#------------------------------------------------------------------------------
#$Date: 2019-08-28 11:06:05 +0300 (Wed, 28 Aug 2019) $
#$Revision: 217784 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/35/7233514.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_7233514
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            'C36 H52 N2 Si2'
_chemical_formula_weight         568.98
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.065(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5474(8)
_cell_length_b                   14.9254(9)
_cell_length_c                   16.2869(10)
_cell_measurement_reflns_used    1960
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      62.02
_cell_measurement_theta_min      3.06
_cell_volume                     3509.5(4)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18087
_diffrn_reflns_theta_full        24.55
_diffrn_reflns_theta_max         24.55
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  0.9912
_exptl_absorpt_correction_T_min  0.9656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0020(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5539
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1667
_reflns_number_gt                4101
_reflns_number_total             5539
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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      P2(1)/c
_cod_database_code               7233514
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7167(2) 1.01444(19) 0.04875(18) 0.0397(7) Uani 1 1 d . . .
C2 C 0.7966(2) 0.96316(19) 0.03302(17) 0.0367(7) Uani 1 1 d . . .
C3 C 0.80037(19) 0.89817(17) 0.16134(16) 0.0293(6) Uani 1 1 d . . .
C4 C 0.84295(19) 0.83870(17) 0.22154(16) 0.0302(6) Uani 1 1 d . . .
C5 C 0.81119(19) 0.83485(17) 0.30038(17) 0.0313(6) Uani 1 1 d . . .
C6 C 0.8531(2) 0.77751(19) 0.36386(18) 0.0383(7) Uani 1 1 d . . .
H6A H 0.9023 0.7392 0.3528 0.046 Uiso 1 1 calc R . .
C7 C 0.8242(2) 0.7764(2) 0.44027(19) 0.0454(8) Uani 1 1 d . . .
H7A H 0.8540 0.7385 0.4823 0.055 Uiso 1 1 calc R . .
C8 C 0.7498(2) 0.8316(2) 0.45693(19) 0.0464(8) Uani 1 1 d . . .
H8A H 0.7296 0.8301 0.5102 0.056 Uiso 1 1 calc R . .
C9 C 0.7069(2) 0.8865(2) 0.39824(18) 0.0407(7) Uani 1 1 d . . .
H9A H 0.6569 0.9229 0.4108 0.049 Uiso 1 1 calc R . .
C10 C 0.73560(19) 0.89054(17) 0.31768(17) 0.0323(6) Uani 1 1 d . . .
C11 C 0.69220(19) 0.94808(18) 0.25617(17) 0.0322(6) Uani 1 1 d . . .
C12 C 0.72457(19) 0.95148(17) 0.17790(17) 0.0308(6) Uani 1 1 d . . .
C13 C 0.6164(2) 1.00351(19) 0.27214(18) 0.0382(7) Uani 1 1 d . . .
C14 C 0.5523(2) 1.0499(2) 0.28779(19) 0.0440(8) Uani 1 1 d . . .
C15 C 0.4337(2) 1.1921(2) 0.2033(2) 0.0517(9) Uani 1 1 d . . .
H15A H 0.3792 1.2319 0.2078 0.062 Uiso 1 1 calc R . .
C16 C 0.4106(3) 1.1324(3) 0.1269(2) 0.0806(13) Uani 1 1 d . . .
H16A H 0.3999 1.1700 0.0773 0.121 Uiso 1 1 calc R . .
H16B H 0.3547 1.0975 0.1327 0.121 Uiso 1 1 calc R . .
H16C H 0.4624 1.0916 0.1220 0.121 Uiso 1 1 calc R . .
C17 C 0.5163(3) 1.2517(3) 0.1917(3) 0.0909(15) Uani 1 1 d . . .
H17A H 0.5025 1.2867 0.1408 0.136 Uiso 1 1 calc R . .
H17B H 0.5709 1.2142 0.1878 0.136 Uiso 1 1 calc R . .
H17C H 0.5286 1.2923 0.2391 0.136 Uiso 1 1 calc R . .
C18 C 0.4821(5) 1.1928(4) 0.3934(3) 0.138(3) Uani 1 1 d . . .
H18 H 0.4446 1.1576 0.4297 0.166 Uiso 1 1 calc R . .
C19 C 0.5624(4) 1.1874(4) 0.4434(4) 0.120(2) Uani 1 1 d . . .
H19A H 0.5605 1.2277 0.4907 0.181 Uiso 1 1 calc R . .
