2566(3) 0.7511(3) 0.6934(2) 0.0478(12) Uani 1 1 d . . .
C24 C 0.2237(3) 0.8118(3) 0.6456(2) 0.0481(12) Uani 1 1 d . . .
C25 C 0.2508(3) 0.7698(3) 0.7751(3) 0.0516(12) Uani 1 1 d . . .
C26 C 0.2476(3) 0.7928(3) 0.8427(3) 0.0564(13) Uani 1 1 d . . .
C27 C 0.3465(4) 0.9278(3) 0.9507(3) 0.0640(14) Uani 1 1 d . . .
H27A H 0.4011 0.8971 0.9397 0.077 Uiso 1 1 calc R . .
C28 C 0.3713(4) 0.9789(3) 1.0319(3) 0.0893(19) Uani 1 1 d . . .
H28A H 0.4209 1.0177 1.0312 0.134 Uiso 1 1 calc R . .
H28B H 0.3891 0.9413 1.0693 0.134 Uiso 1 1 calc R . .
H28C H 0.3193 1.0095 1.0457 0.134 Uiso 1 1 calc R . .
C29 C 0.3285(4) 0.9883(3) 0.8891(3) 0.0786(17) Uani 1 1 d . . .
H29A H 0.3791 1.0278 0.8947 0.118 Uiso 1 1 calc R . .
H29B H 0.2738 1.0182 0.8960 0.118 Uiso 1 1 calc R . .
H29C H 0.3215 0.9566 0.8381 0.118 Uiso 1 1 calc R . .
C30 C 0.1404(4) 0.8973(3) 0.9537(3) 0.0691(15) Uani 1 1 d . . .
H30A H 0.1444 0.9525 0.9358 0.083 Uiso 1 1 calc R . .
C31 C 0.1226(4) 0.9152(4) 1.0390(3) 0.102(2) Uani 1 1 d . . .
H31A H 0.0642 0.9401 1.0407 0.153 Uiso 1 1 calc R . .
H31B H 0.1694 0.9531 1.0683 0.153 Uiso 1 1 calc R . .
H31C H 0.1233 0.8633 1.0610 0.153 Uiso 1 1 calc R . .
C32 C 0.0574(4) 0.8519(4) 0.9039(3) 0.102(2) Uani 1 1 d . . .
H32A H 0.0035 0.8821 0.9131 0.152 Uiso 1 1 calc R . .
H32B H 0.0519 0.7959 0.9171 0.152 Uiso 1 1 calc R . .
H32C H 0.0644 0.8488 0.8500 0.152 Uiso 1 1 calc R . .
C33 C 0.2805(4) 0.7658(3) 1.0091(3) 0.0668(15) Uani 1 1 d . . .
H33A H 0.2796 0.7933 1.0623 0.080 Uiso 1 1 calc R . .
C34 C 0.3758(4) 0.7326(3) 1.0046(3) 0.092(2) Uani 1 1 d . . .
H34A H 0.3885 0.6922 1.0403 0.138 Uiso 1 1 calc R . .
H34B H 0.4198 0.7786 1.0180 0.138 Uiso 1 1 calc R . .
H34C H 0.3792 0.7062 0.9527 0.138 Uiso 1 1 calc R . .
C35 C 0.2090(4) 0.6927(3) 0.9938(3) 0.0856(18) Uani 1 1 d . . .
H35A H 0.2254 0.6528 1.0294 0.128 Uiso 1 1 calc R . .
H35B H 0.2068 0.6653 0.9414 0.128 Uiso 1 1 calc R . .
H35C H 0.1501 0.7143 1.0010 0.128 Uiso 1 1 calc R . .
C36 C 0.2979(3) 0.7267(3) 0.4556(3) 0.0501(12) Uani 1 1 d . . .
C37 C 0.3181(3) 0.7298(3) 0.3915(3) 0.0533(13) Uani 1 1 d . . .
C38 C 0.3379(4) 0.8706(3) 0.3004(3) 0.0641(15) Uani 1 1 d . . .
H38A H 0.2719 0.8783 0.2948 0.077 Uiso 1 1 calc R . .
C39 C 0.3721(4) 0.9007(3) 0.2302(3) 0.101(2) Uani 1 1 d . . .
H39A H 0.3603 0.9595 0.2299 0.151 Uiso 1 1 calc R . .
H39B H 0.3410 0.8692 0.1833 0.151 Uiso 1 1 calc R . .
H39C H 0.4366 0.8924 0.2331 0.151 Uiso 1 1 calc R . .
C40 C 0.3799(4) 0.9246(3) 0.3749(3) 0.0723(16) Uani 1 1 d . . .
H40A H 0.3671 0.9826 0.3712 0.109 Uiso 1 1 calc R . .
H40B H 0.4448 0.9179 0.3825 0.109 Uiso 1 1 calc R . .
H40C H 0.3545 0.9075 0.4181 0.109 Uiso 1 1 calc R . .
C41 C 0.4817(3) 0.7314(3) 0.3050(3) 0.0579(13) Uani 1 1 d . . .
H41A H 0.5151 0.7838 0.3284 0.069 Uiso 1 1 calc R . .
C42 C 0.5092(4) 0.7100(3) 0.2238(3) 0.0873(18) Uani 1 1 d . . .
H42A H 0.5736 0.7004 0.2284 0.131 Uiso 1 1 calc R . .
H42B H 0.4953 0.7560 0.1945 0.131 Uiso 1 1 calc R . .
H42C H 0.4762 0.6601 0.1975 0.131 Uiso 1 1 calc R . .
C43 C 0.5148(3) 0.6641(3) 0.3568(3) 0.0760(16) Uani 1 1 d . . .
H43A H 0.5790 0.6567 0.3565 0.114 Uiso 1 1 calc R . .
H43B H 0.4825 0.6117 0.3372 0.114 Uiso 1 1 calc R . .
H43C H 0.5036 0.6818 0.4090 0.114 Uiso 1 1 calc R . .
C44 C 0.2848(3) 0.6909(3) 0.2178(3) 0.0545(13) Uani 1 1 d . . .
H44A H 0.3090 0.7009 0.1704 0.065 Uiso 1 1 calc R . .
C45 C 0.2884(4) 0.5954(3) 0.2228(3) 0.0737(16) Uani 1 1 d . . .
H45A H 0.2509 0.5653 0.1784 0.111 Uiso 1 1 calc R . .
H45B H 0.2663 0.5839 0.2694 0.111 Uiso 1 1 calc R . .
H45C H 0.3502 0.5777 0.2236 0.111 Uiso 1 1 calc R . .
C46 C 0.1849(3) 0.7183(3) 0.2098(3) 0.0769(16) Uani 1 1 d . . .
H46A H 0.1501 0.6848 0.1659 0.115 Uiso 1 1 calc R . .
H46B H 0.1825 0.7766 0.2025 0.115 Uiso 1 1 calc R . .
H46C H 0.1598 0.7106 0.2561 0.115 Uiso 1 1 calc R . .
C1B C 0.1474(3) 0.4604(3) 0.6050(3) 0.0506(12) Uani 1 1 d . . .
C2B C 0.1075(3) 0.5391(3) 0.6351(3) 0.0506(12) Uani 1 1 d . . .
C3B C 0.1002(3) 0.5562(3) 0.7139(3) 0.0564(13) Uani 1 1 d . . .
H3BA H 0.1212 0.5178 0.7472 0.068 Uiso 1 1 calc R . .
C4B C 0.0619(3) 0.6296(3) 0.7432(3) 0.0633(14) Uani 1 1 d . . .
