#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/70/7117086.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_7117086
loop_
_publ_author_name
'Takayuki Tanaka'
'Atsuhiro Osuka'
_publ_section_title
;
 Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as
 blue-emitting dyes in the solid state
;
_journal_name_full               Chem.Commun.
_journal_page_first              8123
_journal_paper_doi               10.1039/C5cc01625H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         '2(C34 H24 N2 Si), C4 H8 O'
_chemical_formula_sum            'C36 H28 N2 O0.5 Si'
_chemical_formula_weight         524.69
_chemical_name_systematic
'1,2-bis(indol-2-yl)benzene diphenylsilyl complex'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-21 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 108.480(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.767(4)
_cell_length_b                   12.983(2)
_cell_length_c                   19.854(4)
_cell_measurement_reflns_used    2845
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      25.2
_cell_volume                     5321.4(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17542
_diffrn_reflns_theta_full        68.32
_diffrn_reflns_theta_max         68.32
_diffrn_reflns_theta_min         6.69
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.9418
_exptl_absorpt_correction_T_min  0.8158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2208
_exptl_crystal_recrystallization_method 'Vapour Deposition'
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4817
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0537P)²+4.5052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                4530
_reflns_number_total             4817
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc01625h3.cif
_cod_data_source_block           31205t
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C36 H28 N2 O0.50 Si'
_cod_database_code               7117086
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'
'-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
C1 C 0.21077(6) 0.10004(10) 0.05948(6) 0.0173(3) Uani 1 1 d . . .
H1 H 0.1705 0.0673 0.0541 0.021 Uiso 1 1 calc R . .
C2 C 0.25484(7) 0.05816(10) 0.03004(7) 0.0187(3) Uani 1 1 d . . .
H2 H 0.2443 -0.0045 0.0042 0.022 Uiso 1 1 calc R . .
C3 C 0.31442(6) 0.10512(10) 0.03714(7) 0.0194(3) Uani 1 1 d . . .
H3 H 0.3441 0.0732 0.0174 0.023 Uiso 1 1 calc R . .
C4 C 0.33032(6) 0.19770(10) 0.07265(7) 0.0184(3) Uani 1 1 d . . .
H4 H 0.3704 0.2303 0.0769 0.022 Uiso 1 1 calc R . .
C5 C 0.28628(6) 0.24265(10) 0.10226(6) 0.0151(3) Uani 1 1 d . . .
C6 C 0.22746(6) 0.19225(9) 0.09753(6) 0.0146(3) Uani 1 1 d . . .
C7 C 0.28568(6) 0.33881(10) 0.13657(6) 0.0153(3) Uani 1 1 d . . .
H5 H 0.3188 0.3895 0.1469 0.018 Uiso 1 1 calc R . .
C8 C 0.22909(6) 0.34506(9) 0.15195(6) 0.0143(3) Uani 1 1 d . . .
C9 C 0.20510(6) 0.43779(10) 0.17852(6) 0.0147(3) Uani 1 1 d . . .
C10 C 0.21448(6) 0.53149(10) 0.14792(7) 0.0167(3) Uani 1 1 d . . .
H6 H 0.2317 0.5307 0.1096 0.020 Uiso 1 1 calc R . .
C11 C 0.19928(6) 0.62512(10) 0.17214(7) 0.0188(3) Uani 1 1 d . . .
H7 H 0.2061 0.6876 0.1506 0.023 Uiso 1 1 calc R . .
C12 C 0.17402(6) 0.62685(10) 0.22814(7) 0.0190(3) Uani 1 1 d . . .
H8 H 0.1635 0.6906 0.2452 0.023 Uiso 1 1 calc R . .
C13 C 0.16428(6) 0.53502(10) 0.25900(7) 0.0179(3) Uani 1 1 d . . .
H9 H 0.1471 0.5369 0.2974 0.021 Uiso 1 1 calc R . .
C14 C 0.17918(6) 0.43947(10) 0.23508(7) 0.0151(3) Uani 1 1 d . . .
C15 C 0.17117(6) 0.34846(10) 0.27603(7) 0.0154(3) Uani 1 1 d . . .
C16 C 0.18567(6) 0.34415(10) 0.34788(7) 0.0188(3) Uani 1 1 d . . .
