#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:29:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178872 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/01/4110189.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_4110189
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_sum            'C130 H194 Si4'
_chemical_formula_weight         1869.21
_chemical_name_systematic
; 
1,4-Bis{1,2-Bis((E)-1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)
-2-phenyldisilenyl}benzene 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.6710(10)
_cell_angle_beta                 99.850(2)
_cell_angle_gamma                95.161(2)
_cell_formula_units_Z            1
_cell_length_a                   11.6011(6)
_cell_length_b                   16.1550(8)
_cell_length_c                   17.1708(9)
_cell_measurement_temperature    100(2)
_cell_volume                     2834.0(3)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku & RAC 2007)'
_computing_molecular_graphics    'ORTEP III'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2002 (Burla, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  SATURN
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_av_sigmaI/netI    0.1137
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17935
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_T_max  0.9980
_exptl_absorpt_correction_T_min  0.9801
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1030
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.914
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         9725
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1669
_refine_ls_R_factor_gt           0.1055
_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)+(0.1393P)²+5.9175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2568
_refine_ls_wR_factor_ref         0.3108
_reflns_number_gt                5614
_reflns_number_total             9725
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0764207si20070827_032916.cif
_cod_data_source_block           bisdisilene
_cod_database_code               4110189
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
Si1 Si 0.60914(13) 0.01389(10) 0.69480(10) 0.0377(4) Uani 1 1 d . . .
Si2 Si 0.70257(13) 0.14393(10) 0.80176(10) 0.0364(4) Uani 1 1 d . . .
C1 C 0.5459(5) 0.0069(4) 0.5847(4) 0.0407(13) Uani 1 1 d . . .
C2 C 0.4883(5) -0.0772(4) 0.5153(4) 0.0409(13) Uani 1 1 d . . .
H2 H 0.4795 -0.1309 0.5249 0.049 Uiso 1 1 calc R . .
C3 C 0.5564(5) 0.0842(4) 0.5671(4) 0.0420(14) Uani 1 1 d . . .
H3 H 0.5952 0.1428 0.6133 0.050 Uiso 1 1 calc R . .
C4 C 0.5814(5) -0.1006(4) 0.7025(4) 0.0393(13) Uani 1 1 d . . .
C5 C 0.4768(4) -0.1289(3) 0.7242(4) 0.0363(12) Uani 1 1 d . . .
C6 C 0.3781(4) -0.0754(3) 0.7548(4) 0.0365(12) Uani 1 1 d . . .
C7 C 0.2901(5) -0.1450(4) 0.7688(4) 0.0411(13) Uani 1 1 d . . .
H7A H 0.2824 -0.1178 0.8307 0.049 Uiso 1 1 calc R . .
H7B H 0.2105 -0.1575 0.7301 0.049 Uiso 1 1 calc R . .
C8 C 0.3387(5) -0.2367(4) 0.7467(4) 0.0419(13) Uani 1 1 d . . .
C9 C 0.4534(5) -0.2169(3) 0.7213(4) 0.0372(12) Uani 1 1 d . . .
C10 C 0.5302(5) -0.2783(4) 0.6965(4) 0.0416(13) Uani 1 1 d . . .
H10 H 0.5123 -0.3384 0.6933 0.050 Uiso 1 1 calc R . .
C11 C 0.6337(5) -0.2521(4) 0.6762(4) 0.0426(14) Uani 1 1 d . A .
C12 C 0.7262(6) -0.3120(4) 0.6501(5) 0.0556(17) Uani 1 1 d D . .
C13 C 0.8278(6) -0.2452(4) 0.6465(4) 0.0517(16) Uani 1 1 d . A .
H13A H 0.8479 -0.2729 0.5882 0.062 Uiso 1 1 calc R . .
H13B H 0.8998 -0.2345 0.6922 0.062 Uiso 1 1 calc R . .
C14 C 0.7857(5) -0.1514(4) 0.6624(4) 0.0408(13) Uani 1 1 d . . .
C15 C 0.6622(5) -0.1646(4) 0.6806(4) 0.0409(13) Uani 1 1 d . A .
C16 C 0.3130(5) -0.0483(3) 0.6845(4) 0.0377(12) Uani 1 1 d . . .
H16A H 0.2513 -0.0132 0.7082 0.045 Uiso 1 1 calc R . .
H16B H 0.3712 -0.0060 0.6758 0.045 Uiso 1 1 calc R . .
C17 C 0.2544(5) -0.1274(4) 0.5953(4) 0.0455(14) Uani 1 1 d . . .
H17A H 0.3097 -0.1701 0.5761 0.055 Uiso 1 1 calc R . .
H17B H 0.2329 -0.1028 0.5525 0.055 Uiso 1 1 calc R . .
H17C H 0.1825 -0.1604 0.5997 0.055 Uiso 1 1 calc R . .
