#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:29:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178872 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/01/4110188.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_4110188
loop_
_publ_author_name
'Aiko Fukazawa'
'Yongming Li'
'Shigehiro Yamaguchi'
'Hayato Tsuji'
'Kohei Tamao'
_publ_section_title
;
 Coplanar Oligo(p-phenylenedisilenylene)s Based on the
 Octaethyl-Substituteds-Hydrindacenyl Groups
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14164
_journal_page_last               14165
_journal_paper_doi               10.1021/ja0764207
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C68 H100 Si2'
_chemical_formula_sum            'C68 H100 Si2'
_chemical_formula_weight         973.66
_chemical_melting_point          559
_chemical_name_systematic
; 
(E)-1,2-Bis{(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)}-
1,2-diphenyldisilene 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.982(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.639(5)
_cell_length_b                   14.481(5)
_cell_length_c                   16.752(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2948(2)
_computing_cell_refinement       'Crystal Clear (Rigaku Corp)'
_computing_data_collection       'Crystal Clear (Rigaku Corp)'
_computing_data_reduction        'Crystal Clear (Rigaku Corp)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, 2005)'
_computing_publication_material  SHELXS97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19954
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.9613
_exptl_absorpt_correction_T_min  0.9520
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5485
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0779
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0696P)²+2.9437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1792
_refine_ls_wR_factor_ref         0.1835
_reflns_number_gt                5144
_reflns_number_total             5485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0764207si20070827_032859.cif
_cod_data_source_block           disilastilbene
_cod_database_code               4110188
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Si1 Si 0.98322(6) 0.44887(5) 0.04181(4) 0.0195(2) Uani 1 1 d .
C1 C 0.9711(2) 0.32467(19) 0.00945(17) 0.0221(6) Uani 1 1 d .
C2 C 0.9487(2) 0.2567(2) 0.0609(2) 0.0307(7) Uani 1 1 d .
H1 H 0.9404 0.2735 0.1137 0.037 Uiso 1 1 calc R
C3 C 0.9383(3) 0.1651(2) 0.0369(2) 0.0372(8) Uani 1 1 d .
H2 H 0.9230 0.1198 0.0732 0.045 Uiso 1 1 calc R
C4 C 0.9499(2) 0.1390(2) -0.0392(2) 0.0371(8) Uani 1 1 d .
H3 H 0.9426 0.0759 -0.0553 0.045 Uiso 1 1 calc R
C5 C 0.9722(2) 0.2051(2) -0.09270(19) 0.0341(7) Uani 1 1 d .
H4 H 0.9795 0.1877 -0.1456 0.041 Uiso 1 1 calc R
C6 C 0.9836(2) 0.2972(2) -0.06766(18) 0.0262(6) Uani 1 1 d .
H5 H 1.0002 0.3423 -0.1036 0.031 Uiso 1 1 calc R
C7 C 0.9578(2) 0.48027(17) 0.14570(15) 0.0163(5) Uani 1 1 d .
C8 C 1.0473(2) 0.48819(17) 0.21891(15) 0.0161(5) Uani 1 1 d .
C9 C 1.0287(2) 0.51885(17) 0.29355(15) 0.0173(5) Uani 1 1 d .
C10 C 0.9245(2) 0.54261(19) 0.29803(16) 0.0206(6) Uani 1 1 d .
H6 H 0.9136 0.5645 0.3486 0.025 Uiso 1 1 calc R
C11 C 0.8363(2) 0.53417(18) 0.22790(16) 0.0184(5) Uani 1 1 d .
C12 C 0.8510(2) 0.50326(17) 0.15226(15) 0.0165(5) Uani 1 1 d .
C13 C 1.1723(2) 0.47227(18) 0.23220(15) 0.0181(5) Uani 1 1 d .
C14 C 1.2187(2) 0.4798(2) 0.32810(16) 0.0223(6) Uani 1 1 d .
H7 H 1.2335 0.4174 0.3527 0.027 Uiso 1 1 calc R
H8 H 1.2887 0.5148 0.3422 0.027 Uiso 1 1 calc R
C15 C 1.1334(2) 0.52986(19) 0.36345(15) 0.0196(6) Uani 1 1 d .