H4BA H 0.0562 0.6402 0.7957 0.076 Uiso 1 1 calc R . .
C5B C 0.0323(3) 0.6872(3) 0.6937(3) 0.0646(14) Uani 1 1 d . . .
H5BA H 0.0073 0.7371 0.7133 0.078 Uiso 1 1 calc R . .
C6B C 0.0392(4) 0.6715(3) 0.6164(3) 0.0636(15) Uani 1 1 d . . .
H6BA H 0.0180 0.7108 0.5840 0.076 Uiso 1 1 calc R . .
C7B C 0.0778(3) 0.5974(3) 0.5843(3) 0.0516(12) Uani 1 1 d . . .
C8B C 0.0870(3) 0.5801(3) 0.5017(3) 0.0523(12) Uani 1 1 d . . .
C9B C 0.0569(3) 0.6362(3) 0.4487(3) 0.0616(14) Uani 1 1 d . . .
H9BA H 0.0308 0.6862 0.4666 0.074 Uiso 1 1 calc R . .
C10B C 0.0650(4) 0.6188(3) 0.3713(3) 0.0632(14) Uani 1 1 d . . .
H10B H 0.0436 0.6568 0.3376 0.076 Uiso 1 1 calc R . .
C11B C 0.1045(3) 0.5456(3) 0.3426(3) 0.0606(14) Uani 1 1 d . . .
H11B H 0.1105 0.5344 0.2902 0.073 Uiso 1 1 calc R . .
C12B C 0.1349(3) 0.4894(3) 0.3935(3) 0.0569(13) Uani 1 1 d . . .
H12B H 0.1611 0.4397 0.3750 0.068 Uiso 1 1 calc R . .
C13B C 0.1268(3) 0.5065(3) 0.4720(3) 0.0487(12) Uani 1 1 d . . .
C14B C 0.1581(3) 0.4445(3) 0.5245(3) 0.0487(12) Uani 1 1 d . . .
C15B C 0.2253(3) 0.3192(3) 0.5455(2) 0.0470(12) Uani 1 1 d . . .
C16B C 0.2707(3) 0.2473(3) 0.5172(2) 0.0474(12) Uani 1 1 d . . .
C17B C 0.2958(3) 0.1859(3) 0.5666(2) 0.0452(11) Uani 1 1 d . . .
C18B C 0.3394(3) 0.1109(3) 0.5399(3) 0.0524(13) Uani 1 1 d . . .
H18B H 0.3525 0.1023 0.4892 0.063 Uiso 1 1 calc R . .
C19B C 0.3620(3) 0.0516(3) 0.5876(3) 0.0571(13) Uani 1 1 d . . .
H19B H 0.3892 0.0025 0.5688 0.068 Uiso 1 1 calc R . .
C20B C 0.3447(3) 0.0636(3) 0.6649(3) 0.0545(13) Uani 1 1 d . . .
H20B H 0.3617 0.0230 0.6971 0.065 Uiso 1 1 calc R . .
C21B C 0.3033(3) 0.1343(3) 0.6932(3) 0.0547(13) Uani 1 1 d . . .
H21B H 0.2908 0.1408 0.7442 0.066 Uiso 1 1 calc R . .
C22B C 0.2787(3) 0.1988(3) 0.6453(2) 0.0463(12) Uani 1 1 d . . .
C23B C 0.2370(3) 0.2728(3) 0.6747(2) 0.0482(12) Uani 1 1 d . . .
C24B C 0.2112(3) 0.3337(3) 0.6247(2) 0.0473(12) Uani 1 1 d . . .
C25B C 0.2271(3) 0.2916(3) 0.7549(3) 0.0539(13) Uani 1 1 d . . .
C26B C 0.2231(4) 0.3094(3) 0.8230(3) 0.0615(14) Uani 1 1 d . A .
C27B C 0.1375(6) 0.4231(7) 0.9448(5) 0.093(2) Uiso 0.50 1 d PD A 1
H27B H 0.1488 0.4787 0.9297 0.111 Uiso 0.50 1 calc PR A 1
C27C C 0.0958(6) 0.3675(8) 0.9311(6) 0.093(2) Uiso 0.50 1 d PD A 2
H27C H 0.0684 0.3109 0.9147 0.111 Uiso 0.50 1 calc PR A 2
C28B C 0.0515(8) 0.3797(8) 0.8960(7) 0.093(2) Uiso 0.50 1 d PD A 1
H28D H 0.0009 0.4164 0.8993 0.139 Uiso 0.50 1 calc PR A 1
H28E H 0.0384 0.3283 0.9155 0.139 Uiso 0.50 1 calc PR A 1
H28F H 0.0613 0.3674 0.8428 0.139 Uiso 0.50 1 calc PR A 1
C29B C 0.1237(8) 0.4301(8) 1.0303(6) 0.093(2) Uiso 0.50 1 d PD A 1
H29D H 0.1222 0.4884 1.0513 0.139 Uiso 0.50 1 calc PR A 1
H29E H 0.1730 0.4039 1.0589 0.139 Uiso 0.50 1 calc PR A 1
H29F H 0.0670 0.4023 1.0342 0.139 Uiso 0.50 1 calc PR A 1
C28C C 0.0476(8) 0.4223(7) 0.8703(6) 0.0927(8) Uiso 0.50 1 d PD A 2
H28G H -0.0168 0.4221 0.8725 0.139 Uiso 0.50 1 calc PR A 2
H28H H 0.0583 0.3993 0.8191 0.139 Uiso 0.50 1 calc PR A 2
H28I H 0.0719 0.4791 0.8822 0.139 Uiso 0.50 1 calc PR A 2
C29C C 0.0667(8) 0.3942(8) 1.0111(6) 0.093(4) Uiso 0.50 1 d PD A 2
H29G H 0.0696 0.4546 1.0223 0.140 Uiso 0.50 1 calc PR A 2
H29H H 0.1070 0.3708 1.0501 0.140 Uiso 0.50 1 calc PR A 2
H29I H 0.0054 0.3742 1.0110 0.140 Uiso 0.50 1 calc PR A 2
C30B C 0.3404(7) 0.4285(6) 0.9401(6) 0.067(2) Uiso 0.50 1 d PD A 1
H30B H 0.3924 0.3917 0.9360 0.081 Uiso 0.50 1 calc PR A 1
C30C C 0.2778(8) 0.4556(5) 0.9471(5) 0.067(2) Uiso 0.50 1 d PD A 2
H30C H 0.2291 0.4963 0.9503 0.081 Uiso 0.50 1 calc PR A 2
C31B C 0.3414(5) 0.4810(5) 0.8858(4) 0.146(3) Uani 1 1 d . . .
H31D H 0.3337 0.4487 0.8350 0.218 Uiso 1 1 calc R A 1
H31E H 0.3987 0.5118 0.8945 0.218 Uiso 1 1 calc R A 1
H31F H 0.2926 0.5196 0.8893 0.218 Uiso 1 1 calc R A 1
C32B C 0.3515(6) 0.4736(4) 1.0269(3) 0.164(4) Uani 1 1 d . . .
H32D H 0.3497 0.4321 1.0615 0.246 Uiso 1 1 calc R A 1
H32E H 0.3026 0.5117 1.0328 0.246 Uiso 1 1 calc R A 1
H32F H 0.4088 0.5044 1.0390 0.246 Uiso 1 1 calc R A 1
C33B C 0.2608(4) 0.2697(3) 0.9874(3) 0.0750(17) Uani 1 1 d . A .
H33B H 0.2639 0.2953 1.0416 0.090 Uiso 1 1 calc R . .