C18 C 0.4250(5) 0.0119(4) 0.8427(4) 0.0409(13) Uani 1 1 d . . .
H18A H 0.4664 -0.0068 0.8865 0.049 Uiso 1 1 calc R . .
H18B H 0.4846 0.0534 0.8343 0.049 Uiso 1 1 calc R . .
C19 C 0.3310(5) 0.0668(4) 0.8809(4) 0.0468(15) Uani 1 1 d . . .
H19A H 0.2996 0.0957 0.8436 0.056 Uiso 1 1 calc R . .
H19B H 0.3672 0.1150 0.9406 0.056 Uiso 1 1 calc R . .
H19C H 0.2662 0.0250 0.8829 0.056 Uiso 1 1 calc R . .
C20 C 0.2537(5) -0.3194(4) 0.6688(4) 0.0501(16) Uani 1 1 d . . .
H20A H 0.2420 -0.3060 0.6170 0.060 Uiso 1 1 calc R . .
H20B H 0.2925 -0.3744 0.6541 0.060 Uiso 1 1 calc R . .
C21 C 0.1321(6) -0.3437(5) 0.6837(5) 0.0611(19) Uani 1 1 d . . .
H21A H 0.1420 -0.3576 0.7345 0.073 Uiso 1 1 calc R . .
H21B H 0.0856 -0.3979 0.6312 0.073 Uiso 1 1 calc R . .
H21C H 0.0904 -0.2911 0.6948 0.073 Uiso 1 1 calc R . .
C22 C 0.3652(5) -0.2585(4) 0.8261(4) 0.0489(15) Uani 1 1 d . . .
H22A H 0.2895 -0.2675 0.8432 0.059 Uiso 1 1 calc R . .
H22B H 0.3943 -0.3181 0.8071 0.059 Uiso 1 1 calc R . .
C23 C 0.4547(5) -0.1868(5) 0.9070(4) 0.0556(17) Uani 1 1 d . . .
H23A H 0.5327 -0.1817 0.8931 0.067 Uiso 1 1 calc R . .
H23B H 0.4604 -0.2057 0.9547 0.067 Uiso 1 1 calc R . .
H23C H 0.4289 -0.1267 0.9257 0.067 Uiso 1 1 calc R . .
C24B C 0.691(2) -0.3944(13) 0.5574(10) 0.102(11) Uiso 0.50(3) 1 d PD A 2
H24A H 0.6144 -0.4325 0.5501 0.123 Uiso 0.50(3) 1 calc PR A 1
H24B H 0.6812 -0.3715 0.5118 0.123 Uiso 0.50(3) 1 calc PR A 1
C25B C 0.7891(19) -0.4518(12) 0.5479(13) 0.082(7) Uiso 0.50(3) 1 d PD A 2
H25A H 0.7725 -0.5011 0.4876 0.098 Uiso 0.50(3) 1 calc PR A 1
H25B H 0.7925 -0.4792 0.5893 0.098 Uiso 0.50(3) 1 calc PR A 1
H25C H 0.8655 -0.4120 0.5607 0.098 Uiso 0.50(3) 1 calc PR A 1
C24A C 0.6603(16) -0.3952(9) 0.5607(8) 0.050(5) Uiso 0.50(3) 1 d PD A 1
H24C H 0.5905 -0.4250 0.5717 0.059 Uiso 0.50(3) 1 calc PR A 2
H24D H 0.6291 -0.3691 0.5202 0.059 Uiso 0.50(3) 1 calc PR A 2
C25A C 0.7247(15) -0.4717(9) 0.5111(10) 0.054(5) Uiso 0.50(3) 1 d PD A 1
H25D H 0.6699 -0.5176 0.4567 0.064 Uiso 0.50(3) 1 calc PR A 2
H25E H 0.7530 -0.5018 0.5481 0.064 Uiso 0.50(3) 1 calc PR A 2
H25F H 0.7925 -0.4451 0.4967 0.064 Uiso 0.50(3) 1 calc PR A 2
C26 C 0.7669(7) -0.3492(5) 0.7168(6) 0.072(2) Uani 1 1 d . A .
H26A H 0.7030 -0.3990 0.7087 0.086 Uiso 1 1 calc R . .
H26B H 0.8375 -0.3776 0.7031 0.086 Uiso 1 1 calc R . .
C27 C 0.7978(6) -0.2797(6) 0.8120(6) 0.080(3) Uani 1 1 d . . .
H27A H 0.8607 -0.2296 0.8213 0.096 Uiso 1 1 calc R A .
H27B H 0.8257 -0.3100 0.8488 0.096 Uiso 1 1 calc R . .
H27C H 0.7271 -0.2542 0.8280 0.096 Uiso 1 1 calc R . .
C28 C 0.7858(6) -0.1300(4) 0.5828(4) 0.0494(15) Uani 1 1 d . A .