H19B H 0.6135 1.2049 0.4128 0.181 Uiso 1 1 calc R . .
H19C H 0.5719 1.1257 0.4633 0.181 Uiso 1 1 calc R . .
C20 C 0.4255(4) 1.2786(3) 0.3935(3) 0.0901(16) Uani 1 1 d . . .
H20A H 0.4419 1.3104 0.4459 0.135 Uiso 1 1 calc R . .
H20B H 0.3594 1.2638 0.3870 0.135 Uiso 1 1 calc R . .
H20C H 0.4389 1.3170 0.3475 0.135 Uiso 1 1 calc R . .
C21 C 0.3518(3) 1.0430(4) 0.3044(3) 0.0912(16) Uani 1 1 d . . .
H21A H 0.3500 1.0057 0.2532 0.109 Uiso 1 1 calc R . .
C22 C 0.3612(4) 0.9779(3) 0.3726(3) 0.0990(16) Uani 1 1 d . . .
H22A H 0.3060 0.9397 0.3685 0.148 Uiso 1 1 calc R . .
H22B H 0.3677 1.0099 0.4256 0.148 Uiso 1 1 calc R . .
H22C H 0.4161 0.9406 0.3693 0.148 Uiso 1 1 calc R . .
C23 C 0.2584(3) 1.0924(4) 0.2953(3) 0.0978(17) Uani 1 1 d . . .
H23A H 0.2081 1.0489 0.2972 0.147 Uiso 1 1 calc R . .
H23B H 0.2497 1.1243 0.2423 0.147 Uiso 1 1 calc R . .
H23C H 0.2576 1.1354 0.3407 0.147 Uiso 1 1 calc R . .
C24 C 0.9197(2) 0.78567(17) 0.20404(16) 0.0318(6) Uani 1 1 d . . .
C25 C 0.9846(2) 0.73949(19) 0.19117(17) 0.0365(7) Uani 1 1 d . . .
C26 C 1.0820(2) 0.6665(2) 0.05425(18) 0.0445(8) Uani 1 1 d . . .
H26A H 1.0261 0.6317 0.0308 0.053 Uiso 1 1 calc R . .
C27 C 1.1656(3) 0.6163(3) 0.0285(2) 0.0676(11) Uani 1 1 d . . .
H27A H 1.1631 0.6176 -0.0319 0.101 Uiso 1 1 calc R . .
H27B H 1.1644 0.5540 0.0473 0.101 Uiso 1 1 calc R . .
H27C H 1.2228 0.6451 0.0535 0.101 Uiso 1 1 calc R . .
C28 C 1.0719(3) 0.7598(3) 0.0139(2) 0.0571(9) Uani 1 1 d . . .
H28A H 1.0726 0.7541 -0.0460 0.086 Uiso 1 1 calc R . .
H28B H 1.1235 0.7980 0.0371 0.086 Uiso 1 1 calc R . .
H28C H 1.0132 0.7868 0.0248 0.086 Uiso 1 1 calc R . .
C29 C 1.1920(2) 0.7125(2) 0.22690(18) 0.0428(8) Uani 1 1 d . . .
H29A H 1.2429 0.6710 0.2155 0.051 Uiso 1 1 calc R . .
C30 C 1.1925(3) 0.7153(3) 0.3201(2) 0.0648(11) Uani 1 1 d . . .
H30A H 1.2519 0.7393 0.3458 0.097 Uiso 1 1 calc R . .
H30B H 1.1840 0.6546 0.3408 0.097 Uiso 1 1 calc R . .
H30C H 1.1421 0.7539 0.3338 0.097 Uiso 1 1 calc R . .
C31 C 1.2169(3) 0.8048(3) 0.1969(2) 0.0761(13) Uani 1 1 d . . .
H31A H 1.2751 0.8248 0.2283 0.114 Uiso 1 1 calc R . .
H31B H 1.1675 0.8473 0.2053 0.114 Uiso 1 1 calc R . .
H31C H 1.2242 0.8020 0.1380 0.114 Uiso 1 1 calc R . .
C32 C 1.0557(2) 0.5502(2) 0.20772(19) 0.0429(8) Uani 1 1 d . . .
H32A H 1.1165 0.5186 0.2194 0.051 Uiso 1 1 calc R . .
C33 C 1.0117(3) 0.5505(2) 0.2887(2) 0.0549(9) Uani 1 1 d . . .