C16 C 0.7382(2) 0.50647(18) 0.08506(15) 0.0183(5) Uani 1 1 d .
C17 C 0.6559(2) 0.52178(19) 0.13836(16) 0.0205(6) Uani 1 1 d .
H9 H 0.5965 0.5644 0.1093 0.025 Uiso 1 1 calc R
H10 H 0.6221 0.4623 0.1469 0.025 Uiso 1 1 calc R
C18 C 0.7190(2) 0.56303(19) 0.22264(16) 0.0205(6) Uani 1 1 d .
C19 C 1.2206(2) 0.55028(19) 0.18839(16) 0.0213(6) Uani 1 1 d .
H11 H 1.1863 0.5453 0.1278 0.026 Uiso 1 1 calc R
H12 H 1.1982 0.6105 0.2065 0.026 Uiso 1 1 calc R
C20 C 1.3451(2) 0.5510(2) 0.2035(2) 0.0313(7) Uani 1 1 d .
H27 H 1.3807 0.5552 0.2633 0.047 Uiso 1 1 calc R
H28 H 1.3664 0.6043 0.1754 0.047 Uiso 1 1 calc R
H29 H 1.3683 0.4940 0.1817 0.047 Uiso 1 1 calc R
C21 C 1.1995(2) 0.37730(19) 0.20057(17) 0.0232(6) Uani 1 1 d .
H13 H 1.1661 0.3746 0.1398 0.028 Uiso 1 1 calc R
H14 H 1.2803 0.3729 0.2106 0.028 Uiso 1 1 calc R
C22 C 1.1606(3) 0.2934(2) 0.2398(2) 0.0327(7) Uani 1 1 d .
H30 H 1.2119 0.2814 0.2944 0.049 Uiso 1 1 calc R
H31 H 1.1578 0.2394 0.2040 0.049 Uiso 1 1 calc R
H32 H 1.0871 0.3054 0.2462 0.049 Uiso 1 1 calc R
C23 C 1.1573(2) 0.6345(2) 0.37676(17) 0.0261(6) Uani 1 1 d .
H15 H 1.1633 0.6613 0.3238 0.031 Uiso 1 1 calc R
H16 H 1.0935 0.6639 0.3900 0.031 Uiso 1 1 calc R
C24 C 1.2610(3) 0.6596(2) 0.4449(2) 0.0394(8) Uani 1 1 d .
H33 H 1.2496 0.6464 0.4993 0.059 Uiso 1 1 calc R
H34 H 1.2768 0.7255 0.4412 0.059 Uiso 1 1 calc R
H35 H 1.3231 0.6231 0.4379 0.059 Uiso 1 1 calc R
C25 C 1.1255(2) 0.4866(2) 0.44649(16) 0.0270(6) Uani 1 1 d .
H17 H 1.1998 0.4869 0.4861 0.032 Uiso 1 1 calc R
H18 H 1.0778 0.5264 0.4699 0.032 Uiso 1 1 calc R
C26 C 1.0810(3) 0.3889(2) 0.4404(2) 0.0387(8) Uani 1 1 d .
H36 H 1.0067 0.3876 0.4022 0.058 Uiso 1 1 calc R
H37 H 1.0783 0.3680 0.4954 0.058 Uiso 1 1 calc R
H38 H 1.1291 0.3480 0.4195 0.058 Uiso 1 1 calc R
C27 C 0.7368(2) 0.5885(2) 0.02525(17) 0.0236(6) Uani 1 1 d .
H19 H 0.7717 0.6424 0.0586 0.028 Uiso 1 1 calc R
H20 H 0.7828 0.5718 -0.0118 0.028 Uiso 1 1 calc R
C28 C 0.6232(2) 0.6179(2) -0.0287(2) 0.0344(7) Uani 1 1 d .
H39 H 0.5809 0.5630 -0.0527 0.052 Uiso 1 1 calc R
H40 H 0.6318 0.6582 -0.0735 0.052 Uiso 1 1 calc R
H41 H 0.5841 0.6512 0.0054 0.052 Uiso 1 1 calc R
C29 C 0.7105(2) 0.4165(2) 0.03402(16) 0.0233(6) Uani 1 1 d .