H28A H 0.7565 -0.0711 0.5953 0.059 Uiso 1 1 calc R . .
H28B H 0.8690 -0.1202 0.5775 0.059 Uiso 1 1 calc R . .
C29 C 0.7112(7) -0.2040(4) 0.4941(4) 0.0638(19) Uani 1 1 d . . .
H29A H 0.7449 -0.2607 0.4773 0.077 Uiso 1 1 calc R A .
H29B H 0.7115 -0.1816 0.4492 0.077 Uiso 1 1 calc R . .
H29C H 0.6293 -0.2170 0.4991 0.077 Uiso 1 1 calc R . .
C30 C 0.8699(5) -0.0727(4) 0.7457(4) 0.0417(13) Uani 1 1 d . A .
H30A H 0.8378 -0.0149 0.7584 0.050 Uiso 1 1 calc R . .
H30B H 0.8681 -0.0875 0.7960 0.050 Uiso 1 1 calc R . .
C31 C 0.9991(5) -0.0543(4) 0.7411(5) 0.0515(16) Uani 1 1 d . . .
H31A H 1.0329 -0.1107 0.7293 0.062 Uiso 1 1 calc R A .
H31B H 1.0446 -0.0044 0.7974 0.062 Uiso 1 1 calc R . .
H31C H 1.0030 -0.0361 0.6938 0.062 Uiso 1 1 calc R . .
C32 C 0.7696(5) 0.1435(4) 0.9090(4) 0.0417(14) Uani 1 1 d . . .
C33 C 0.7531(5) 0.0612(4) 0.9167(4) 0.0405(13) Uani 1 1 d . . .
H33 H 0.7023 0.0080 0.8699 0.049 Uiso 1 1 calc R . .
C34 C 0.8106(5) 0.0557(4) 0.9926(4) 0.0509(16) Uani 1 1 d . . .
H34 H 0.8003 -0.0012 0.9970 0.061 Uiso 1 1 calc R . .
C35 C 0.8828(5) 0.1344(4) 1.0616(4) 0.0489(15) Uani 1 1 d . . .
H35 H 0.9239 0.1322 1.1134 0.059 Uiso 1 1 calc R . .
C36 C 0.8933(5) 0.2156(4) 1.0531(4) 0.0505(15) Uani 1 1 d . . .
H36 H 0.9401 0.2703 1.1007 0.061 Uiso 1 1 calc R . .
C37 C 0.8385(5) 0.2197(4) 0.9786(4) 0.0412(13) Uani 1 1 d . . .
H37 H 0.8485 0.2769 0.9749 0.049 Uiso 1 1 calc R . .
C38 C 0.7255(4) 0.2555(3) 0.7895(4) 0.0349(12) Uani 1 1 d . . .
C39 C 0.6399(4) 0.3147(3) 0.8037(3) 0.0330(12) Uani 1 1 d . . .
C40 C 0.5234(4) 0.3053(3) 0.8341(4) 0.0325(12) Uani 1 1 d . . .
C41 C 0.4857(4) 0.4011(3) 0.8524(4) 0.0357(12) Uani 1 1 d . . .
H41A H 0.3981 0.3930 0.8344 0.043 Uiso 1 1 calc R . .
H41B H 0.5112 0.4435 0.9161 0.043 Uiso 1 1 calc R . .
C42 C 0.5448(4) 0.4424(3) 0.7996(3) 0.0330(12) Uani 1 1 d . . .
C43 C 0.6499(4) 0.3925(3) 0.7868(3) 0.0306(11) Uani 1 1 d . . .
C44 C 0.7458(4) 0.4146(3) 0.7565(3) 0.0328(11) Uani 1 1 d . . .
H44 H 0.7521 0.4670 0.7445 0.039 Uiso 1 1 calc R . .
C45 C 0.8323(4) 0.3596(3) 0.7438(3) 0.0310(11) Uani 1 1 d . . .
C46 C 0.9402(4) 0.3737(3) 0.7090(4) 0.0319(11) Uani 1 1 d . . .
C47 C 1.0120(4) 0.3027(3) 0.7215(4) 0.0333(12) Uani 1 1 d . . .
H47A H 1.0779 0.3342 0.7746 0.040 Uiso 1 1 calc R . .
H47B H 1.0463 0.2719 0.6699 0.040 Uiso 1 1 calc R . .
C48 C 0.9262(4) 0.2300(3) 0.7318(3) 0.0320(12) Uani 1 1 d . . .
C49 C 0.8234(4) 0.2808(3) 0.7588(3) 0.0330(12) Uani 1 1 d . . .
C50 C 0.4308(4) 0.2248(3) 0.7585(4) 0.0369(13) Uani 1 1 d . . .
H50A H 0.4381 0.2262 0.7025 0.044 Uiso 1 1 calc R . .
H50B H 0.4523 0.1659 0.7559 0.044 Uiso 1 1 calc R . .