H10 H 0.2077 0.3957 0.3806 0.023 Uiso 1 1 calc R . .
C17 C 0.16197(6) 0.24879(10) 0.36535(7) 0.0187(3) Uani 1 1 d . . .
C18 C 0.16032(7) 0.20611(11) 0.42987(7) 0.0238(3) Uani 1 1 d . . .
H11 H 0.1810 0.2400 0.4736 0.029 Uiso 1 1 calc R . .
C19 C 0.12825(7) 0.11444(11) 0.42859(8) 0.0260(3) Uani 1 1 d . . .
H12 H 0.1267 0.0847 0.4718 0.031 Uiso 1 1 calc R . .
C20 C 0.09781(7) 0.06461(11) 0.36393(8) 0.0261(3) Uani 1 1 d . . .
H13 H 0.0756 0.0017 0.3642 0.031 Uiso 1 1 calc R . .
C21 C 0.09907(7) 0.10428(10) 0.29963(8) 0.0219(3) Uani 1 1 d . . .
H14 H 0.0778 0.0701 0.2562 0.026 Uiso 1 1 calc R . .
C22 C 0.13276(6) 0.19661(10) 0.30090(7) 0.0170(3) Uani 1 1 d . . .
N1 N 0.14012(5) 0.25679(8) 0.24482(6) 0.0157(2) Uani 1 1 d . . .
N2 N 0.19237(5) 0.25411(8) 0.13089(5) 0.0146(2) Uani 1 1 d . . .
Si1 Si 0.122888(16) 0.22471(2) 0.154515(17) 0.01401(11) Uani 1 1 d . . .
C23 C 0.10900(6) 0.08430(10) 0.14347(7) 0.0161(3) Uani 1 1 d . . .
C24 C 0.15800(6) 0.01533(10) 0.17910(7) 0.0177(3) Uani 1 1 d . . .
H15 H 0.1975 0.0412 0.2106 0.021 Uiso 1 1 calc R . .
C25 C 0.14984(6) -0.08987(10) 0.16918(7) 0.0193(3) Uani 1 1 d . . .
H16 H 0.1836 -0.1357 0.1936 0.023 Uiso 1 1 calc R . .
C26 C 0.09200(7) -0.12836(10) 0.12325(7) 0.0227(3) Uani 1 1 d . . .
H17 H 0.0864 -0.2005 0.1158 0.027 Uiso 1 1 calc R . .
C27 C 0.04252(7) -0.06139(11) 0.08832(7) 0.0227(3) Uani 1 1 d . . .
H18 H 0.0029 -0.0878 0.0574 0.027 Uiso 1 1 calc R . .
C28 C 0.05090(6) 0.04437(10) 0.09844(7) 0.0184(3) Uani 1 1 d . . .
H19 H 0.0168 0.0898 0.0745 0.022 Uiso 1 1 calc R . .
C29 C 0.05298(6) 0.30096(10) 0.09957(7) 0.0166(3) Uani 1 1 d . . .
C30 C 0.04185(7) 0.30884(10) 0.02645(7) 0.0204(3) Uani 1 1 d . . .
H20 H 0.0721 0.2795 0.0064 0.024 Uiso 1 1 calc R . .
C31 C -0.01239(7) 0.35863(11) -0.01731(8) 0.0252(3) Uani 1 1 d . . .
H21 H -0.0192 0.3635 -0.0669 0.030 Uiso 1 1 calc R . .
C32 C -0.05681(7) 0.40142(11) 0.01160(8) 0.0260(3) Uani 1 1 d . . .
H22 H -0.0943 0.4352 -0.0183 0.031 Uiso 1 1 calc R . .
C33 C -0.04665(7) 0.39497(11) 0.08372(8) 0.0265(3) Uani 1 1 d . . .
H23 H -0.0770 0.4250 0.1034 0.032 Uiso 1 1 calc R . .
C34 C 0.00772(7) 0.34474(11) 0.12776(8) 0.0220(3) Uani 1 1 d . . .
H24 H 0.0142 0.3401 0.1773 0.026 Uiso 1 1 calc R . .