H21 H 0.6389 0.4251 -0.0082 0.028 Uiso 1 1 calc R
H22 H 0.7669 0.4070 0.0040 0.028 Uiso 1 1 calc R
C30 C 0.7037(3) 0.3290(2) 0.0830(2) 0.0332(7) Uani 1 1 d .
H42 H 0.7643 0.3283 0.1342 0.050 Uiso 1 1 calc R
H43 H 0.7092 0.2748 0.0493 0.050 Uiso 1 1 calc R
H44 H 0.6333 0.3276 0.0969 0.050 Uiso 1 1 calc R
C31 C 0.7159(2) 0.6699(2) 0.2231(2) 0.0302(7) Uani 1 1 d .
H23 H 0.7662 0.6918 0.2760 0.036 Uiso 1 1 calc R
H24 H 0.7449 0.6927 0.1775 0.036 Uiso 1 1 calc R
C32 C 0.6025(3) 0.7132(2) 0.2133(2) 0.0399(8) Uani 1 1 d .
H45 H 0.5520 0.6934 0.1605 0.060 Uiso 1 1 calc R
H46 H 0.6090 0.7807 0.2139 0.060 Uiso 1 1 calc R
H47 H 0.5738 0.6934 0.2592 0.060 Uiso 1 1 calc R
C33 C 0.6775(2) 0.5256(2) 0.29488(18) 0.0308(7) Uani 1 1 d .
H25 H 0.7155 0.5596 0.3460 0.037 Uiso 1 1 calc R
H26 H 0.5979 0.5393 0.2829 0.037 Uiso 1 1 calc R
C34 C 0.6943(3) 0.4228(3) 0.3119(2) 0.0464(9) Uani 1 1 d .
H48 H 0.6551 0.3880 0.2624 0.070 Uiso 1 1 calc R
H49 H 0.6657 0.4057 0.3586 0.070 Uiso 1 1 calc R
H50 H 0.7730 0.4083 0.3256 0.070 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'
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_3
C1 Si1 C7 118.14(12) .
C1 Si1 Si1 119.07(10) 3_765
C7 Si1 Si1 122.71(10) 3_765
C2 C1 C6 117.8(3) .
C2 C1 Si1 121.0(2) .
C6 C1 Si1 121.2(2) .
C3 C2 C1 121.3(3) .
C3 C2 H1 119.4 .
C1 C2 H1 119.4 .
C4 C3 C2 120.5(3) .
C4 C3 H2 119.7 .
C2 C3 H2 119.7 .
C3 C4 C5 120.0(3) .
C3 C4 H3 120.0 .
C5 C4 H3 120.0 .
C4 C5 C6 119.1(3) .
C4 C5 H4 120.4 .
C6 C5 H4 120.4 .
C5 C6 C1 121.3(3) .
C5 C6 H5 119.3 .
C1 C6 H5 119.3 .
C12 C7 C8 117.3(2) .
C12 C7 Si1 121.81(18) .
C8 C7 Si1 120.70(19) .
C9 C8 C7 120.2(2) .
C9 C8 C13 109.4(2) .
C7 C8 C13 130.3(2) .
C10 C9 C8 121.4(2) .
C10 C9 C15 125.0(2) .
C8 C9 C15 113.4(2) .
C9 C10 C11 119.2(2) .
C9 C10 H6 120.4 .
C11 C10 H6 120.4 .
C10 C11 C12 121.3(2) .
C10 C11 C18 124.7(2) .
C12 C11 C18 113.9(2) .
C11 C12 C7 120.5(2) .
C11 C12 C16 108.8(2) .
C7 C12 C16 130.6(2) .
C21 C13 C8 113.4(2) .
C21 C13 C14 111.1(2) .
C8 C13 C14 102.6(2) .
C21 C13 C19 109.3(2) .
C8 C13 C19 109.9(2) .
C14 C13 C19 110.5(2) .
C15 C14 C13 108.9(2) .
C15 C14 H7 109.9 .
C13 C14 H7 109.9 .
C15 C14 H8 109.9 .
C13 C14 H8 109.9 .
H7 C14 H8 108.3 .
C9 C15 C14 102.0(2) .
C9 C15 C23 108.0(2) .
C14 C15 C23 112.6(2) .