C51 C 0.3007(5) 0.2230(4) 0.7633(4) 0.0436(14) Uani 1 1 d . . .
H51A H 0.2514 0.1685 0.7125 0.052 Uiso 1 1 calc R . .
H51B H 0.2760 0.2792 0.7627 0.052 Uiso 1 1 calc R . .
H51C H 0.2909 0.2202 0.8177 0.052 Uiso 1 1 calc R . .
C52 C 0.5410(5) 0.2910(4) 0.9176(4) 0.0374(12) Uani 1 1 d . . .
H52A H 0.4636 0.2890 0.9343 0.045 Uiso 1 1 calc R . .
H52B H 0.5643 0.2298 0.9036 0.045 Uiso 1 1 calc R . .
C53 C 0.6333(5) 0.3639(4) 0.9972(4) 0.0436(14) Uani 1 1 d . . .
H53A H 0.6377 0.3483 1.0468 0.052 Uiso 1 1 calc R . .
H53B H 0.6103 0.4248 1.0133 0.052 Uiso 1 1 calc R . .
H53C H 0.7112 0.3655 0.9825 0.052 Uiso 1 1 calc R . .
C54 C 0.4663(4) 0.4175(4) 0.7092(4) 0.0373(12) Uani 1 1 d . . .
H54A H 0.4491 0.3492 0.6755 0.045 Uiso 1 1 calc R . .
H54B H 0.5125 0.4421 0.6776 0.045 Uiso 1 1 calc R . .
C55 C 0.3472(5) 0.4527(4) 0.7080(4) 0.0467(15) Uani 1 1 d . . .
H55A H 0.3042 0.4322 0.6469 0.056 Uiso 1 1 calc R . .
H55B H 0.3625 0.5205 0.7388 0.056 Uiso 1 1 calc R . .
H55C H 0.2992 0.4277 0.7377 0.056 Uiso 1 1 calc R . .
C56 C 0.5837(5) 0.5488(3) 0.8507(4) 0.0386(13) Uani 1 1 d . . .
H56A H 0.6139 0.5716 0.8114 0.046 Uiso 1 1 calc R . .
H56B H 0.5125 0.5762 0.8645 0.046 Uiso 1 1 calc R . .
C57 C 0.6779(5) 0.5843(4) 0.9357(4) 0.0455(14) Uani 1 1 d . . .
H57A H 0.6954 0.6522 0.9628 0.055 Uiso 1 1 calc R . .
H57B H 0.7504 0.5600 0.9231 0.055 Uiso 1 1 calc R . .
H57C H 0.6487 0.5638 0.9762 0.055 Uiso 1 1 calc R . .
C58 C 0.8982(4) 0.3516(4) 0.6113(4) 0.0388(13) Uani 1 1 d . . .
H58A H 0.8531 0.2874 0.5796 0.047 Uiso 1 1 calc R . .
H58B H 0.8420 0.3931 0.6071 0.047 Uiso 1 1 calc R . .
C59 C 0.9942(5) 0.3608(4) 0.5634(4) 0.0485(15) Uani 1 1 d . . .
H59A H 0.9571 0.3459 0.5023 0.058 Uiso 1 1 calc R . .
H59B H 1.0486 0.3180 0.5642 0.058 Uiso 1 1 calc R . .
H59C H 1.0387 0.4244 0.5930 0.058 Uiso 1 1 calc R . .
C60 C 1.0110(4) 0.4741(4) 0.7608(4) 0.0391(13) Uani 1 1 d . . .
H60A H 1.0862 0.4769 0.7413 0.047 Uiso 1 1 calc R . .
H60B H 0.9643 0.5155 0.7450 0.047 Uiso 1 1 calc R . .
C61 C 1.0408(5) 0.5112(4) 0.8598(4) 0.0501(15) Uani 1 1 d . . .
H61A H 1.0857 0.5746 0.8865 0.060 Uiso 1 1 calc R . .
H61B H 1.0889 0.4719 0.8767 0.060 Uiso 1 1 calc R . .
H61C H 0.9671 0.5112 0.8805 0.060 Uiso 1 1 calc R . .
C62 C 0.8776(4) 0.1439(4) 0.6437(4) 0.0364(12) Uani 1 1 d . . .
H62A H 0.8277 0.0987 0.6547 0.044 Uiso 1 1 calc R . .
H62B H 0.8245 0.1622 0.6044 0.044 Uiso 1 1 calc R . .
C63 C 0.9668(5) 0.0936(4) 0.5935(4) 0.0427(14) Uani 1 1 d . . .
H63A H 0.9237 0.0401 0.5389 0.051 Uiso 1 1 calc R . .
H63B H 1.0187 0.0726 0.6301 0.051 Uiso 1 1 calc R . .
H63C H 1.0150 0.1360 0.5792 0.051 Uiso 1 1 calc R . .