C35 C 0.4923(4) 0.1428(9) 0.2116(6) 0.043(4) Uani 0.50 1 d P A -1
H25 H 0.5258 0.0998 0.2013 0.051 Uiso 0.50 1 calc PR A -1
H26 H 0.4507 0.1054 0.1931 0.051 Uiso 0.50 1 calc PR A -1
O2 O 0.48665(15) 0.2361(3) 0.17120(15) 0.0522(7) Uani 0.50 1 d P A -1
C36 C 0.4855(3) 0.3111(5) 0.2241(3) 0.0505(14) Uani 0.50 1 d P A -1
H27 H 0.4407 0.3216 0.2249 0.061 Uiso 0.50 1 calc PR A -1
H28 H 0.5027 0.3780 0.2140 0.061 Uiso 0.50 1 calc PR A -1
C37 C 0.5088(6) 0.1486(12) 0.2914(7) 0.064(5) Uani 0.50 1 d P A -1
H29 H 0.5456 0.1039 0.3169 0.076 Uiso 0.50 1 calc PR A -1
H30 H 0.4711 0.1352 0.3078 0.076 Uiso 0.50 1 calc PR A -1
C38 C 0.5278(3) 0.2682(4) 0.2943(3) 0.0388(11) Uani 0.50 1 d P A -1
H31 H 0.5188 0.3030 0.3345 0.047 Uiso 0.50 1 calc PR A -1
H32 H 0.5742 0.2767 0.2994 0.047 Uiso 0.50 1 calc PR A -1
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'
O O 0.0492 0.0322 '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
C2 C1 C6 117.90(12) . .
C2 C1 H1 121.1 . .
C6 C1 H1 121.1 . .
C1 C2 C3 122.07(12) . .
C1 C2 H2 119.0 . .
C3 C2 H2 119.0 . .
C4 C3 C2 120.33(12) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 118.87(12) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C4 C5 C6 120.32(12) . .
C4 C5 C7 132.63(12) . .
C6 C5 C7 106.97(11) . .
C1 C6 N2 130.83(12) . .
C1 C6 C5 120.39(11) . .
N2 C6 C5 108.60(11) . .
C8 C7 C5 107.79(11) . .
C8 C7 H5 126.1 . .
C5 C7 H5 126.1 . .
C7 C8 N2 110.54(11) . .
C7 C8 C9 125.22(11) . .
N2 C8 C9 123.84(11) . .
C10 C9 C14 118.82(11) . .
C10 C9 C8 115.86(11) . .
C14 C9 C8 125.10(11) . .
C11 C10 C9 121.79(12) . .
C11 C10 H6 119.1 . .
C9 C10 H6 119.1 . .
C10 C11 C12 119.41(12) . .
C10 C11 H7 120.3 . .
C12 C11 H7 120.3 . .
C11 C12 C13 119.65(12) . .
C11 C12 H8 120.2 . .
C13 C12 H8 120.2 . .
C12 C13 C14 121.76(12) . .
C12 C13 H9 119.1 . .
C14 C13 H9 119.1 . .
C13 C14 C9 118.56(11) . .
C13 C14 C15 116.18(11) . .
C9 C14 C15 125.06(11) . .
C16 C15 N1 110.20(11) . .
C16 C15 C14 125.57(11) . .
N1 C15 C14 123.86(11) . .
C15 C16 C17 108.00(12) . .
C15 C16 H10 126.0 . .
C17 C16 H10 126.0 . .
C18 C17 C22 120.22(13) . .
C18 C17 C16 132.79(13) . .
C22 C17 C16 106.89(11) . .
C19 C18 C17 118.89(14) . .
C19 C18 H11 120.6 . .
C17 C18 H11 120.6 . .
C18 C19 C20 120.38(13) . .
C18 C19 H12 119.8 . .
C20 C19 H12 119.8 . .
C21 C20 C19 122.05(13) . .
C21 C20 H13 119.0 . .
C19 C20 H13 119.0 . .
C20 C21 C22 117.69(13) . .
C20 C21 H14 121.2 . .
C22 C21 H14 121.2 . .
C21 C22 C17 120.70(12) . .
C21 C22 N1 130.50(12) . .
C17 C22 N1 108.61(11) . .
C22 N1 C15 106.20(10) . .