H33A H 1.0006 0.4887 0.3052 0.082 Uiso 1 1 calc R . .
H33B H 0.9528 0.5831 0.2805 0.082 Uiso 1 1 calc R . .
H33C H 1.0537 0.5799 0.3322 0.082 Uiso 1 1 calc R . .
C34 C 0.9957(3) 0.4941(2) 0.1433(2) 0.0619(10) Uani 1 1 d . . .
H34A H 0.9854 0.4348 0.1664 0.093 Uiso 1 1 calc R . .
H34B H 1.0273 0.4874 0.0939 0.093 Uiso 1 1 calc R . .
H34C H 0.9360 0.5240 0.1284 0.093 Uiso 1 1 calc R . .
C35 C 0.6710(3) 1.0796(2) -0.0137(2) 0.0597(10) Uani 1 1 d . . .
H35A H 0.6181 1.1076 0.0080 0.090 Uiso 1 1 calc R . .
H35B H 0.6496 1.0479 -0.0651 0.090 Uiso 1 1 calc R . .
H35C H 0.7157 1.1260 -0.0246 0.090 Uiso 1 1 calc R . .
C36 C 0.8397(3) 0.9749(2) -0.04542(19) 0.0503(9) Uani 1 1 d . . .
H36A H 0.8930 0.9347 -0.0449 0.075 Uiso 1 1 calc R . .
H36B H 0.8602 1.0371 -0.0497 0.075 Uiso 1 1 calc R . .
H36C H 0.7940 0.9606 -0.0930 0.075 Uiso 1 1 calc R . .
N1 N 0.68187(17) 1.00871(15) 0.11890(15) 0.0378(6) Uani 1 1 d . . .
N2 N 0.83568(16) 0.90527(15) 0.08665(14) 0.0332(6) Uani 1 1 d . . .
Si1 Si 0.45354(6) 1.12275(6) 0.29964(5) 0.0449(3) Uani 1 1 d . . .
Si2 Si 1.08117(5) 0.66641(5) 0.16994(5) 0.0326(2) 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 0.0033 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
N1 C1 C2 121.9(3) . .
N1 C1 C35 116.6(3) . .
C2 C1 C35 121.5(3) . .
N2 C2 C1 121.7(3) . .
N2 C2 C36 116.9(3) . .
C1 C2 C36 121.3(3) . .
N2 C3 C4 118.8(2) . .
N2 C3 C12 120.6(2) . .
C4 C3 C12 120.6(2) . .
C3 C4 C5 119.4(3) . .
C3 C4 C24 119.9(2) . .
C5 C4 C24 120.6(2) . .
C4 C5 C6 121.6(3) . .
C4 C5 C10 119.8(2) . .
C6 C5 C10 118.5(3) . .
C7 C6 C5 121.3(3) . .
C7 C6 H6A 119.4 . .
C5 C6 H6A 119.4 . .
C6 C7 C8 119.9(3) . .
C6 C7 H7A 120.1 . .
C8 C7 H7A 120.1 . .
C9 C8 C7 121.1(3) . .
C9 C8 H8A 119.5 . .
C7 C8 H8A 119.5 . .
C8 C9 C10 120.9(3) . .
C8 C9 H9A 119.6 . .
C10 C9 H9A 119.6 . .
C11 C10 C9 121.6(3) . .
C11 C10 C5 120.1(2) . .
C9 C10 C5 118.4(3) . .
C10 C11 C12 119.6(3) . .
C10 C11 C13 120.8(3) . .
C12 C11 C13 119.6(3) . .
N1 C12 C3 120.8(3) . .
N1 C12 C11 118.7(3) . .
C3 C12 C11 120.4(2) . .
C14 C13 C11 178.3(3) . .
C13 C14 Si1 173.9(3) . .
C17 C15 C16 109.7(3) . .
C17 C15 Si1 112.5(3) . .
C16 C15 Si1 110.7(3) . .
C17 C15 H15A 107.9 . .
C16 C15 H15A 107.9 . .
Si1 C15 H15A 107.9 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C20 118.7(5) . .
C19 C18 Si1 123.8(4) . .
C20 C18 Si1 114.1(3) . .
C19 C18 H18 96.2 . .
C20 C18 H18 96.2 . .
Si1 C18 H18 96.2 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C23 112.9(4) . .
C22 C21 Si1 116.3(4) . .
C23 C21 Si1 112.2(4) . .
C22 C21 H21A 104.7 . .