C64 C 0.9909(4) 0.2012(4) 0.8011(4) 0.0391(13) Uani 1 1 d . . .
H64A H 0.9324 0.1580 0.8085 0.047 Uiso 1 1 calc R . .
H64B H 1.0527 0.1665 0.7770 0.047 Uiso 1 1 calc R . .
C65 C 1.0496(5) 0.2790(4) 0.8918(4) 0.0474(14) Uani 1 1 d . . .
H65A H 1.0875 0.2527 0.9296 0.057 Uiso 1 1 calc R . .
H65B H 0.9893 0.3127 0.9180 0.057 Uiso 1 1 calc R . .
H65C H 1.1098 0.3215 0.8862 0.057 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_1
C1 Si1 C4 114.5(3) .
C1 Si1 Si2 120.4(2) .
C4 Si1 Si2 125.12(19) .
C32 Si2 C38 119.6(3) .
C32 Si2 Si1 117.51(19) .
C38 Si2 Si1 122.79(19) .
C2 C1 C3 117.2(5) .
C2 C1 Si1 120.4(4) .
C3 C1 Si1 122.4(5) .
C3 C2 C1 121.3(5) 2_656
C2 C3 C1 121.5(5) 2_656
C5 C4 C15 117.1(5) .
C5 C4 Si1 121.9(4) .
C15 C4 Si1 120.9(4) .
C9 C5 C4 120.6(5) .
C9 C5 C6 109.8(4) .
C4 C5 C6 129.5(5) .
C5 C6 C18 112.1(4) .
C5 C6 C16 111.9(4) .
C18 C6 C16 109.6(4) .
C5 C6 C7 104.1(4) .
C18 C6 C7 108.9(4) .
C16 C6 C7 110.1(4) .
C8 C7 C6 109.2(4) .
C9 C8 C22 110.1(5) .
C9 C8 C20 110.1(5) .
C22 C8 C20 109.4(4) .
C9 C8 C7 102.6(4) .
C22 C8 C7 112.5(5) .
C20 C8 C7 112.0(5) .
C10 C9 C5 121.0(5) .
C10 C9 C8 124.6(5) .
C5 C9 C8 114.4(5) .
C9 C10 C11 119.6(5) .
C10 C11 C15 121.3(5) .
C10 C11 C12 124.9(5) .
C15 C11 C12 113.8(5) .
C11 C12 C26 111.6(5) .
C11 C12 C24B 116.0(10) .
C26 C12 C24B 108.2(11) .
C11 C12 C13 103.0(4) .
C26 C12 C13 112.4(6) .
C24B C12 C13 105.5(12) .
C11 C12 C24A 104.3(7) .
C26 C12 C24A 108.6(8) .
C24B C12 C24A 13.6(11) .
C13 C12 C24A 116.5(9) .
C12 C13 C14 108.8(5) .
C15 C14 C28 113.9(5) .
C15 C14 C30 109.3(4) .
C28 C14 C30 109.4(5) .
C15 C14 C13 103.7(4) .
C28 C14 C13 111.3(4) .
C30 C14 C13 109.0(5) .
C11 C15 C4 120.2(5) .
C11 C15 C14 110.3(5) .
C4 C15 C14 129.4(5) .
C17 C16 C6 116.3(4) .
C19 C18 C6 115.6(4) .
C21 C20 C8 115.7(6) .
C23 C22 C8 116.5(5) .
C25B C24B C12 107.9(13) .
C25A C24A C12 120.9(12) .
C27 C26 C12 116.0(6) .
C29 C28 C14 115.8(5) .
C31 C30 C14 116.3(5) .
C37 C32 C33 118.4(5) .
C37 C32 Si2 122.5(4) .
C33 C32 Si2 119.0(5) .
C32 C33 C34 120.8(5) .
C35 C34 C33 119.2(6) .
C36 C35 C34 118.4(6) .
C37 C36 C35 121.8(6) .
C36 C37 C32 121.3(6) .
C39 C38 C49 116.2(4) .
C39 C38 Si2 121.2(4) .
C49 C38 Si2 122.4(4) .
C43 C39 C38 121.8(4) .
C43 C39 C40 109.2(4) .
C38 C39 C40 128.9(4) .
C52 C40 C50 110.2(4) .
C52 C40 C39 113.3(4) .
C50 C40 C39 109.5(4) .
C52 C40 C41 110.4(4) .
C50 C40 C41 111.4(4) .
C39 C40 C41 101.8(4) .
C42 C41 C40 108.7(4) .
C43 C42 C54 108.6(4) .
C43 C42 C41 101.0(4) .
C54 C42 C41 112.9(4) .
C43 C42 C56 112.5(4) .
C54 C42 C56 109.6(4) .
C41 C42 C56 112.1(4) .
C44 C43 C39 120.4(4) .