C22 N1 Si1 129.19(9) . .
C15 N1 Si1 124.35(9) . .
C6 N2 C8 105.98(10) . .
C6 N2 Si1 129.82(9) . .
C8 N2 Si1 123.73(8) . .
N1 Si1 N2 107.22(5) . .
N1 Si1 C23 109.14(5) . .
N2 Si1 C23 107.69(5) . .
N1 Si1 C29 110.07(6) . .
N2 Si1 C29 109.98(6) . .
C23 Si1 C29 112.57(6) . .
C28 C23 C24 118.44(12) . .
C28 C23 Si1 121.51(10) . .
C24 C23 Si1 120.03(10) . .
C25 C24 C23 121.09(12) . .
C25 C24 H15 119.5 . .
C23 C24 H15 119.5 . .
C24 C25 C26 119.76(12) . .
C24 C25 H16 120.1 . .
C26 C25 H16 120.1 . .
C27 C26 C25 120.01(12) . .
C27 C26 H17 120.0 . .
C25 C26 H17 120.0 . .
C26 C27 C28 120.07(12) . .
C26 C27 H18 120.0 . .
C28 C27 H18 120.0 . .
C27 C28 C23 120.63(12) . .
C27 C28 H19 119.7 . .
C23 C28 H19 119.7 . .
C30 C29 C34 118.26(12) . .
C30 C29 Si1 119.36(10) . .
C34 C29 Si1 122.19(10) . .
C31 C30 C29 121.25(13) . .
C31 C30 H20 119.4 . .
C29 C30 H20 119.4 . .
C30 C31 C32 119.66(13) . .
C30 C31 H21 120.2 . .
C32 C31 H21 120.2 . .
C33 C32 C31 120.10(13) . .
C33 C32 H22 120.0 . .
C31 C32 H22 120.0 . .
C32 C33 C34 120.33(13) . .
C32 C33 H23 119.8 . .
C34 C33 H23 119.8 . .
C33 C34 C29 120.40(13) . .
C33 C34 H24 119.8 . .
C29 C34 H24 119.8 . .
O2 C35 C37 119.6(13) . .
O2 C35 H25 107.4 . .
C37 C35 H25 107.4 . .
O2 C35 H26 107.4 . .
C37 C35 H26 107.4 . .
H25 C35 H26 107.0 . .
C36 O2 C35 100.4(6) . .
O2 C36 C38 106.0(5) . .
O2 C36 H27 110.5 . .
C38 C36 H27 110.5 . .
O2 C36 H28 110.5 . .
C38 C36 H28 110.5 . .
H27 C36 H28 108.7 . .
C35 C37 C38 93.4(11) . .
C35 C37 H29 113.0 . .
C38 C37 H29 113.0 . .
C35 C37 H30 113.0 . .
C38 C37 H30 113.0 . .
H29 C37 H30 110.4 . .
C36 C38 C37 104.4(7) . .
C36 C38 H31 110.9 . .
C37 C38 H31 110.9 . .
C36 C38 H32 110.9 . .
C37 C38 H32 110.9 . .
H31 C38 H32 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.3830(18) .
C1 C6 1.4007(18) .
C1 H1 0.9500 .
C2 C3 1.3991(19) .
C2 H2 0.9500 .
C3 C4 1.3809(19) .
C3 H3 0.9500 .
C4 C5 1.4007(18) .
C4 H4 0.9500 .
C5 C6 1.4141(18) .
C5 C7 1.4243(18) .
C6 N2 1.4100(16) .
C7 C8 1.3620(18) .
C7 H5 0.9500 .
C8 N2 1.4127(16) .
C8 C9 1.4749(17) .
C9 C10 1.4033(18) .
C9 C14 1.4074(18) .
C10 C11 1.3854(18) .
C10 H6 0.9500 .
C11 C12 1.3878(19) .
C11 H7 0.9500 .
C12 C13 1.3872(19) .
C12 H8 0.9500 .
C13 C14 1.4026(18) .
C13 H9 0.9500 .
C14 C15 1.4757(18) .
C15 C16 1.3610(19) .
C15 N1 1.4113(16) .
C16 C17 1.4257(19) .
