#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:37:58 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178908 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/37/4113721.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_4113721
loop_
_publ_author_name
'Irina S. Toulokhonova'
'Thomas C. Stringfellow'
'Sergei A. Ivanov'
'Artem Masunov'
'Robert West'
_publ_contact_author
; 
   Prof. Robert West
   Department of Chemistry 
   University of Wisconsin 
   1101 University Ave. 
   Madison, WI  53706-1396  USA 
;
_publ_contact_author_email       west@chem.wisc.edu
_publ_contact_author_fax         1(608)2620381
_publ_contact_author_phone       1(608)2621873
_publ_section_title
;
 A Disilapentalene and a Stable Diradical from the Reaction of a
 Dilithiosilole with a Dichlorocyclopropene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5767
_journal_page_last               5773
_journal_paper_doi               10.1021/ja020763h
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         '(C43 H60 Si2) 2(C6 H6)'
_chemical_formula_sum            'C98 H72 Si2'
_chemical_formula_weight         1305.74
_chemical_melting_point          633(1)
_chemical_name_common            1,4-disila-1,4-dihydropentalene
_chemical_name_systematic
; 
 1,4-disila-1,4-dihydropentalene  
;
_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                 92.539(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4525(6)
_cell_length_b                   25.5330(16)
_cell_length_c                   13.6438(8)
_cell_measurement_reflns_used    4556
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      2.18
_cell_volume                     3637.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'ω scan frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1081
_diffrn_reflns_av_sigmaI/netI    0.1477
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19579
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        0.13
_diffrn_standards_number         140
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_description       plate
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         6406
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0708P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1681
_reflns_number_gt                3011
_reflns_number_total             6406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja020763h.cif
_cod_data_source_block           1,4-disila-1,4-dihydropentalene
_cod_database_code               4113721
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.47546(10) 0.57328(4) 0.42133(7) 0.0274(3) Uani 1 1 d . . .
C2 C 0.4434(3) 0.58006(12) 0.2874(3) 0.0266(9) Uani 1 1 d . . .
C3 C 0.5159(3) 0.62018(13) 0.2553(2) 0.0250(8) Uani 1 1 d . . .
C4 C 0.5958(3) 0.64878(13) 0.3341(3) 0.0282(9) Uani 1 1 d . . .
C5 C 0.5859(3) 0.63069(13) 0.4277(3) 0.0283(9) Uani 1 1 d . . .
C6 C 0.3652(4) 0.54304(13) 0.2262(3) 0.0291(9) Uani 1 1 d . . .
C7 C 0.2498(4) 0.52450(14) 0.2592(3) 0.0388(10) Uani 1 1 d . . .
H7 H 0.2199 0.5367 0.3198 0.047 Uiso 1 1 calc R . .
C8 C 0.1775(4) 0.48822(15) 0.2045(3) 0.0447(11) Uani 1 1 d . . .
H8 H 0.0970 0.4771 0.2268 0.054 Uiso 1 1 calc R . .
C9 C 0.2213(4) 0.46828(15) 0.1187(3) 0.0448(11) Uani 1 1 d . . .
H9 H 0.1717 0.4435 0.0815 0.054 Uiso 1 1 calc R . .
C10 C 0.3384(4) 0.48469(14) 0.0873(3) 0.0418(11) Uani 1 1 d . . .
H10 H 0.3705 0.4704 0.0290 0.050 Uiso 1 1 calc R . .
C11 C 0.4095(4) 0.52171(14) 0.1396(3) 0.0365(10) Uani 1 1 d . . .
H11 H 0.4895 0.5328 0.1164 0.044 Uiso 1 1 calc R . .
C12 C 0.5197(3) 0.63621(12) 0.1509(3) 0.0261(9) Uani 1 1 d . . .
C13 C 0.4043(4) 0.64823(13) 0.0995(3) 0.0352(10) Uani 1 1 d . . .
H13 H 0.3265 0.6481 0.1329 0.042 Uiso 1 1 calc R . .