C9 C15 C25 113.1(2) .
C14 C15 C25 112.2(2) .
C23 C15 C25 108.9(2) .
C29 C16 C27 109.1(2) .
C29 C16 C12 113.5(2) .
C27 C16 C12 109.6(2) .
C29 C16 C17 110.5(2) .
C27 C16 C17 111.7(2) .
C12 C16 C17 102.3(2) .
C18 C17 C16 108.8(2) .
C18 C17 H9 109.9 .
C16 C17 H9 109.9 .
C18 C17 H10 109.9 .
C16 C17 H10 109.9 .
H9 C17 H10 108.3 .
C11 C18 C17 101.4(2) .
C11 C18 C33 113.2(2) .
C17 C18 C33 112.4(2) .
C11 C18 C31 107.4(2) .
C17 C18 C31 112.7(2) .
C33 C18 C31 109.5(2) .
C20 C19 C13 116.5(2) .
C20 C19 H11 108.2 .
C13 C19 H11 108.2 .
C20 C19 H12 108.2 .
C13 C19 H12 108.2 .
H11 C19 H12 107.3 .
C19 C20 H27 109.5 .
C19 C20 H28 109.5 .
H27 C20 H28 109.5 .
C19 C20 H29 109.5 .
H27 C20 H29 109.5 .
H28 C20 H29 109.5 .
C22 C21 C13 115.6(2) .
C22 C21 H13 108.4 .
C13 C21 H13 108.4 .
C22 C21 H14 108.4 .
C13 C21 H14 108.4 .
H13 C21 H14 107.4 .
C21 C22 H30 109.5 .
C21 C22 H31 109.5 .
H30 C22 H31 109.5 .
C21 C22 H32 109.5 .
H30 C22 H32 109.5 .
H31 C22 H32 109.5 .
C24 C23 C15 115.8(2) .
C24 C23 H15 108.3 .
C15 C23 H15 108.3 .
C24 C23 H16 108.3 .
C15 C23 H16 108.3 .
H15 C23 H16 107.4 .
C23 C24 H33 109.5 .
C23 C24 H34 109.5 .
H33 C24 H34 109.5 .
C23 C24 H35 109.5 .
H33 C24 H35 109.5 .
H34 C24 H35 109.5 .
C26 C25 C15 115.5(2) .
C26 C25 H17 108.4 .
C15 C25 H17 108.4 .
C26 C25 H18 108.4 .
C15 C25 H18 108.4 .
H17 C25 H18 107.5 .
C25 C26 H36 109.5 .
C25 C26 H37 109.5 .
H36 C26 H37 109.5 .
C25 C26 H38 109.5 .
H36 C26 H38 109.5 .
H37 C26 H38 109.5 .
C28 C27 C16 115.9(2) .
C28 C27 H19 108.3 .
C16 C27 H19 108.3 .
C28 C27 H20 108.3 .
C16 C27 H20 108.3 .
H19 C27 H20 107.4 .
C27 C28 H39 109.5 .
C27 C28 H40 109.5 .
H39 C28 H40 109.5 .
C27 C28 H41 109.5 .
H39 C28 H41 109.5 .
H40 C28 H41 109.5 .
C30 C29 C16 116.2(2) .
C30 C29 H21 108.2 .
C16 C29 H21 108.2 .
C30 C29 H22 108.2 .
C16 C29 H22 108.2 .
H21 C29 H22 107.4 .
C29 C30 H42 109.5 .
C29 C30 H43 109.5 .
H42 C30 H43 109.5 .
C29 C30 H44 109.5 .
H42 C30 H44 109.5 .
H43 C30 H44 109.5 .
C32 C31 C18 115.7(2) .
C32 C31 H23 108.4 .
C18 C31 H23 108.4 .
C32 C31 H24 108.4 .
C18 C31 H24 108.4 .
H23 C31 H24 107.4 .
C31 C32 H45 109.5 .
C31 C32 H46 109.5 .
H45 C32 H46 109.5 .
C31 C32 H47 109.5 .
H45 C32 H47 109.5 .
H46 C32 H47 109.5 .
C34 C33 C18 115.5(2) .
C34 C33 H25 108.4 .