C34B C 0.3547(4) 0.2367(3) 0.9766(3) 0.100(2) Uani 1 1 d . . .
H34D H 0.3702 0.1950 1.0106 0.150 Uiso 1 1 calc R . .
H34E H 0.3991 0.2823 0.9888 0.150 Uiso 1 1 calc R . .
H34F H 0.3541 0.2118 0.9237 0.150 Uiso 1 1 calc R . .
C35B C 0.1915(4) 0.1966(4) 0.9740(3) 0.097(2) Uani 1 1 d . . .
H35D H 0.2111 0.1560 1.0080 0.146 Uiso 1 1 calc R . .
H35E H 0.1863 0.1706 0.9210 0.146 Uiso 1 1 calc R . .
H35F H 0.1332 0.2171 0.9845 0.146 Uiso 1 1 calc R . .
C36B C 0.2926(3) 0.2388(3) 0.4397(3) 0.0507(12) Uani 1 1 d . . .
C37B C 0.3156(3) 0.2354(2) 0.3758(3) 0.0518(13) Uani 1 1 d . . .
C38B C 0.2613(3) 0.2242(3) 0.2039(3) 0.0635(14) Uani 1 1 d . . .
H38B H 0.2847 0.2302 0.1553 0.076 Uiso 1 1 calc R . .
C39B C 0.1896(4) 0.2901(3) 0.2145(3) 0.0905(19) Uani 1 1 d . . .
H39D H 0.1405 0.2800 0.1721 0.136 Uiso 1 1 calc R . .
H39E H 0.2165 0.3451 0.2154 0.136 Uiso 1 1 calc R . .
H39F H 0.1666 0.2868 0.2626 0.136 Uiso 1 1 calc R . .
C40B C 0.2182(4) 0.1351(3) 0.1955(3) 0.0874(19) Uani 1 1 d . . .
H40D H 0.1684 0.1287 0.1535 0.131 Uiso 1 1 calc R . .
H40E H 0.1961 0.1267 0.2429 0.131 Uiso 1 1 calc R . .
H40F H 0.2633 0.0942 0.1847 0.131 Uiso 1 1 calc R . .
C41B C 0.4199(4) 0.3459(3) 0.2920(3) 0.0610(14) Uani 1 1 d . . .
H41B H 0.4828 0.3395 0.3162 0.073 Uiso 1 1 calc R . .
C42B C 0.4259(4) 0.3737(3) 0.2124(3) 0.0816(17) Uani 1 1 d . . .
H42D H 0.4580 0.4271 0.2194 0.122 Uiso 1 1 calc R . .
H42E H 0.3655 0.3787 0.1856 0.122 Uiso 1 1 calc R . .
H42F H 0.4580 0.3326 0.1824 0.122 Uiso 1 1 calc R . .
C43B C 0.3800(4) 0.4169(3) 0.3443(3) 0.0819(18) Uani 1 1 d . . .
H43D H 0.4147 0.4682 0.3460 0.123 Uiso 1 1 calc R . .
H43E H 0.3830 0.4020 0.3959 0.123 Uiso 1 1 calc R . .
H43F H 0.3176 0.4246 0.3235 0.123 Uiso 1 1 calc R . .
C44B C 0.4424(3) 0.1532(3) 0.2758(3) 0.0618(14) Uani 1 1 d . . .
H44B H 0.4069 0.1002 0.2711 0.074 Uiso 1 1 calc R . .
C45B C 0.4899(4) 0.1499(4) 0.2033(3) 0.098(2) Uani 1 1 d . . .
H45D H 0.5298 0.1031 0.2013 0.148 Uiso 1 1 calc R . .
H45E H 0.5249 0.2013 0.2056 0.148 Uiso 1 1 calc R . .
H45F H 0.4449 0.1434 0.1577 0.148 Uiso 1 1 calc R . .
C46B C 0.5143(3) 0.1556(3) 0.3484(3) 0.0734(16) Uani 1 1 d . . .
H46D H 0.5543 0.1093 0.3415 0.110 Uiso 1 1 calc R . .
H46E H 0.4845 0.1515 0.3930 0.110 Uiso 1 1 calc R . .
H46F H 0.5492 0.2077 0.3560 0.110 Uiso 1 1 calc R . .
N1 N 0.1808(3) 0.8806(2) 0.6777(2) 0.0521(10) Uani 1 1 d . . .
N2 N 0.2060(3) 0.8616(2) 0.5200(2) 0.0524(10) Uani 1 1 d . . .
N1B N 0.1716(3) 0.4054(2) 0.65387(19) 0.0489(10) Uani 1 1 d . . .
N2B N 0.1971(3) 0.3765(2) 0.49560(19) 0.0490(10) Uani 1 1 d . . .
Si1 Si 0.25272(11) 0.84690(8) 0.94223(7) 0.0587(4) Uani 1 1 d . . .
Si2 Si 0.35727(10) 0.75419(8) 0.30206(7) 0.0522(4) Uani 1 1 d . . .
Si1B Si 0.22775(15) 0.35320(9) 0.92523(8) 0.0900(7) Uani 1 1 d D . .
Si2B Si 0.36069(9) 0.24040(8) 0.28481(7) 0.0522(4) Uani 1 1 d . . .
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'
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
N1 C1 C14 121.3(4) . .
N1 C1 C2 118.3(4) . .
C14 C1 C2 120.3(4) . .
C3 C2 C7 119.9(4) . .
C3 C2 C1 120.1(4) . .
C7 C2 C1 120.0(5) . .
C4 C3 C2 121.3(5) . .
C4 C3 H3A 119.3 . .
C2 C3 H3A 119.3 . .
C3 C4 C5 118.9(5) . .
C3 C4 H4A 120.6 . .
C5 C4 H4A 120.6 . .
C6 C5 C4 120.2(5) . .
C6 C5 H5A 119.9 . .
C4 C5 H5A 119.9 . .
C5 C6 C7 122.2(5) . .
C5 C6 H6A 118.9 . .
C7 C6 H6A 118.9 . .
C6 C7 C2 117.5(5) . .
C6 C7 C8 122.8(4) . .
C2 C7 C8 119.7(4) . .
C13 C8 C9 116.3(5) . .
C13 C8 C7 120.6(4) . .
C9 C8 C7 123.0(5) . .
C10 C9 C8 122.3(5) . .
C10 C9 H9A 118.8 . .
C8 C9 H9A 118.8 . .
C9 C10 C11 120.9(5) . .
C9 C10 H10A 119.6 . .
C11 C10 H10A 119.6 . .
C10 C11 C12 118.1(5) . .
C10 C11 H11A 120.9 . .
C12 C11 H11A 120.9 . .
C13 C12 C11 121.7(5) . .
C13 C12 H12A 119.2 . .
C11 C12 H12A 119.2 . .
C12 C13 C8 120.6(4) . .
C12 C13 C14 119.4(4) . .
C8 C13 C14 120.0(4) . .
N2 C14 C1 122.3(4) . .
N2 C14 C13 118.4(4) . .
C1 C14 C13 119.2(4) . .
N2 C15 C16 119.0(4) . .
N2 C15 C24 120.7(4) . .
C16 C15 C24 120.2(4) . .
C15 C16 C17 119.3(4) . .
C15 C16 C36 118.8(4) . .
C17 C16 C36 121.9(4) . .
C16 C17 C22 120.1(4) . .
C16 C17 C18 120.9(4) . .
C22 C17 C18 119.0(4) . .
C19 C18 C17 120.9(4) . .