C14 C 0.4031(4) 0.66028(14) 0.0000(3) 0.0429(11) Uani 1 1 d . . .
H14 H 0.3247 0.6687 -0.0344 0.051 Uiso 1 1 calc R . .
C15 C 0.5164(5) 0.66000(14) -0.0486(3) 0.0441(11) Uani 1 1 d . . .
H15 H 0.5159 0.6679 -0.1166 0.053 Uiso 1 1 calc R . .
C16 C 0.6298(4) 0.64827(14) 0.0017(3) 0.0364(10) Uani 1 1 d . . .
H16 H 0.7074 0.6478 -0.0320 0.044 Uiso 1 1 calc R . .
C17 C 0.6316(4) 0.63721(13) 0.1006(3) 0.0325(9) Uani 1 1 d . . .
H17 H 0.7109 0.6302 0.1347 0.039 Uiso 1 1 calc R . .
C18 C 0.6811(4) 0.69218(13) 0.3048(3) 0.0294(9) Uani 1 1 d . . .
C19 C 0.6333(4) 0.73669(14) 0.2572(3) 0.0379(10) Uani 1 1 d . . .
H19 H 0.5440 0.7397 0.2423 0.045 Uiso 1 1 calc R . .
C20 C 0.7152(5) 0.77668(15) 0.2312(3) 0.0492(12) Uani 1 1 d . . .
H20 H 0.6808 0.8073 0.2006 0.059 Uiso 1 1 calc R . .
C21 C 0.8455(5) 0.77256(17) 0.2491(3) 0.0526(13) Uani 1 1 d . . .
H21 H 0.9013 0.7996 0.2295 0.063 Uiso 1 1 calc R . .
C22 C 0.8933(4) 0.72872(17) 0.2955(3) 0.0483(12) Uani 1 1 d . . .
H22 H 0.9830 0.7255 0.3084 0.058 Uiso 1 1 calc R . .
C23 C 0.8121(4) 0.68890(15) 0.3241(3) 0.0383(10) Uani 1 1 d . . .
H23 H 0.8469 0.6591 0.3573 0.046 Uiso 1 1 calc R . .
C24 C 0.6396(3) 0.65316(14) 0.5204(3) 0.0304(9) Uani 1 1 d . . .
C25 C 0.6717(4) 0.70575(14) 0.5344(3) 0.0392(10) Uani 1 1 d . . .
H25 H 0.6658 0.7291 0.4801 0.047 Uiso 1 1 calc R . .
C26 C 0.7119(4) 0.72470(16) 0.6259(3) 0.0501(12) Uani 1 1 d . . .
H26 H 0.7332 0.7607 0.6335 0.060 Uiso 1 1 calc R . .
C27 C 0.7213(4) 0.69184(17) 0.7053(3) 0.0481(11) Uani 1 1 d . . .
H27 H 0.7481 0.7051 0.7680 0.058 Uiso 1 1 calc R . .
C28 C 0.6920(4) 0.63989(16) 0.6941(3) 0.0468(11) Uani 1 1 d . . .
H28 H 0.6997 0.6169 0.7488 0.056 Uiso 1 1 calc R . .
C29 C 0.6514(4) 0.62094(15) 0.6035(3) 0.0382(10) Uani 1 1 d . . .
H29 H 0.6307 0.5848 0.5970 0.046 Uiso 1 1 calc R . .
C30 C 0.4617(3) 0.49142(12) 0.5358(2) 0.0258(9) Uani 1 1 d . . .
C31 C 0.3555(3) 0.52682(13) 0.5621(3) 0.0280(9) Uani 1 1 d . . .
C32 C 0.3407(3) 0.57155(13) 0.5079(3) 0.0294(9) Uani 1 1 d . . .
C33 C 0.2843(4) 0.51077(14) 0.6507(3) 0.0356(10) Uani 1 1 d . . .
C34 C 0.1992(4) 0.47035(16) 0.6479(4) 0.0592(14) Uani 1 1 d . . .
H34 H 0.1792 0.4525 0.5881 0.071 Uiso 1 1 calc R . .