C18 C33 H25 108.4 .
C34 C33 H26 108.4 .
C18 C33 H26 108.4 .
H25 C33 H26 107.5 .
C33 C34 H48 109.5 .
C33 C34 H49 109.5 .
H48 C34 H49 109.5 .
C33 C34 H50 109.5 .
H48 C34 H50 109.5 .
H49 C34 H50 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C1 1.873(3) .
Si1 C7 1.910(3) .
Si1 Si1 2.1593(16) 3_765
C1 C2 1.388(4) .
C1 C6 1.401(4) .
C2 C3 1.383(4) .
C2 H1 0.9500 .
C3 C4 1.375(5) .
C3 H2 0.9500 .
C4 C5 1.392(5) .
C4 H3 0.9500 .
C5 C6 1.394(4) .
C5 H4 0.9500 .
C6 H5 0.9500 .
C7 C12 1.424(4) .
C7 C8 1.426(3) .
C8 C9 1.406(4) .
C8 C13 1.551(3) .
C9 C10 1.383(4) .
C9 C15 1.515(3) .
C10 C11 1.384(4) .
C10 H6 0.9500 .
C11 C12 1.403(4) .
C11 C18 1.520(4) .
C12 C16 1.555(3) .
C13 C21 1.546(4) .
C13 C14 1.555(4) .
C13 C19 1.560(4) .
C14 C15 1.546(4) .
C14 H7 0.9900 .
C14 H8 0.9900 .
C15 C23 1.549(4) .
C15 C25 1.554(4) .
C16 C29 1.545(4) .
C16 C27 1.551(4) .
C16 C17 1.562(4) .
C17 C18 1.538(4) .
C17 H9 0.9900 .
C17 H10 0.9900 .
C18 C33 1.543(4) .
C18 C31 1.547(4) .
C19 C20 1.524(4) .
C19 H11 0.9900 .
C19 H12 0.9900 .
C20 H27 0.9800 .
C20 H28 0.9800 .
C20 H29 0.9800 .
C21 C22 1.526(4) .
C21 H13 0.9900 .
C21 H14 0.9900 .
C22 H30 0.9800 .
C22 H31 0.9800 .
C22 H32 0.9800 .
C23 C24 1.526(4) .
C23 H15 0.9900 .
C23 H16 0.9900 .
C24 H33 0.9800 .
C24 H34 0.9800 .
C24 H35 0.9800 .
C25 C26 1.515(5) .
C25 H17 0.9900 .
C25 H18 0.9900 .
C26 H36 0.9800 .
C26 H37 0.9800 .
C26 H38 0.9800 .
C27 C28 1.532(4) .
C27 H19 0.9900 .
C27 H20 0.9900 .
C28 H39 0.9800 .
C28 H40 0.9800 .
C28 H41 0.9800 .
C29 C30 1.525(4) .
C29 H21 0.9900 .
C29 H22 0.9900 .
C30 H42 0.9800 .
C30 H43 0.9800 .
C30 H44 0.9800 .
C31 C32 1.532(4) .
C31 H23 0.9900 .
C31 H24 0.9900 .
C32 H45 0.9800 .
C32 H46 0.9800 .
C32 H47 0.9800 .
C33 C34 1.520(5) .
C33 H25 0.9900 .
C33 H26 0.9900 .
C34 H48 0.9800 .
C34 H49 0.9800 .
C34 H50 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
C7 Si1 C1 C2 -2.6(3) .
Si1 Si1 C1 C2 -179.45(19) 3_765
C7 Si1 C1 C6 177.0(2) .
Si1 Si1 C1 C6 0.1(3) 3_765
C6 C1 C2 C3 -0.4(4) .
Si1 C1 C2 C3 179.1(2) .
C1 C2 C3 C4 -0.1(5) .
C2 C3 C4 C5 -0.1(5) .
C3 C4 C5 C6 0.7(4) .
C4 C5 C6 C1 -1.2(4) .
C2 C1 C6 C5 1.1(4) .
Si1 C1 C6 C5 -178.5(2) .
C1 Si1 C7 C12 -89.6(2) .
Si1 Si1 C7 C12 87.2(2) 3_765
C1 Si1 C7 C8 95.1(2) .