C19 C18 H18A 119.6 . .
C17 C18 H18A 119.6 . .
C18 C19 C20 120.1(4) . .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C21 C20 C19 121.1(4) . .
C21 C20 H20A 119.5 . .
C19 C20 H20A 119.5 . .
C20 C21 C22 120.5(4) . .
C20 C21 H21A 119.7 . .
C22 C21 H21A 119.7 . .
C23 C22 C17 120.5(4) . .
C23 C22 C21 121.1(4) . .
C17 C22 C21 118.4(4) . .
C22 C23 C24 119.4(4) . .
C22 C23 C25 123.5(4) . .
C24 C23 C25 117.1(4) . .
N1 C24 C23 118.8(4) . .
N1 C24 C15 120.8(4) . .
C23 C24 C15 120.3(4) . .
C26 C25 C23 174.2(5) . .
C25 C26 Si1 168.9(5) . .
C28 C27 C29 109.7(4) . .
C28 C27 Si1 115.2(4) . .
C29 C27 Si1 112.4(3) . .
C28 C27 H27A 106.3 . .
C29 C27 H27A 106.3 . .
Si1 C27 H27A 106.3 . .
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 . .
C32 C30 C31 109.5(5) . .
C32 C30 Si1 115.3(4) . .
C31 C30 Si1 113.7(4) . .
C32 C30 H30A 105.9 . .
C31 C30 H30A 105.9 . .
Si1 C30 H30A 105.9 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 C35 110.7(4) . .
C34 C33 Si1 111.5(4) . .
C35 C33 Si1 112.1(3) . .
C34 C33 H33A 107.4 . .
C35 C33 H33A 107.4 . .
Si1 C33 H33A 107.4 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 C16 174.7(5) . .
C36 C37 Si2 169.3(4) . .
C40 C38 C39 110.5(4) . .
C40 C38 Si2 113.1(3) . .
C39 C38 Si2 111.0(3) . .
C40 C38 H38A 107.3 . .
C39 C38 H38A 107.3 . .
Si2 C38 H38A 107.3 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C42 C41 C43 110.6(4) . .
C42 C41 Si2 112.7(3) . .
C43 C41 Si2 114.1(3) . .
C42 C41 H41A 106.3 . .
C43 C41 H41A 106.3 . .
Si2 C41 H41A 106.3 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C46 C44 C45 109.7(4) . .
C46 C44 Si2 111.9(3) . .
C45 C44 Si2 112.1(3) . .
C46 C44 H44A 107.6 . .
C45 C44 H44A 107.6 . .
Si2 C44 H44A 107.6 . .
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 . .
N1B C1B C14B 122.0(4) . .
N1B C1B C2B 118.2(4) . .
C14B C1B C2B 119.8(4) . .
C3B C2B C7B 120.3(4) . .
C3B C2B C1B 120.0(4) . .
C7B C2B C1B 119.7(4) . .
C4B C3B C2B 120.7(4) . .
C4B C3B H3BA 119.6 . .
C2B C3B H3BA 119.6 . .
C3B C4B C5B 119.4(5) . .
C3B C4B H4BA 120.3 . .
C5B C4B H4BA 120.3 . .
C6B C5B C4B 120.6(5) . .
C6B C5B H5BA 119.7 . .
C4B C5B H5BA 119.7 . .
C5B C6B C7B 121.7(4) . .
C5B C6B H6BA 119.2 . .
C7B C6B H6BA 119.2 . .
C2B C7B C6B 117.2(4) . .
C2B C7B C8B 120.3(4) . .
C6B C7B C8B 122.5(4) . .
C13B C8B C9B 116.9(4) . .
C13B C8B C7B 121.0(4) . .
C9B C8B C7B 122.1(4) . .
C10B C9B C8B 121.6(5) . .
C10B C9B H9BA 119.2 . .
C8B C9B H9BA 119.2 . .
C9B C10B C11B 121.0(4) . .
C9B C10B H10B 119.5 . .
C11B C10B H10B 119.5 . .
C10B C11B C12B 118.7(5) . .
C10B C11B H11B 120.7 . .
C12B C11B H11B 120.7 . .
C11B C12B C13B 120.7(4) . .
C11B C12B H12B 119.6 . .
C13B C12B H12B 119.6 . .
C12B C13B C8B 121.2(4) . .
C12B C13B C14B 119.4(4) . .
C8B C13B C14B 119.4(4) . .
N2B C14B C1B 121.9(4) . .
N2B C14B C13B 118.4(4) . .
C1B C14B C13B 119.7(4) . .
N2B C15B C16B 118.7(4) . .
N2B C15B C24B 120.5(4) . .
C16B C15B C24B 120.7(4) . .
C15B C16B C17B 119.3(4) . .
C15B C16B C36B 119.5(4) . .
C17B C16B C36B 121.1(4) . .
C16B C17B C22B 120.0(4) . .
C16B C17B C18B 121.4(4) . .
C22B C17B C18B 118.5(4) . .
C19B C18B C17B 121.0(4) . .
C19B C18B H18B 119.5 . .
C17B C18B H18B 119.5 . .
C18B C19B C20B 120.7(4) . .
C18B C19B H19B 119.7 . .
C20B C19B H19B 119.7 . .
C21B C20B C19B 120.6(4) . .
C21B C20B H20B 119.7 . .
C19B C20B H20B 119.7 . .
C20B C21B C22B 120.7(4) . .
C20B C21B H21B 119.6 . .
C22B C21B H21B 119.6 . .
C23B C22B C17B 120.5(4) . .
C23B C22B C21B 121.0(4) . .
C17B C22B C21B 118.5(4) . .
C22B C23B C24B 119.1(4) . .
C22B C23B C25B 122.0(4) . .
C24B C23B C25B 118.7(4) . .
N1B C24B C23B 118.6(4) . .
N1B C24B C15B 121.3(4) . .
C23B C24B C15B 120.1(4) . .
C26B C25B C23B 176.6(6) . .
C25B C26B Si1B 170.1(5) . .
C29B C27B C28B 107.5(9) . .
C29B C27B Si1B 111.0(7) . .
C28B C27B Si1B 104.6(8) . .
C29B C27B H27B 111.2 . .
C28B C27B H27B 111.2 . .
Si1B C27B H27B 111.2 . .
C29C C27C C28C 110.1(8) . .
C29C C27C Si1B 118.2(8) . .
C28C C27C Si1B 113.5(7) . .
C29C C27C H27C 104.5 . .
C28C C27C H27C 104.5 . .
Si1B C27C H27C 104.5 . .
C27B C28B H28D 109.5 . .
C27B C28B H28E 109.5 . .
H28D C28B H28E 109.5 . .
C27B C28B H28F 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C27B C29B H29D 109.5 . .
C27B C29B H29E 109.5 . .
H29D C29B H29E 109.5 . .
C27B C29B H29F 109.5 . .
H29D C29B H29F 109.5 . .
H29E C29B H29F 109.5 . .
C27C C28C H28G 109.5 . .
C27C C28C H28H 109.5 . .
H28G C28C H28H 109.5 . .
C27C C28C H28I 109.5 . .
H28G C28C H28I 109.5 . .
H28H C28C H28I 109.5 . .
C27C C29C H29G 109.5 . .
C27C C29C H29H 109.5 . .
H29G C29C H29H 109.5 . .
C27C C29C H29I 109.5 . .
H29G C29C H29I 109.5 . .
H29H C29C H29I 109.5 . .
C31B C30B C32B 114.9(8) . .
C31B C30B Si1B 114.3(6) . .