C44 C43 C42 125.8(4) .
C39 C43 C42 113.7(4) .
C43 C44 C45 119.3(4) .
C44 C45 C49 121.4(4) .
C44 C45 C46 125.3(4) .
C49 C45 C46 113.2(4) .
C45 C46 C47 102.3(4) .
C45 C46 C58 108.5(4) .
C47 C46 C58 112.2(4) .
C45 C46 C60 112.0(4) .
C47 C46 C60 112.1(4) .
C58 C46 C60 109.5(4) .
C46 C47 C48 108.1(4) .
C62 C48 C49 108.7(4) .
C62 C48 C64 109.6(4) .
C49 C48 C64 113.8(4) .
C62 C48 C47 111.2(4) .
C49 C48 C47 102.9(4) .
C64 C48 C47 110.5(4) .
C45 C49 C38 120.8(4) .
C45 C49 C48 109.3(4) .
C38 C49 C48 129.8(4) .
C51 C50 C40 117.3(4) .
C53 C52 C40 116.1(4) .
C42 C54 C55 116.6(4) .
C57 C56 C42 116.2(4) .
C59 C58 C46 116.8(4) .
C61 C60 C46 115.5(4) .
C63 C62 C48 118.2(4) .
C65 C64 C48 116.7(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C1 1.860(6) .
Si1 C4 1.911(5) .
Si1 Si2 2.156(2) .
Si2 C32 1.876(6) .
Si2 C38 1.902(5) .
C1 C2 1.387(8) .
C1 C3 1.402(8) .
C2 C3 1.374(8) 2_656
C3 C2 1.374(8) 2_656
C4 C5 1.420(7) .
C4 C15 1.436(7) .
C5 C9 1.400(7) .
C5 C6 1.530(7) .
C6 C18 1.539(7) .
C6 C16 1.551(8) .
C6 C7 1.571(7) .
C7 C8 1.553(8) .
C8 C9 1.517(7) .
C8 C22 1.534(8) .
C8 C20 1.538(8) .
C9 C10 1.378(7) .
C10 C11 1.383(8) .
C11 C15 1.391(7) .
C11 C12 1.509(8) .
C12 C26 1.529(9) .
C12 C24B 1.544(12) .
C12 C13 1.552(8) .
C12 C24A 1.563(11) .
C13 C14 1.563(7) .
C14 C15 1.532(7) .
C14 C28 1.544(8) .
C14 C30 1.548(8) .
C16 C17 1.514(8) .
C18 C19 1.529(7) .
C20 C21 1.522(9) .
C22 C23 1.516(8) .
C24B C25B 1.521(15) .
C24A C25A 1.521(14) .
C26 C27 1.502(11) .
C28 C29 1.530(9) .
C30 C31 1.524(7) .
C32 C37 1.360(8) .
C32 C33 1.389(8) .
C33 C34 1.401(8) .
C34 C35 1.391(8) .
C35 C36 1.376(8) .
C36 C37 1.359(8) .
C38 C39 1.421(7) .
C38 C49 1.426(7) .
C39 C43 1.401(7) .
C39 C40 1.547(6) .
C40 C52 1.528(7) .
C40 C50 1.546(7) .
C40 C41 1.565(6) .
C41 C42 1.540(7) .
C42 C43 1.517(6) .
C42 C54 1.526(7) .
C42 C56 1.548(7) .
C43 C44 1.385(7) .
C44 C45 1.385(7) .
C45 C49 1.399(7) .
C45 C46 1.516(6) .
C46 C47 1.539(6) .
C46 C58 1.539(7) .
C46 C60 1.550(7) .
C47 C48 1.557(7) .
C48 C62 1.534(7) .
C48 C49 1.536(6) .
C48 C64 1.555(7) .
C50 C51 1.524(7) .
C52 C53 1.527(8) .
C54 C55 1.541(7) .
C56 C57 1.515(8) .
C58 C59 1.525(7) .
C60 C61 1.510(8) .
C62 C63 1.531(7) .
C64 C65 1.523(8) .
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_4
C1 Si1 Si2 C32 -177.2(3) .
C4 Si1 Si2 C32 3.8(3) .
C1 Si1 Si2 C38 -0.3(3) .
C4 Si1 Si2 C38 -179.4(3) .
C4 Si1 C1 C2 -2.4(5) .
Si2 Si1 C1 C2 178.4(3) .
C4 Si1 C1 C3 179.3(4) .
Si2 Si1 C1 C3 0.1(5) .
C3 C1 C2 C3 0.1(8) 2_656
Si1 C1 C2 C3 -178.3(4) 2_656
C2 C1 C3 C2 -0.1(8) 2_656
Si1 C1 C3 C2 178.3(4) 2_656
C1 Si1 C4 C5 -87.6(5) .
Si2 Si1 C4 C5 91.5(5) .