Si1 Si1 C7 C8 -88.1(2) 3_765
C12 C7 C8 C9 -0.8(4) .
Si1 C7 C8 C9 174.65(19) .
C12 C7 C8 C13 -177.5(2) .
Si1 C7 C8 C13 -2.0(4) .
C7 C8 C9 C10 -0.5(4) .
C13 C8 C9 C10 176.8(2) .
C7 C8 C9 C15 -175.8(2) .
C13 C8 C9 C15 1.5(3) .
C8 C9 C10 C11 1.4(4) .
C15 C9 C10 C11 176.1(2) .
C9 C10 C11 C12 -0.9(4) .
C9 C10 C11 C18 -176.2(2) .
C10 C11 C12 C7 -0.4(4) .
C18 C11 C12 C7 175.4(2) .
C10 C11 C12 C16 -177.0(2) .
C18 C11 C12 C16 -1.2(3) .
C8 C7 C12 C11 1.3(4) .
Si1 C7 C12 C11 -174.16(19) .
C8 C7 C12 C16 177.0(2) .
Si1 C7 C12 C16 1.5(4) .
C9 C8 C13 C21 130.4(2) .
C7 C8 C13 C21 -52.7(4) .
C9 C8 C13 C14 10.5(3) .
C7 C8 C13 C14 -172.5(3) .
C9 C8 C13 C19 -107.0(2) .
C7 C8 C13 C19 69.9(3) .
C21 C13 C14 C15 -140.0(2) .
C8 C13 C14 C15 -18.5(3) .
C19 C13 C14 C15 98.5(3) .
C10 C9 C15 C14 172.0(3) .
C8 C9 C15 C14 -12.8(3) .
C10 C9 C15 C23 -69.1(3) .
C8 C9 C15 C23 106.0(3) .
C10 C9 C15 C25 51.4(4) .
C8 C9 C15 C25 -133.5(2) .
C13 C14 C15 C9 19.2(3) .
C13 C14 C15 C23 -96.3(3) .
C13 C14 C15 C25 140.5(2) .
C11 C12 C16 C29 -131.4(2) .
C7 C12 C16 C29 52.5(4) .
C11 C12 C16 C27 106.3(2) .
C7 C12 C16 C27 -69.8(3) .
C11 C12 C16 C17 -12.3(3) .
C7 C12 C16 C17 171.6(3) .
C29 C16 C17 C18 142.6(2) .
C27 C16 C17 C18 -95.7(3) .
C12 C16 C17 C18 21.4(3) .
C10 C11 C18 C17 -170.1(3) .
C12 C11 C18 C17 14.3(3) .
C10 C11 C18 C33 -49.4(4) .
C12 C11 C18 C33 135.0(3) .
C10 C11 C18 C31 71.6(3) .
C12 C11 C18 C31 -104.0(3) .
C16 C17 C18 C11 -21.8(3) .
C16 C17 C18 C33 -143.0(2) .
C16 C17 C18 C31 92.8(3) .
C21 C13 C19 C20 -61.7(3) .
C8 C13 C19 C20 173.4(2) .
C14 C13 C19 C20 60.9(3) .
C8 C13 C21 C22 -58.9(3) .
C14 C13 C21 C22 56.0(3) .
C19 C13 C21 C22 178.2(2) .
C9 C15 C23 C24 -179.6(2) .
C14 C15 C23 C24 -67.8(3) .
C25 C15 C23 C24 57.3(3) .
C9 C15 C25 C26 48.7(3) .
C14 C15 C25 C26 -66.0(3) .
C23 C15 C25 C26 168.7(2) .
C29 C16 C27 C28 71.6(3) .
C12 C16 C27 C28 -163.6(2) .
C17 C16 C27 C28 -50.9(3) .
C27 C16 C29 C30 -177.7(2) .
C12 C16 C29 C30 59.8(3) .
C17 C16 C29 C30 -54.5(3) .
C11 C18 C31 C32 176.7(3) .
C17 C18 C31 C32 66.0(3) .
C33 C18 C31 C32 -59.9(3) .
C11 C18 C33 C34 -49.9(3) .
C17 C18 C33 C34 64.2(3) .
C31 C18 C33 C34 -169.8(3) .