C23 C21 H21A 104.7 . .
Si1 C21 H21A 104.7 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C4 178.2(3) . .
C24 C25 Si2 178.2(3) . .
C27 C26 C28 111.3(3) . .
C27 C26 Si2 112.1(2) . .
C28 C26 Si2 114.6(2) . .
C27 C26 H26A 106.1 . .
C28 C26 H26A 106.1 . .
Si2 C26 H26A 106.1 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C31 108.8(3) . .
C30 C29 Si2 113.6(2) . .
C31 C29 Si2 113.3(2) . .
C30 C29 H29A 106.9 . .
C31 C29 H29A 106.9 . .
Si2 C29 H29A 106.9 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C34 C32 C33 109.2(3) . .
C34 C32 Si2 113.4(2) . .
C33 C32 Si2 113.3(2) . .
C34 C32 H32A 106.8 . .
C33 C32 H32A 106.8 . .
Si2 C32 H32A 106.8 . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C1 C35 H35A 109.5 . .
C1 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C1 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C2 C36 H36A 109.5 . .
C2 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C2 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C1 N1 C12 117.4(3) . .
C2 N2 C3 117.4(2) . .
C14 Si1 C18 108.79(18) . .
C14 Si1 C15 106.38(15) . .
C18 Si1 C15 112.0(2) . .
C14 Si1 C21 104.83(18) . .
C18 Si1 C21 114.5(3) . .
C15 Si1 C21 109.80(18) . .
C25 Si2 C26 106.56(13) . .
C25 Si2 C29 108.45(14) . .
C26 Si2 C29 112.39(14) . .
C25 Si2 C32 107.27(14) . .
C26 Si2 C32 110.57(14) . .
C29 Si2 C32 111.32(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.308(4) .
C1 C2 1.441(4) .
C1 C35 1.502(4) .
C2 N2 1.308(4) .
C2 C36 1.501(4) .
C3 N2 1.382(4) .
C3 C4 1.408(4) .
C3 C12 1.412(4) .
C4 C5 1.418(4) .
C4 C24 1.426(4) .
C5 C6 1.421(4) .
C5 C10 1.434(4) .
C6 C7 1.362(4) .
C6 H6A 0.9500 .
C7 C8 1.413(4) .
C7 H7A 0.9500 .
C8 C9 1.353(4) .
C8 H8A 0.9500 .
C9 C10 1.426(4) .
C9 H9A 0.9500 .
C10 C11 1.409(4) .
C11 C12 1.413(4) .
C11 C13 1.428(4) .
C12 N1 1.375(4) .
C13 C14 1.213(4) .
C14 Si1 1.831(3) .
C15 C17 1.524(6) .
C15 C16 1.533(5) .
C15 Si1 1.873(3) .
C15 H15A 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.342(6) .
C18 C20 1.523(6) .
C18 Si1 1.855(4) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.470(6) .
C21 C23 1.538(6) .
C21 Si1 1.908(5) .
C21 H21A 1.0000 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.208(4) .
C25 Si2 1.844(3) .
C26 C27 1.531(5) .
C26 C28 1.539(5) .
C26 Si2 1.886(3) .
C26 H26A 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.517(5) .
C29 C31 1.521(5) .
C29 Si2 1.888(3) .
C29 H29A 1.0000 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C34 1.529(5) .
C32 C33 1.535(5) .
C32 Si2 1.893(3) .
C32 H32A 1.0000 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
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 N2 3.2(4) . . . .
C35 C1 C2 N2 -178.9(3) . . . .
N1 C1 C2 C36 -175.8(3) . . . .
C35 C1 C2 C36 2.0(4) . . . .
N2 C3 C4 C5 176.0(2) . . . .
C12 C3 C4 C5 -2.2(4) . . . .
N2 C3 C4 C24 -1.5(4) . . . .
C12 C3 C4 C24 -179.7(2) . . . .
C3 C4 C5 C6 -178.5(2) . . . .
C24 C4 C5 C6 -1.1(4) . . . .
C3 C4 C5 C10 0.7(4) . . . .
C24 C4 C5 C10 178.2(2) . . . .
C4 C5 C6 C7 177.8(3) . . . .
C10 C5 C6 C7 -1.5(4) . . . .
C5 C6 C7 C8 1.4(5) . . . .
C6 C7 C8 C9 -0.5(5) . . . .
C7 C8 C9 C10 -0.2(5) . . . .