C32B C30B Si1B 106.4(6) . .
C31B C30B H30B 106.9 . .
C32B C30B H30B 106.9 . .
Si1B C30B H30B 106.9 . .
C31B C30C C32B 99.2(7) . .
C31B C30C Si1B 115.1(6) . .
C32B C30C Si1B 116.2(6) . .
C31B C30C H30C 108.6 . .
C32B C30C H30C 108.6 . .
Si1B C30C H30C 108.6 . .
C30B C31B C30C 40.0(5) . .
C30B C31B H31D 109.5 . .
C30C C31B H31D 117.7 . .
C30B C31B H31E 109.5 . .
C30C C31B H31E 130.1 . .
H31D C31B H31E 109.5 . .
C30B C31B H31F 109.5 . .
C30C C31B H31F 70.0 . .
H31D C31B H31F 109.5 . .
H31E C31B H31F 109.5 . .
C30B C32B C30C 37.7(5) . .
C30B C32B H32D 109.5 . .
C30C C32B H32D 114.3 . .
C30B C32B H32E 109.5 . .
C30C C32B H32E 73.0 . .
H32D C32B H32E 109.5 . .
C30B C32B H32F 109.5 . .
C30C C32B H32F 132.3 . .
H32D C32B H32F 109.5 . .
H32E C32B H32F 109.5 . .
C34B C33B C35B 109.6(4) . .
C34B C33B Si1B 111.8(4) . .
C35B C33B Si1B 112.8(4) . .
C34B C33B H33B 107.4 . .
C35B C33B H33B 107.4 . .
Si1B C33B H33B 107.4 . .
C33B C34B H34D 109.5 . .
C33B C34B H34E 109.5 . .
H34D C34B H34E 109.5 . .
C33B C34B H34F 109.5 . .
H34D C34B H34F 109.5 . .
H34E C34B H34F 109.5 . .
C33B C35B H35D 109.5 . .
C33B C35B H35E 109.5 . .
H35D C35B H35E 109.5 . .
C33B C35B H35F 109.5 . .
H35D C35B H35F 109.5 . .
H35E C35B H35F 109.5 . .
C37B C36B C16B 175.8(5) . .
C36B C37B Si2B 173.0(4) . .
C39B C38B C40B 110.5(4) . .
C39B C38B Si2B 111.9(3) . .
C40B C38B Si2B 111.6(3) . .
C39B C38B H38B 107.5 . .
C40B C38B H38B 107.5 . .
Si2B C38B H38B 107.5 . .
C38B C39B H39D 109.5 . .
C38B C39B H39E 109.5 . .
H39D C39B H39E 109.5 . .
C38B C39B H39F 109.5 . .
H39D C39B H39F 109.5 . .
H39E C39B H39F 109.5 . .
C38B C40B H40D 109.5 . .
C38B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
C38B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
C42B C41B C43B 109.7(4) . .
C42B C41B Si2B 112.9(3) . .
C43B C41B Si2B 114.5(4) . .
C42B C41B H41B 106.4 . .
C43B C41B H41B 106.4 . .
Si2B C41B H41B 106.4 . .
C41B C42B H42D 109.5 . .
C41B C42B H42E 109.5 . .
H42D C42B H42E 109.5 . .
C41B C42B H42F 109.5 . .
H42D C42B H42F 109.5 . .
H42E C42B H42F 109.5 . .
C41B C43B H43D 109.5 . .
C41B C43B H43E 109.5 . .
H43D C43B H43E 109.5 . .
C41B C43B H43F 109.5 . .
H43D C43B H43F 109.5 . .
H43E C43B H43F 109.5 . .
C45B C44B C46B 109.6(4) . .
C45B C44B Si2B 113.4(3) . .
C46B C44B Si2B 112.4(3) . .
C45B C44B H44B 107.0 . .
C46B C44B H44B 107.0 . .
Si2B C44B H44B 107.0 . .
C44B C45B H45D 109.5 . .
C44B C45B H45E 109.5 . .
H45D C45B H45E 109.5 . .
C44B C45B H45F 109.5 . .
H45D C45B H45F 109.5 . .
H45E C45B H45F 109.5 . .
C44B C46B H46D 109.5 . .
C44B C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C44B C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
C1 N1 C24 117.4(4) . .
C14 N2 C15 117.4(4) . .
C1B N1B C24B 116.8(4) . .
C14B N2B C15B 117.3(4) . .
C26 Si1 C27 103.8(2) . .
C26 Si1 C33 106.8(2) . .
C27 Si1 C33 112.5(2) . .
C26 Si1 C30 109.3(2) . .
C27 Si1 C30 111.3(2) . .
C33 Si1 C30 112.6(3) . .
C37 Si2 C44 108.0(2) . .
C37 Si2 C41 109.7(2) . .
C44 Si2 C41 112.5(2) . .
C37 Si2 C38 105.4(2) . .
C44 Si2 C38 110.3(2) . .
C41 Si2 C38 110.6(2) . .
C30C Si1B C27B 73.5(5) . .
C30C Si1B C26B 113.2(4) . .
C27B Si1B C26B 114.4(3) . .
C30C Si1B C33B 121.5(4) . .
C27B Si1B C33B 121.1(4) . .
C26B Si1B C33B 109.3(2) . .
C30C Si1B C27C 105.6(5) . .
C27B Si1B C27C 32.1(4) . .
C26B Si1B C27C 100.4(4) . .
C33B Si1B C27C 104.2(4) . .
C30C Si1B C30B 31.2(4) . .
C27B Si1B C30B 104.7(5) . .
C26B Si1B C30B 100.7(4) . .
C33B Si1B C30B 103.8(4) . .
C27C Si1B C30B 136.7(5) . .
C37B Si2B C44B 106.2(2) . .
C37B Si2B C41B 107.7(2) . .
C44B Si2B C41B 111.4(2) . .
C37B Si2B C38B 107.4(2) . .
C44B Si2B C38B 111.2(2) . .
C41B Si2B C38B 112.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.327(5) .
C1 C14 1.425(6) .
C1 C2 1.461(6) .
C2 C3 1.396(6) .
C2 C7 1.406(6) .
C3 C4 1.382(6) .
C3 H3A 0.9300 .
C4 C5 1.394(7) .
C4 H4A 0.9300 .
C5 C6 1.368(7) .
C5 H5A 0.9300 .
C6 C7 1.401(6) .
C6 H6A 0.9300 .
C7 C8 1.471(6) .
C8 C13 1.401(6) .
C8 C9 1.419(6) .
C9 C10 1.359(6) .
C9 H9A 0.9300 .
C10 C11 1.384(6) .
C10 H10A 0.9300 .
C11 C12 1.388(5) .
C11 H11A 0.9300 .
C12 C13 1.385(6) .
C12 H12A 0.9300 .
C13 C14 1.470(5) .
C14 N2 1.317(5) .
C15 N2 1.371(5) .
C15 C16 1.408(5) .
C15 C24 1.414(6) .
C16 C17 1.414(5) .
C16 C36 1.436(6) .
C17 C22 1.418(6) .
C17 C18 1.428(5) .
C18 C19 1.355(5) .
C18 H18A 0.9300 .
C19 C20 1.412(6) .
C19 H19A 0.9300 .
C20 C21 1.357(6) .
C20 H20A 0.9300 .
C21 C22 1.430(5) .
C21 H21A 0.9300 .
C22 C23 1.400(6) .
C23 C24 1.412(5) .
C23 C25 1.440(6) .
C24 N1 1.374(5) .
C25 C26 1.201(6) .
C26 Si1 1.835(5) .