C1 Si1 C4 C15 88.0(5) .
Si2 Si1 C4 C15 -92.9(5) .
C15 C4 C5 C9 -1.8(8) .
Si1 C4 C5 C9 174.0(4) .
C15 C4 C5 C6 176.4(5) .
Si1 C4 C5 C6 -7.8(8) .
C9 C5 C6 C18 116.8(5) .
C4 C5 C6 C18 -61.6(8) .
C9 C5 C6 C16 -119.6(5) .
C4 C5 C6 C16 62.0(7) .
C9 C5 C6 C7 -0.8(6) .
C4 C5 C6 C7 -179.1(6) .
C5 C6 C7 C8 0.2(6) .
C18 C6 C7 C8 -119.6(5) .
C16 C6 C7 C8 120.2(5) .
C6 C7 C8 C9 0.4(6) .
C6 C7 C8 C22 118.6(5) .
C6 C7 C8 C20 -117.6(5) .
C4 C5 C9 C10 -0.8(8) .
C6 C5 C9 C10 -179.4(5) .
C4 C5 C9 C8 179.7(5) .
C6 C5 C9 C8 1.2(7) .
C22 C8 C9 C10 59.6(7) .
C20 C8 C9 C10 -61.1(7) .
C7 C8 C9 C10 179.5(5) .
C22 C8 C9 C5 -120.9(5) .
C20 C8 C9 C5 118.4(5) .
C7 C8 C9 C5 -1.0(6) .
C5 C9 C10 C11 1.7(9) .
C8 C9 C10 C11 -178.8(5) .
C9 C10 C11 C15 0.1(9) .
C9 C10 C11 C12 178.6(6) .
C10 C11 C12 C26 -52.6(9) .
C15 C11 C12 C26 126.0(6) .
C10 C11 C12 C24B 72.0(14) .
C15 C11 C12 C24B -109.4(14) .
C10 C11 C12 C13 -173.3(6) .
C15 C11 C12 C13 5.3(7) .
C10 C11 C12 C24A 64.6(10) .
C15 C11 C12 C24A -116.8(9) .
C11 C12 C13 C14 -5.0(7) .
C26 C12 C13 C14 -125.3(6) .
C24B C12 C13 C14 117.1(10) .
C24A C12 C13 C14 108.5(8) .
C12 C13 C14 C15 3.3(7) .
C12 C13 C14 C28 -119.6(6) .
C12 C13 C14 C30 119.6(5) .
C10 C11 C15 C4 -2.8(9) .
C12 C11 C15 C4 178.5(5) .
C10 C11 C15 C14 175.3(5) .
C12 C11 C15 C14 -3.4(7) .
C5 C4 C15 C11 3.6(8) .
Si1 C4 C15 C11 -172.2(5) .
C5 C4 C15 C14 -174.1(6) .
Si1 C4 C15 C14 10.1(8) .
C28 C14 C15 C11 121.1(5) .
C30 C14 C15 C11 -116.2(5) .
C13 C14 C15 C11 -0.1(7) .
C28 C14 C15 C4 -61.1(8) .
C30 C14 C15 C4 61.6(8) .
C13 C14 C15 C4 177.8(6) .
C5 C6 C16 C17 58.8(6) .
C18 C6 C16 C17 -176.2(4) .
C7 C6 C16 C17 -56.4(6) .
C5 C6 C18 C19 -176.8(5) .
C16 C6 C18 C19 58.4(6) .
C7 C6 C18 C19 -62.2(6) .
C9 C8 C20 C21 -176.9(5) .
C22 C8 C20 C21 62.0(7) .
C7 C8 C20 C21 -63.4(7) .
C9 C8 C22 C23 54.7(7) .
C20 C8 C22 C23 175.9(5) .
C7 C8 C22 C23 -59.0(7) .
C11 C12 C24B C25B -173.6(13) .
C26 C12 C24B C25B -47(2) .
C13 C12 C24B C25B 73.1(19) .
C24A C12 C24B C25B -141(8) .
C11 C12 C24A C25A 179.1(13) .
C26 C12 C24A C25A -61.8(17) .
C24B C12 C24A C25A 29(5) .
C13 C12 C24A C25A 66.3(16) .
C11 C12 C26 C27 -47.4(8) .
C24B C12 C26 C27 -176.2(12) .
C13 C12 C26 C27 67.7(7) .
C24A C12 C26 C27 -161.9(9) .
C15 C14 C28 C29 -60.3(6) .
C30 C14 C28 C29 177.1(5) .
C13 C14 C28 C29 56.6(7) .
C15 C14 C30 C31 176.3(5) .
C28 C14 C30 C31 -58.4(6) .
C13 C14 C30 C31 63.5(6) .
C38 Si2 C32 C37 -2.4(5) .
Si1 Si2 C32 C37 174.5(4) .
C38 Si2 C32 C33 -179.4(4) .