C35 C 0.1407(5) 0.45523(19) 0.7358(5) 0.0756(18) Uani 1 1 d . . .
H35 H 0.0793 0.4278 0.7353 0.091 Uiso 1 1 calc R . .
C36 C 0.1745(6) 0.4810(2) 0.8211(4) 0.0743(18) Uani 1 1 d . . .
H36 H 0.1367 0.4704 0.8800 0.089 Uiso 1 1 calc R . .
C37 C 0.2594(5) 0.5209(2) 0.8247(4) 0.0748(17) Uani 1 1 d . . .
H37 H 0.2805 0.5381 0.8850 0.090 Uiso 1 1 calc R . .
C38 C 0.3153(4) 0.53632(19) 0.7392(3) 0.0562(13) Uani 1 1 d . . .
H38 H 0.3749 0.5644 0.7407 0.067 Uiso 1 1 calc R . .
C39 C 0.2390(4) 0.61144(13) 0.5144(2) 0.0288(9) Uani 1 1 d . . .
C40 C 0.1177(4) 0.60102(15) 0.5479(3) 0.0398(10) Uani 1 1 d . . .
H40 H 0.0986 0.5669 0.5707 0.048 Uiso 1 1 calc R . .
C41 C 0.0244(4) 0.63958(16) 0.5487(3) 0.0432(11) Uani 1 1 d . . .
H41 H -0.0575 0.6316 0.5723 0.052 Uiso 1 1 calc R . .
C42 C 0.0488(4) 0.68911(15) 0.5158(3) 0.0404(11) Uani 1 1 d . . .
H42 H -0.0154 0.7154 0.5163 0.049 Uiso 1 1 calc R . .
C43 C 0.1687(4) 0.70016(15) 0.4818(3) 0.0463(11) Uani 1 1 d . . .
H43 H 0.1873 0.7344 0.4595 0.056 Uiso 1 1 calc R . .
C44 C 0.2609(4) 0.66191(14) 0.4801(3) 0.0415(11) Uani 1 1 d . . .
H44 H 0.3418 0.6701 0.4548 0.050 Uiso 1 1 calc R . .
C1S C 0.5849(10) 0.9007(3) 0.4985(8) 0.059(2) Uani 0.497(10) 1 d PDU A 1
H1S H 0.6313 0.9322 0.5113 0.070 Uiso 0.497(10) 1 calc PR A 1
C2S C 0.5613(11) 0.8839(4) 0.4021(6) 0.059(2) Uani 0.497(10) 1 d PDU A 1
H2S H 0.5915 0.9040 0.3492 0.070 Uiso 0.497(10) 1 calc PR A 1
C3S C 0.4938(18) 0.8379(5) 0.3834(5) 0.0670(19) Uani 0.497(10) 1 d PDU A 1
H3S H 0.4804 0.8258 0.3179 0.080 Uiso 0.497(10) 1 calc PR A 1
C4S C 0.4458(14) 0.8096(4) 0.4606(8) 0.071(2) Uani 0.497(10) 1 d PDU A 1
H4S H 0.3936 0.7798 0.4476 0.085 Uiso 0.497(10) 1 calc PR A 1
C5S C 0.4742(13) 0.8249(5) 0.5568(7) 0.070(2) Uani 0.497(10) 1 d PDU A 1
H5S H 0.4483 0.8037 0.6096 0.084 Uiso 0.497(10) 1 calc PR A 1
C6S C 0.5405(12) 0.8714(5) 0.5759(5) 0.070(2) Uani 0.497(10) 1 d PDU A 1
H6S H 0.5553 0.8831 0.6416 0.084 Uiso 0.497(10) 1 calc PR A 1
C1S' C 0.5554(13) 0.8913(3) 0.4420(9) 0.071(2) Uani 0.503(10) 1 d PDU A 2
H1S' H 0.5850 0.9212 0.4085 0.085 Uiso 0.503(10) 1 calc PR A 2
C2S' C 0.5057(19) 0.8490(5) 0.3890(5) 0.0695(19) Uani 0.503(10) 1 d PDU A 2