C27 C28 1.540(6) .
C27 C29 1.542(6) .
C27 Si1 1.866(5) .
C27 H27A 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 C32 1.522(7) .
C30 C31 1.546(6) .
C30 Si1 1.881(5) .
C30 H30A 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 C34 1.522(7) .
C33 C35 1.541(6) .
C33 Si1 1.873(4) .
C33 H33A 0.9800 .
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 C37 1.210(6) .
C37 Si2 1.832(5) .
C38 C40 1.518(6) .
C38 C39 1.527(6) .
C38 Si2 1.893(4) .
C38 H38A 0.9800 .
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 C42 1.533(6) .
C41 C43 1.540(5) .
C41 Si2 1.877(5) .
C41 H41A 0.9800 .
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 C46 1.540(6) .
C44 C45 1.545(6) .
C44 Si2 1.871(4) .
C44 H44A 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 .
C1B N1B 1.327(5) .
C1B C14B 1.432(6) .
C1B C2B 1.465(6) .
C2B C3B 1.392(6) .
C2B C7B 1.406(5) .
C3B C4B 1.379(6) .
C3B H3BA 0.9300 .
C4B C5B 1.380(6) .
C4B H4BA 0.9300 .
C5B C6B 1.365(6) .
C5B H5BA 0.9300 .
C6B C7B 1.407(6) .
C6B H6BA 0.9300 .
C7B C8B 1.465(6) .
C8B C13B 1.395(6) .
C8B C9B 1.408(5) .
C9B C10B 1.370(6) .
C9B H9BA 0.9300 .
C10B C11B 1.383(6) .
C10B H10B 0.9300 .
C11B C12B 1.385(5) .
C11B H11B 0.9300 .
C12B C13B 1.390(6) .
C12B H12B 0.9300 .
C13B C14B 1.475(5) .
C14B N2B 1.315(5) .
C15B N2B 1.377(5) .
C15B C16B 1.409(5) .
C15B C24B 1.422(5) .
C16B C17B 1.413(5) .
C16B C36B 1.429(6) .
C17B C22B 1.426(5) .
C17B C18B 1.427(5) .
C18B C19B 1.360(5) .
C18B H18B 0.9300 .
C19B C20B 1.403(6) .
C19B H19B 0.9300 .
C20B C21B 1.364(5) .
C20B H20B 0.9300 .
C21B C22B 1.433(5) .
C21B H21B 0.9300 .
C22B C23B 1.414(5) .
C23B C24B 1.416(5) .
C23B C25B 1.427(6) .
C24B N1B 1.367(5) .
C25B C26B 1.201(6) .
C26B Si1B 1.828(5) .
C27B C29B 1.531(8) .
C27B C28B 1.534(9) .
C27B Si1B 1.794(8) .
C27B H27B 0.9800 .
C27C C29C 1.534(9) .
C27C C28C 1.569(8) .
C27C Si1B 1.985(8) .
C27C H27C 0.9800 .
C28B H28D 0.9600 .
C28B H28E 0.9600 .
C28B H28F 0.9600 .
C29B H29D 0.9600 .
C29B H29E 0.9600 .
C29B H29F 0.9600 .
C28C H28G 0.9600 .
C28C H28H 0.9600 .
C28C H28I 0.9600 .
C29C H29G 0.9600 .
C29C H29H 0.9600 .
C29C H29I 0.9600 .
C30B C31B 1.351(10) .
C30B C32B 1.582(11) .
C30B Si1B 2.014(8) .
C30B H30B 0.9800 .
C30C C31B 1.611(11) .
C30C C32B 1.640(10) .
C30C Si1B 1.765(7) .
C30C H30C 0.9800 .
C31B H31D 0.9600 .
C31B H31E 0.9600 .
C31B H31F 0.9600 .
C32B H32D 0.9600 .
C32B H32E 0.9600 .
C32B H32F 0.9600 .
C33B C34B 1.520(7) .
C33B C35B 1.522(7) .
C33B Si1B 1.860(5) .
C33B H33B 0.9800 .
C34B H34D 0.9600 .
C34B H34E 0.9600 .
C34B H34F 0.9600 .
C35B H35D 0.9600 .
C35B H35E 0.9600 .
C35B H35F 0.9600 .
C36B C37B 1.211(6) .
C37B Si2B 1.824(5) .
C38B C39B 1.517(6) .
C38B C40B 1.538(6) .
C38B Si2B 1.885(5) .
C38B H38B 0.9800 .
C39B H39D 0.9600 .
C39B H39E 0.9600 .
C39B H39F 0.9600 .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C41B C42B 1.533(6) .
C41B C43B 1.541(6) .
C41B Si2B 1.876(5) .
C41B H41B 0.9800 .
C42B H42D 0.9600 .
C42B H42E 0.9600 .
C42B H42F 0.9600 .
C43B H43D 0.9600 .
C43B H43E 0.9600 .
C43B H43F 0.9600 .
C44B C45B 1.532(6) .
C44B C46B 1.536(6) .
C44B Si2B 1.864(5) .
C44B H44B 0.9800 .
C45B H45D 0.9600 .
C45B H45E 0.9600 .
C45B H45F 0.9600 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
C46B H46F 0.9600 .
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
N1 C1 C2 C3 -2.5(7) . . . .
C14 C1 C2 C3 177.3(5) . . . .
N1 C1 C2 C7 176.7(4) . . . .
C14 C1 C2 C7 -3.4(7) . . . .
C7 C2 C3 C4 0.3(8) . . . .
C1 C2 C3 C4 179.5(5) . . . .
C2 C3 C4 C5 -0.3(9) . . . .
C3 C4 C5 C6 0.2(9) . . . .
C4 C5 C6 C7 -0.1(9) . . . .
C5 C6 C7 C2 0.1(8) . . . .
C5 C6 C7 C8 179.4(5) . . . .
C3 C2 C7 C6 -0.1(8) . . . .
C1 C2 C7 C6 -179.4(5) . . . .
C3 C2 C7 C8 -179.5(5) . . . .
C1 C2 C7 C8 1.3(7) . . . .
C6 C7 C8 C13 -178.9(5) . . . .
C2 C7 C8 C13 0.4(8) . . . .
C6 C7 C8 C9 2.5(8) . . . .
C2 C7 C8 C9 -178.3(5) . . . .
C13 C8 C9 C10 1.0(8) . . . .
C7 C8 C9 C10 179.7(5) . . . .
C8 C9 C10 C11 -0.6(9) . . . .
C9 C10 C11 C12 1.0(9) . . . .
C10 C11 C12 C13 -2.1(8) . . . .
C11 C12 C13 C8 2.6(8) . . . .
C11 C12 C13 C14 -178.1(4) . . . .
C9 C8 C13 C12 -2.0(7) . . . .
C7 C8 C13 C12 179.3(4) . . . .
C9 C8 C13 C14 178.7(4) . . . .
C7 C8 C13 C14 0.0(7) . . . .
N1 C1 C14 N2 0.0(8) . . . .
C2 C1 C14 N2 -179.8(5) . . . .
N1 C1 C14 C13 -176.4(4) . . . .
C2 C1 C14 C13 3.8(7) . . . .
C12 C13 C14 N2 2.1(7) . . . .
C8 C13 C14 N2 -178.6(5) . . . .
C12 C13 C14 C1 178.7(4) . . . .
C8 C13 C14 C1 -2.1(7) . . . .
N2 C15 C16 C17 -178.5(4) . . . .
C24 C15 C16 C17 4.6(7) . . . .
N2 C15 C16 C36 4.5(7) . . . .