C16 H10 0.9500 .
C17 C18 1.4067(19) .
C17 C22 1.4088(19) .
C18 C19 1.376(2) .
C18 H11 0.9500 .
C19 C20 1.402(2) .
C19 H12 0.9500 .
C20 C21 1.385(2) .
C20 H13 0.9500 .
C21 C22 1.4013(19) .
C21 H14 0.9500 .
C22 N1 1.4103(16) .
N1 Si1 1.7613(12) .
N2 Si1 1.7616(11) .
Si1 C23 1.8496(13) .
Si1 C29 1.8528(13) .
C23 C28 1.3966(18) .
C23 C24 1.4006(19) .
C24 C25 1.3833(19) .
C24 H15 0.9500 .
C25 C26 1.392(2) .
C25 H16 0.9500 .
C26 C27 1.387(2) .
C26 H17 0.9500 .
C27 C28 1.3912(19) .
C27 H18 0.9500 .
C28 H19 0.9500 .
C29 C30 1.3977(19) .
C29 C34 1.3987(18) .
C30 C31 1.384(2) .
C30 H20 0.9500 .
C31 C32 1.387(2) .
C31 H21 0.9500 .
C32 C33 1.380(2) .
C32 H22 0.9500 .
C33 C34 1.391(2) .
C33 H23 0.9500 .
C34 H24 0.9500 .
C35 O2 1.436(12) .
C35 C37 1.511(5) .
C35 H25 0.9900 .
C35 H26 0.9900 .
O2 C36 1.438(7) .
C36 C38 1.512(7) .
C36 H27 0.9900 .
C36 H28 0.9900 .
C37 C38 1.602(17) .
C37 H29 0.9900 .
C37 H30 0.9900 .
C38 H31 0.9900 .
C38 H32 0.9900 .
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
C6 C1 C2 C3 -0.18(19) . . . .
C1 C2 C3 C4 -1.87(19) . . . .
C2 C3 C4 C5 0.99(19) . . . .
C3 C4 C5 C6 1.86(19) . . . .
C3 C4 C5 C7 -174.51(13) . . . .
C2 C1 C6 N2 177.56(12) . . . .
C2 C1 C6 C5 3.04(18) . . . .
C4 C5 C6 C1 -3.94(18) . . . .
C7 C5 C6 C1 173.27(11) . . . .
C4 C5 C6 N2 -179.57(11) . . . .
C7 C5 C6 N2 -2.36(14) . . . .
C4 C5 C7 C8 177.05(13) . . . .
C6 C5 C7 C8 0.33(14) . . . .
C5 C7 C8 N2 1.85(14) . . . .
C5 C7 C8 C9 -171.05(11) . . . .
C7 C8 C9 C10 40.02(17) . . . .
N2 C8 C9 C10 -131.96(12) . . . .
C7 C8 C9 C14 -134.41(14) . . . .
N2 C8 C9 C14 53.60(18) . . . .
C14 C9 C10 C11 0.37(19) . . . .
C8 C9 C10 C11 -174.44(12) . . . .
C9 C10 C11 C12 -0.05(19) . . . .
C10 C11 C12 C13 -0.1(2) . . . .
C11 C12 C13 C14 -0.1(2) . . . .
C12 C13 C14 C9 0.44(19) . . . .
C12 C13 C14 C15 175.51(12) . . . .
C10 C9 C14 C13 -0.55(18) . . . .
C8 C9 C14 C13 173.74(11) . . . .
C10 C9 C14 C15 -175.14(11) . . . .
C8 C9 C14 C15 -0.9(2) . . . .
C13 C14 C15 C16 -38.21(18) . . . .
C9 C14 C15 C16 136.49(14) . . . .
C13 C14 C15 N1 134.12(13) . . . .
C9 C14 C15 N1 -51.17(18) . . . .
N1 C15 C16 C17 -1.91(15) . . . .
C14 C15 C16 C17 171.31(12) . . . .
C15 C16 C17 C18 -176.23(14) . . . .
C15 C16 C17 C22 -0.02(15) . . . .
C22 C17 C18 C19 -1.8(2) . . . .
C16 C17 C18 C19 174.00(14) . . . .
C17 C18 C19 C20 0.0(2) . . . .