H2S' H 0.5024 0.8499 0.3194 0.083 Uiso 0.503(10) 1 calc PR A 2
C3S' C 0.4609(14) 0.8054(4) 0.4380(6) 0.068(2) Uani 0.503(10) 1 d PDU A 2
H3S' H 0.4315 0.7756 0.4019 0.082 Uiso 0.503(10) 1 calc PR A 2
C4S' C 0.4591(11) 0.8055(3) 0.5398(6) 0.061(2) Uani 0.503(10) 1 d PDU A 2
H4S' H 0.4233 0.7766 0.5730 0.073 Uiso 0.503(10) 1 calc PR A 2
C5S' C 0.5096(12) 0.8477(4) 0.5932(5) 0.063(2) Uani 0.503(10) 1 d PDU A 2
H5S' H 0.5082 0.8478 0.6628 0.075 Uiso 0.503(10) 1 calc PR A 2
C6S' C 0.5622(12) 0.8899(3) 0.5441(9) 0.067(2) Uani 0.503(10) 1 d PDU A 2
H6S' H 0.6025 0.9177 0.5801 0.080 Uiso 0.503(10) 1 calc PR A 2
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
_geom_angle_site_symmetry_3
C2 Si1 C30 116.03(15) . 3_666
C2 Si1 C5 93.27(15) . .
C30 Si1 C5 118.27(16) 3_666 .
C2 Si1 C32 121.00(16) . .
C30 Si1 C32 92.60(15) 3_666 .
C5 Si1 C32 117.96(16) . .
C3 C2 C6 126.9(3) . .
C3 C2 Si1 108.1(3) . .
C6 C2 Si1 124.6(2) . .
C2 C3 C12 123.8(3) . .
C2 C3 C4 115.5(3) . .
C12 C3 C4 120.6(3) . .
C5 C4 C18 125.0(3) . .
C5 C4 C3 115.9(3) . .
C18 C4 C3 119.1(3) . .
C4 C5 C24 128.9(3) . .
C4 C5 Si1 107.1(3) . .
C24 C5 Si1 123.8(3) . .
C7 C6 C11 117.8(3) . .
C7 C6 C2 120.0(3) . .
C11 C6 C2 121.9(3) . .
C6 C7 C8 120.8(4) . .
C9 C8 C7 120.6(4) . .
C8 C9 C10 119.1(4) . .
C9 C10 C11 120.8(4) . .
C10 C11 C6 120.8(4) . .
C17 C12 C13 118.4(3) . .
C17 C12 C3 122.8(3) . .
C13 C12 C3 118.8(3) . .
C14 C13 C12 120.5(4) . .
C15 C14 C13 119.7(4) . .
C16 C15 C14 120.0(4) . .
C15 C16 C17 120.5(4) . .
C16 C17 C12 121.0(4) . .
C23 C18 C19 118.0(3) . .
C23 C18 C4 120.2(3) . .
C19 C18 C4 121.8(4) . .
C20 C19 C18 120.5(4) . .
C21 C20 C19 121.0(4) . .
C22 C21 C20 118.8(4) . .
C21 C22 C23 120.8(4) . .
C18 C23 C22 120.8(4) . .
C25 C24 C29 116.2(3) . .
C25 C24 C5 124.8(3) . .
C29 C24 C5 118.8(3) . .
C26 C25 C24 121.4(4) . .
C27 C26 C25 120.5(4) . .
C28 C27 C26 119.8(4) . .
C27 C28 C29 120.0(4) . .
C28 C29 C24 122.2(4) . .
C30 C30 C31 116.5(4) 3_666 .
C30 C30 Si1 107.5(3) 3_666 3_666
C31 C30 Si1 136.0(2) . 3_666
C32 C31 C30 116.5(3) . .
C32 C31 C33 127.9(3) . .
C30 C31 C33 115.4(3) . .
C31 C32 C39 127.5(3) . .
C31 C32 Si1 106.8(3) . .