C24 C15 C16 C36 -172.4(4) . . . .
C15 C16 C17 C22 -5.0(7) . . . .
C36 C16 C17 C22 171.9(4) . . . .
C15 C16 C17 C18 176.4(5) . . . .
C36 C16 C17 C18 -6.7(7) . . . .
C16 C17 C18 C19 -179.7(4) . . . .
C22 C17 C18 C19 1.7(7) . . . .
C17 C18 C19 C20 -1.6(7) . . . .
C18 C19 C20 C21 0.6(8) . . . .
C19 C20 C21 C22 0.4(8) . . . .
C16 C17 C22 C23 1.2(7) . . . .
C18 C17 C22 C23 179.8(5) . . . .
C16 C17 C22 C21 -179.3(4) . . . .
C18 C17 C22 C21 -0.7(7) . . . .
C20 C21 C22 C23 179.2(5) . . . .
C20 C21 C22 C17 -0.3(7) . . . .
C17 C22 C23 C24 3.1(7) . . . .
C21 C22 C23 C24 -176.4(4) . . . .
C17 C22 C23 C25 -174.8(4) . . . .
C21 C22 C23 C25 5.7(8) . . . .
C22 C23 C24 N1 176.0(5) . . . .
C25 C23 C24 N1 -6.0(7) . . . .
C22 C23 C24 C15 -3.5(7) . . . .
C25 C23 C24 C15 174.5(4) . . . .
N2 C15 C24 N1 3.2(7) . . . .
C16 C15 C24 N1 -179.9(5) . . . .
N2 C15 C24 C23 -177.2(4) . . . .
C16 C15 C24 C23 -0.3(7) . . . .
C22 C23 C25 C26 142(5) . . . .
C24 C23 C25 C26 -36(5) . . . .
C23 C25 C26 Si1 -12(7) . . . .
C15 C16 C36 C37 56(5) . . . .
C17 C16 C36 C37 -121(5) . . . .
C16 C36 C37 Si2 -6(7) . . . .
N1B C1B C2B C3B 3.2(7) . . . .
C14B C1B C2B C3B -177.6(4) . . . .
N1B C1B C2B C7B -177.5(4) . . . .
C14B C1B C2B C7B 1.6(7) . . . .
C7B C2B C3B C4B 1.4(8) . . . .
C1B C2B C3B C4B -179.3(5) . . . .
C2B C3B C4B C5B -1.2(8) . . . .
C3B C4B C5B C6B 0.9(8) . . . .
C4B C5B C6B C7B -0.9(9) . . . .
C3B C2B C7B C6B -1.3(7) . . . .
C1B C2B C7B C6B 179.4(5) . . . .
C3B C2B C7B C8B 178.9(4) . . . .
C1B C2B C7B C8B -0.4(7) . . . .
C5B C6B C7B C2B 1.1(8) . . . .
C5B C6B C7B C8B -179.1(5) . . . .
C2B C7B C8B C13B -1.1(7) . . . .
C6B C7B C8B C13B 179.1(5) . . . .
C2B C7B C8B C9B 179.0(4) . . . .
C6B C7B C8B C9B -0.8(8) . . . .
C13B C8B C9B C10B 0.9(7) . . . .
C7B C8B C9B C10B -179.3(5) . . . .
C8B C9B C10B C11B -0.9(8) . . . .
C9B C10B C11B C12B 0.8(8) . . . .
C10B C11B C12B C13B -0.6(8) . . . .
C11B C12B C13B C8B 0.7(8) . . . .
C11B C12B C13B C14B 178.7(4) . . . .
C9B C8B C13B C12B -0.8(7) . . . .
C7B C8B C13B C12B 179.4(4) . . . .
C9B C8B C13B C14B -178.8(4) . . . .
C7B C8B C13B C14B 1.3(7) . . . .
N1B C1B C14B N2B -3.9(8) . . . .
C2B C1B C14B N2B 177.0(5) . . . .
N1B C1B C14B C13B 177.7(4) . . . .
C2B C1B C14B C13B -1.4(7) . . . .
C12B C13B C14B N2B 3.4(7) . . . .
C8B C13B C14B N2B -178.5(5) . . . .
C12B C13B C14B C1B -178.1(4) . . . .
C8B C13B C14B C1B 0.0(7) . . . .
N2B C15B C16B C17B -176.8(4) . . . .
C24B C15B C16B C17B 5.1(7) . . . .
N2B C15B C16B C36B 4.8(7) . . . .
C24B C15B C16B C36B -173.3(4) . . . .
C15B C16B C17B C22B -2.7(7) . . . .
C36B C16B C17B C22B 175.7(4) . . . .
C15B C16B C17B C18B 178.0(5) . . . .
C36B C16B C17B C18B -3.6(7) . . . .
C16B C17B C18B C19B -179.0(4) . . . .
C22B C17B C18B C19B 1.7(7) . . . .
C17B C18B C19B C20B -1.3(7) . . . .
C18B C19B C20B C21B 1.3(8) . . . .
C19B C20B C21B C22B -1.7(8) . . . .
C16B C17B C22B C23B -0.3(7) . . . .
C18B C17B C22B C23B 179.0(5) . . . .
C16B C17B C22B C21B 178.7(4) . . . .
C18B C17B C22B C21B -2.0(7) . . . .
C20B C21B C22B C23B -179.0(5) . . . .
C20B C21B C22B C17B 2.1(7) . . . .
C17B C22B C23B C24B 0.9(7) . . . .
C21B C22B C23B C24B -178.0(4) . . . .
C17B C22B C23B C25B -173.7(4) . . . .
C21B C22B C23B C25B 7.4(7) . . . .
C22B C23B C24B N1B -179.5(5) . . . .
C25B C23B C24B N1B -4.7(7) . . . .
C22B C23B C24B C15B 1.4(7) . . . .
C25B C23B C24B C15B 176.2(4) . . . .
N2B C15B C24B N1B -1.6(7) . . . .
C16B C15B C24B N1B 176.5(5) . . . .
N2B C15B C24B C23B 177.4(4) . . . .
C16B C15B C24B C23B -4.5(7) . . . .
C22B C23B C25B C26B 89(8) . . . .
C24B C23B C25B C26B -86(8) . . . .
C23B C25B C26B Si1B 35(10) . . . .
C32B C30B C31B C30C -69.2(10) . . . .
Si1B C30B C31B C30C 54.2(6) . . . .
C32B C30C C31B C30B 56.0(8) . . . .
Si1B C30C C31B C30B -68.7(8) . . . .
C31B C30B C32B C30C 74.9(10) . . . .
Si1B C30B C32B C30C -52.6(6) . . . .
C31B C30C C32B C30B -48.0(7) . . . .
Si1B C30C C32B C30B 75.9(8) . . . .
C15B C16B C36B C37B 75(6) . . . .
C17B C16B C36B C37B -104(6) . . . .
C16B C36B C37B Si2B -2(9) . . . .
C14 C1 N1 C24 -0.2(7) . . . .
C2 C1 N1 C24 179.7(5) . . . .
C23 C24 N1 C1 179.1(4) . . . .
C15 C24 N1 C1 -1.4(7) . . . .
C1 C14 N2 C15 1.8(7) . . . .
C13 C14 N2 C15 178.2(4) . . . .
C16 C15 N2 C14 179.8(5) . . . .
C24 C15 N2 C14 -3.3(7) . . . .
C14B C1B N1B C24B 2.8(7) . . . .
C2B C1B N1B C24B -178.1(5) . . . .