Si1 Si2 C32 C33 -2.4(5) .
C37 C32 C33 C34 -3.0(8) .
Si2 C32 C33 C34 174.1(4) .
C32 C33 C34 C35 1.4(8) .
C33 C34 C35 C36 1.2(8) .
C34 C35 C36 C37 -2.2(9) .
C35 C36 C37 C32 0.6(9) .
C33 C32 C37 C36 2.0(8) .
Si2 C32 C37 C36 -175.0(4) .
C32 Si2 C38 C39 -94.9(5) .
Si1 Si2 C38 C39 88.3(5) .
C32 Si2 C38 C49 90.3(5) .
Si1 Si2 C38 C49 -86.5(5) .
C49 C38 C39 C43 1.3(8) .
Si2 C38 C39 C43 -173.8(4) .
C49 C38 C39 C40 178.3(5) .
Si2 C38 C39 C40 3.2(8) .
C43 C39 C40 C52 -131.1(5) .
C38 C39 C40 C52 51.6(7) .
C43 C39 C40 C50 105.5(5) .
C38 C39 C40 C50 -71.9(7) .
C43 C39 C40 C41 -12.5(6) .
C38 C39 C40 C41 170.1(5) .
C52 C40 C41 C42 143.1(4) .
C50 C40 C41 C42 -94.1(5) .
C39 C40 C41 C42 22.5(5) .
C40 C41 C42 C43 -23.2(5) .
C40 C41 C42 C54 92.5(5) .
C40 C41 C42 C56 -143.2(4) .
C38 C39 C43 C44 -0.9(8) .
C40 C39 C43 C44 -178.4(5) .
C38 C39 C43 C42 175.6(5) .
C40 C39 C43 C42 -2.0(6) .
C54 C42 C43 C44 73.1(6) .
C41 C42 C43 C44 -168.1(5) .
C56 C42 C43 C44 -48.4(7) .
C54 C42 C43 C39 -103.2(5) .
C41 C42 C43 C39 15.7(6) .
C56 C42 C43 C39 135.4(5) .
C39 C43 C44 C45 -0.6(8) .
C42 C43 C44 C45 -176.6(5) .
C43 C44 C45 C49 1.6(8) .
C43 C44 C45 C46 178.4(5) .
C44 C45 C46 C47 172.2(5) .
C49 C45 C46 C47 -10.8(6) .
C44 C45 C46 C58 -69.0(6) .
C49 C45 C46 C58 108.0(5) .
C44 C45 C46 C60 51.9(7) .
C49 C45 C46 C60 -131.0(5) .
C45 C46 C47 C48 19.0(5) .
C58 C46 C47 C48 -97.1(5) .
C60 C46 C47 C48 139.2(4) .
C46 C47 C48 C62 96.0(5) .
C46 C47 C48 C49 -20.3(5) .
C46 C47 C48 C64 -142.1(4) .
C44 C45 C49 C38 -1.2(8) .
C46 C45 C49 C38 -178.3(5) .
C44 C45 C49 C48 175.2(5) .
C46 C45 C49 C48 -1.9(6) .
C39 C38 C49 C45 -0.3(8) .
Si2 C38 C49 C45 174.8(4) .
C39 C38 C49 C48 -175.9(5) .
Si2 C38 C49 C48 -0.8(8) .
C62 C48 C49 C45 -104.4(5) .
C64 C48 C49 C45 133.2(5) .
C47 C48 C49 C45 13.6(6) .
C62 C48 C49 C38 71.5(7) .
C64 C48 C49 C38 -50.8(7) .
C47 C48 C49 C38 -170.4(5) .
C52 C40 C50 C51 73.7(6) .
C39 C40 C50 C51 -161.0(5) .
C41 C40 C50 C51 -49.2(6) .
C50 C40 C52 C53 178.1(4) .
C39 C40 C52 C53 55.1(6) .
C41 C40 C52 C53 -58.4(6) .
C43 C42 C54 C55 173.4(4) .
C41 C42 C54 C55 62.3(6) .
C56 C42 C54 C55 -63.4(6) .
C43 C42 C56 C57 -49.7(6) .
C54 C42 C56 C57 -170.5(4) .
C41 C42 C56 C57 63.3(6) .
C45 C46 C58 C59 -179.5(5) .
C47 C46 C58 C59 -67.1(6) .
C60 C46 C58 C59 58.1(6) .
C45 C46 C60 C61 50.0(6) .
C47 C46 C60 C61 -64.4(6) .
C58 C46 C60 C61 170.3(4) .
C49 C48 C62 C63 167.0(5) .
C64 C48 C62 C63 -68.1(6) .
C47 C48 C62 C63 54.4(6) .
C62 C48 C64 C65 177.4(4) .
C49 C48 C64 C65 -60.7(6) .
C47 C48 C64 C65 54.5(6) .