C18 C19 C20 C21 0.5(2) . . . .
C19 C20 C21 C22 0.7(2) . . . .
C20 C21 C22 C17 -2.47(19) . . . .
C20 C21 C22 N1 -177.03(13) . . . .
C18 C17 C22 C21 3.06(19) . . . .
C16 C17 C22 C21 -173.71(12) . . . .
C18 C17 C22 N1 178.70(12) . . . .
C16 C17 C22 N1 1.93(14) . . . .
C21 C22 N1 C15 172.04(13) . . . .
C17 C22 N1 C15 -3.03(14) . . . .
C21 C22 N1 Si1 -13.8(2) . . . .
C17 C22 N1 Si1 171.12(9) . . . .
C16 C15 N1 C22 3.07(14) . . . .
C14 C15 N1 C22 -170.29(11) . . . .
C16 C15 N1 Si1 -171.44(9) . . . .
C14 C15 N1 Si1 15.20(17) . . . .
C1 C6 N2 C8 -171.61(13) . . . .
C5 C6 N2 C8 3.40(13) . . . .
C1 C6 N2 Si1 16.2(2) . . . .
C5 C6 N2 Si1 -168.75(9) . . . .
C7 C8 N2 C6 -3.27(13) . . . .
C9 C8 N2 C6 169.74(11) . . . .
C7 C8 N2 Si1 169.48(9) . . . .
C9 C8 N2 Si1 -17.50(16) . . . .
C22 N1 Si1 N2 -128.93(11) . . . .
C15 N1 Si1 N2 44.26(11) . . . .
C22 N1 Si1 C23 -12.56(13) . . . .
C15 N1 Si1 C23 160.63(10) . . . .
C22 N1 Si1 C29 111.46(11) . . . .
C15 N1 Si1 C29 -75.36(11) . . . .
C6 N2 Si1 N1 127.94(11) . . . .
C8 N2 Si1 N1 -42.98(11) . . . .
C6 N2 Si1 C23 10.61(12) . . . .
C8 N2 Si1 C23 -160.31(10) . . . .
C6 N2 Si1 C29 -112.40(11) . . . .
C8 N2 Si1 C29 76.69(11) . . . .
N1 Si1 C23 C28 121.89(10) . . . .
N2 Si1 C23 C28 -122.04(10) . . . .
C29 Si1 C23 C28 -0.63(12) . . . .
N1 Si1 C23 C24 -59.96(11) . . . .
N2 Si1 C23 C24 56.12(11) . . . .
C29 Si1 C23 C24 177.52(10) . . . .
C28 C23 C24 C25 1.18(18) . . . .
Si1 C23 C24 C25 -177.03(10) . . . .
C23 C24 C25 C26 -0.20(19) . . . .
C24 C25 C26 C27 -0.8(2) . . . .
C25 C26 C27 C28 0.8(2) . . . .
C26 C27 C28 C23 0.2(2) . . . .
C24 C23 C28 C27 -1.19(19) . . . .
Si1 C23 C28 C27 177.00(10) . . . .
N1 Si1 C29 C30 162.92(10) . . . .
N2 Si1 C29 C30 45.01(12) . . . .
C23 Si1 C29 C30 -75.08(11) . . . .
N1 Si1 C29 C34 -22.11(12) . . . .
N2 Si1 C29 C34 -140.03(11) . . . .
C23 Si1 C29 C34 99.88(12) . . . .
C34 C29 C30 C31 0.1(2) . . . .
Si1 C29 C30 C31 175.22(10) . . . .
C29 C30 C31 C32 -0.2(2) . . . .
C30 C31 C32 C33 0.5(2) . . . .
C31 C32 C33 C34 -0.7(2) . . . .
C32 C33 C34 C29 0.5(2) . . . .
C30 C29 C34 C33 -0.2(2) . . . .
Si1 C29 C34 C33 -175.25(11) . . . .
C37 C35 O2 C36 -12.4(5) . . . .
C35 O2 C36 C38 32.7(5) . . . .
O2 C35 C37 C38 -11.8(5) . . . .
O2 C36 C38 C37 -42.5(5) . . . .
C35 C37 C38 C36 30.3(5) . . . .