C23B C24B N1B C1B -179.3(4) . . . .
C15B C24B N1B C1B -0.2(7) . . . .
C1B C14B N2B C15B 1.9(7) . . . .
C13B C14B N2B C15B -179.6(4) . . . .
C16B C15B N2B C14B -177.4(5) . . . .
C24B C15B N2B C14B 0.7(7) . . . .
C25 C26 Si1 C27 -24(2) . . . .
C25 C26 Si1 C33 -144(2) . . . .
C25 C26 Si1 C30 94(2) . . . .
C28 C27 Si1 C26 -175.3(3) . . . .
C29 C27 Si1 C26 58.1(4) . . . .
C28 C27 Si1 C33 -60.2(4) . . . .
C29 C27 Si1 C33 173.2(3) . . . .
C28 C27 Si1 C30 67.2(4) . . . .
C29 C27 Si1 C30 -59.3(4) . . . .
C34 C33 Si1 C26 66.0(4) . . . .
C35 C33 Si1 C26 -58.8(4) . . . .
C34 C33 Si1 C27 -47.3(4) . . . .
C35 C33 Si1 C27 -172.1(4) . . . .
C34 C33 Si1 C30 -174.1(4) . . . .
C35 C33 Si1 C30 61.2(4) . . . .
C32 C30 Si1 C26 30.7(5) . . . .
C31 C30 Si1 C26 158.3(4) . . . .
C32 C30 Si1 C27 144.7(4) . . . .
C31 C30 Si1 C27 -87.6(4) . . . .
C32 C30 Si1 C33 -87.9(4) . . . .
C31 C30 Si1 C33 39.7(5) . . . .
C36 C37 Si2 C44 -153(2) . . . .
C36 C37 Si2 C41 84(2) . . . .
C36 C37 Si2 C38 -35(2) . . . .
C46 C44 Si2 C37 66.2(4) . . . .
C45 C44 Si2 C37 -57.6(4) . . . .
C46 C44 Si2 C41 -172.6(3) . . . .
C45 C44 Si2 C41 63.7(4) . . . .
C46 C44 Si2 C38 -48.5(4) . . . .
C45 C44 Si2 C38 -172.3(3) . . . .
C42 C41 Si2 C37 153.2(3) . . . .
C43 C41 Si2 C37 26.0(4) . . . .
C42 C41 Si2 C44 32.9(4) . . . .
C43 C41 Si2 C44 -94.3(4) . . . .
C42 C41 Si2 C38 -90.9(4) . . . .
C43 C41 Si2 C38 141.9(3) . . . .
C40 C38 Si2 C37 52.4(4) . . . .
C39 C38 Si2 C37 177.3(4) . . . .
C40 C38 Si2 C44 168.8(4) . . . .
C39 C38 Si2 C44 -66.4(4) . . . .
C40 C38 Si2 C41 -66.1(4) . . . .
C39 C38 Si2 C41 58.7(4) . . . .
C31B C30C Si1B C27B -130.5(8) . . . .
C32B C30C Si1B C27B 114.3(8) . . . .
C31B C30C Si1B C26B -20.5(8) . . . .
C32B C30C Si1B C26B -135.7(7) . . . .
C31B C30C Si1B C33B 112.7(7) . . . .
C32B C30C Si1B C33B -2.5(10) . . . .
C31B C30C Si1B C27C -129.3(7) . . . .
C32B C30C Si1B C27C 115.4(8) . . . .
C31B C30C Si1B C30B 51.0(8) . . . .
C32B C30C Si1B C30B -64.3(9) . . . .
C29B C27B Si1B C30C -93.3(8) . . . .
C28B C27B Si1B C30C 151.1(9) . . . .
C29B C27B Si1B C26B 158.3(7) . . . .
C28B C27B Si1B C26B 42.7(9) . . . .
C29B C27B Si1B C33B 24.0(10) . . . .
C28B C27B Si1B C33B -91.6(7) . . . .
C29B C27B Si1B C27C 88.9(12) . . . .
C28B C27B Si1B C27C -26.7(7) . . . .
C29B C27B Si1B C30B -92.5(9) . . . .
C28B C27B Si1B C30B 151.9(7) . . . .
C25B C26B Si1B C30C 4(3) . . . .
C25B C26B Si1B C27B 85(3) . . . .
C25B C26B Si1B C33B -135(3) . . . .
C25B C26B Si1B C27C 116(3) . . . .
C25B C26B Si1B C30B -26(3) . . . .
C34B C33B Si1B C30C -73.5(6) . . . .
C35B C33B Si1B C30C 162.3(5) . . . .
C34B C33B Si1B C27B -162.5(5) . . . .
C35B C33B Si1B C27B 73.4(6) . . . .
C34B C33B Si1B C26B 61.3(5) . . . .
C35B C33B Si1B C26B -62.9(5) . . . .
C34B C33B Si1B C27C 167.8(5) . . . .
C35B C33B Si1B C27C 43.7(6) . . . .
C34B C33B Si1B C30B -45.5(5) . . . .
C35B C33B Si1B C30B -169.7(5) . . . .
C29C C27C Si1B C30C -69.0(9) . . . .
C28C C27C Si1B C30C 62.2(10) . . . .
C29C C27C Si1B C27B -66.9(11) . . . .
C28C C27C Si1B C27B 64.3(10) . . . .
C29C C27C Si1B C26B 173.2(8) . . . .
C28C C27C Si1B C26B -55.6(9) . . . .
C29C C27C Si1B C33B 60.0(9) . . . .
C28C C27C Si1B C33B -168.7(8) . . . .
C29C C27C Si1B C30B -68.8(10) . . . .
C28C C27C Si1B C30B 62.4(11) . . . .
C31B C30B Si1B C30C -67.1(9) . . . .
C32B C30B Si1B C30C 60.8(9) . . . .
C31B C30B Si1B C27B -68.5(9) . . . .
C32B C30B Si1B C27B 59.3(7) . . . .
C31B C30B Si1B C26B 50.5(9) . . . .
C32B C30B Si1B C26B 178.3(5) . . . .
C31B C30B Si1B C33B 163.6(8) . . . .
C32B C30B Si1B C33B -68.6(6) . . . .
C31B C30B Si1B C27C -67.5(11) . . . .
C32B C30B Si1B C27C 60.4(8) . . . .
C36B C37B Si2B C44B 98(3) . . . .
C36B C37B Si2B C41B -22(3) . . . .
C36B C37B Si2B C38B -143(3) . . . .
C45B C44B Si2B C37B -177.8(4) . . . .
C46B C44B Si2B C37B -52.9(4) . . . .
C45B C44B Si2B C41B -60.8(4) . . . .
C46B C44B Si2B C41B 64.1(4) . . . .
C45B C44B Si2B C38B 65.6(4) . . . .
C46B C44B Si2B C38B -169.4(3) . . . .
C42B C41B Si2B C37B -156.2(3) . . . .
C43B C41B Si2B C37B -29.8(4) . . . .
C42B C41B Si2B C44B 87.7(4) . . . .
C43B C41B Si2B C44B -145.9(3) . . . .
C42B C41B Si2B C38B -38.0(4) . . . .
C43B C41B Si2B C38B 88.4(4) . . . .
C39B C38B Si2B C37B 58.8(4) . . . .
C40B C38B Si2B C37B -65.7(4) . . . .
C39B C38B Si2B C44B 174.6(4) . . . .
C40B C38B Si2B C44B 50.1(4) . . . .
C39B C38B Si2B C41B -59.6(4) . . . .
C40B C38B Si2B C41B 175.9(4) . . . .