C8 C9 C10 C11 -179.3(3) . . . .
C8 C9 C10 C5 0.0(4) . . . .
C4 C5 C10 C11 0.8(4) . . . .
C6 C5 C10 C11 -179.9(3) . . . .
C4 C5 C10 C9 -178.5(3) . . . .
C6 C5 C10 C9 0.8(4) . . . .
C9 C10 C11 C12 178.4(3) . . . .
C5 C10 C11 C12 -1.0(4) . . . .
C9 C10 C11 C13 -1.1(4) . . . .
C5 C10 C11 C13 179.5(2) . . . .
N2 C3 C12 N1 2.8(4) . . . .
C4 C3 C12 N1 -179.0(2) . . . .
N2 C3 C12 C11 -176.1(3) . . . .
C4 C3 C12 C11 2.1(4) . . . .
C10 C11 C12 N1 -179.4(2) . . . .
C13 C11 C12 N1 0.1(4) . . . .
C10 C11 C12 C3 -0.5(4) . . . .
C13 C11 C12 C3 179.0(2) . . . .
C10 C11 C13 C14 6(11) . . . .
C12 C11 C13 C14 -174(100) . . . .
C11 C13 C14 Si1 -176(100) . . . .
C3 C4 C24 C25 -172(10) . . . .
C5 C4 C24 C25 10(10) . . . .
C4 C24 C25 Si2 88(14) . . . .
C2 C1 N1 C12 0.0(4) . . . .
C35 C1 N1 C12 -177.9(3) . . . .
C3 C12 N1 C1 -2.9(4) . . . .
C11 C12 N1 C1 176.1(3) . . . .
C1 C2 N2 C3 -3.3(4) . . . .
C36 C2 N2 C3 175.8(3) . . . .
C4 C3 N2 C2 -177.8(2) . . . .
C12 C3 N2 C2 0.4(4) . . . .
C13 C14 Si1 C18 -137(3) . . . .
C13 C14 Si1 C15 -16(3) . . . .
C13 C14 Si1 C21 100(3) . . . .
C19 C18 Si1 C14 -1.1(8) . . . .
C20 C18 Si1 C14 157.7(5) . . . .
C19 C18 Si1 C15 -118.4(7) . . . .
C20 C18 Si1 C15 40.4(6) . . . .
C19 C18 Si1 C21 115.8(7) . . . .
C20 C18 Si1 C21 -85.5(6) . . . .
C17 C15 Si1 C14 -62.0(3) . . . .
C16 C15 Si1 C14 61.1(3) . . . .
C17 C15 Si1 C18 56.7(4) . . . .
C16 C15 Si1 C18 179.8(3) . . . .
C17 C15 Si1 C21 -175.0(3) . . . .
C16 C15 Si1 C21 -51.8(3) . . . .
C22 C21 Si1 C14 60.5(4) . . . .
C23 C21 Si1 C14 -167.5(3) . . . .
C22 C21 Si1 C18 -58.7(5) . . . .
C23 C21 Si1 C18 73.3(4) . . . .
C22 C21 Si1 C15 174.4(4) . . . .
C23 C21 Si1 C15 -53.6(4) . . . .
C24 C25 Si2 C26 68(8) . . . .
C24 C25 Si2 C29 -171(8) . . . .
C24 C25 Si2 C32 -50(8) . . . .
C27 C26 Si2 C25 173.8(3) . . . .
C28 C26 Si2 C25 45.8(3) . . . .
C27 C26 Si2 C29 55.2(3) . . . .
C28 C26 Si2 C29 -72.9(3) . . . .
C27 C26 Si2 C32 -69.9(3) . . . .
C28 C26 Si2 C32 162.0(2) . . . .
C30 C29 Si2 C25 61.0(3) . . . .
C31 C29 Si2 C25 -63.9(3) . . . .
C30 C29 Si2 C26 178.6(2) . . . .
C31 C29 Si2 C26 53.7(3) . . . .
C30 C29 Si2 C32 -56.7(3) . . . .
C31 C29 Si2 C32 178.4(3) . . . .
C34 C32 Si2 C25 86.8(3) . . . .
C33 C32 Si2 C25 -38.4(3) . . . .
C34 C32 Si2 C26 -29.0(3) . . . .
C33 C32 Si2 C26 -154.2(2) . . . .
C34 C32 Si2 C29 -154.7(2) . . . .
C33 C32 Si2 C29 80.1(3) . . . .