C39 C32 Si1 125.6(3) . .
C34 C33 C38 120.3(4) . .
C34 C33 C31 122.0(4) . .
C38 C33 C31 117.6(4) . .
C33 C34 C35 119.1(5) . .
C36 C35 C34 118.7(5) . .
C37 C36 C35 122.5(5) . .
C36 C37 C38 119.0(5) . .
C37 C38 C33 120.3(5) . .
C40 C39 C44 116.9(3) . .
C40 C39 C32 123.8(3) . .
C44 C39 C32 119.2(3) . .
C41 C40 C39 121.2(4) . .
C42 C41 C40 120.8(4) . .
C41 C42 C43 118.9(4) . .
C44 C43 C42 120.5(4) . .
C43 C44 C39 121.7(4) . .
C6S C1S C2S 120.0(2) . .
C3S C2S C1S 120.0(2) . .
C2S C3S C4S 119.9(2) . .
C5S C4S C3S 120.1(2) . .
C4S C5S C6S 120.0(2) . .
C1S C6S C5S 119.8(2) . .
C2S' C1S' C6S' 120.3(2) . .
C1S' C2S' C3S' 119.9(2) . .
C2S' C3S' C4S' 119.9(2) . .
C3S' C4S' C5S' 120.1(2) . .
C4S' C5S' C6S' 119.7(2) . .
C1S' C6S' C5S' 119.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C2 1.851(4) .
Si1 C30 1.862(3) 3_666
Si1 C5 1.865(4) .
Si1 C32 1.879(3) .
C2 C3 1.358(4) .
C2 C6 1.483(5) .
C3 C12 1.484(5) .
C3 C4 1.519(5) .
C4 C5 1.367(5) .
C4 C18 1.488(5) .
C5 C24 1.476(5) .
C6 C7 1.389(5) .
C6 C11 1.399(5) .
C7 C8 1.391(5) .
C8 C9 1.374(5) .
C9 C10 1.380(5) .
C10 C11 1.381(5) .
C12 C17 1.382(5) .
C12 C13 1.402(5) .
C13 C14 1.392(5) .
C14 C15 1.382(5) .
C15 C16 1.376(6) .
C16 C17 1.377(5) .
C18 C23 1.385(5) .
C18 C19 1.391(5) .
C19 C20 1.388(5) .
C20 C21 1.377(6) .
C21 C22 1.370(6) .
C22 C23 1.391(5) .
C24 C25 1.395(5) .
C24 C29 1.402(5) .
C25 C26 1.387(5) .
C26 C27 1.371(5) .
C27 C28 1.368(5) .
C28 C29 1.378(5) .
C30 C30 1.362(6) 3_666
C30 C31 1.487(4) .
C30 Si1 1.862(3) 3_666
C31 C32 1.365(5) .
C31 C33 1.505(5) .
C32 C39 1.478(5) .
C33 C34 1.361(5) .
C33 C38 1.398(6) .
C34 C35 1.423(6) .
C35 C36 1.370(7) .
C36 C37 1.350(7) .
C37 C38 1.385(6) .
C39 C40 1.392(5) .
C39 C44 1.394(5) .
C40 C41 1.386(5) .
C41 C42 1.370(5) .
C42 C43 1.384(5) .
C43 C44 1.373(5) .
C1S C6S 1.390(4) .
C1S C2S 1.395(4) .
C2S C3S 1.387(4) .
C3S C4S 1.389(4) .
C4S C5S 1.388(4) .
C5S C6S 1.393(4) .
C1S' C2S' 1.387(4) .
C1S' C6S' 1.391(4) .
C2S' C3S' 1.390(4) .
C3S' C4S' 1.390(4) .
C4S' C5S' 1.392(4) .
C5S' C6S' 1.396(4) .
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
C30 Si1 C2 C3 -121.0(2) 3_666
C5 Si1 C2 C3 2.7(3) .
C32 Si1 C2 C3 128.3(2) .
C30 Si1 C2 C6 51.6(3) 3_666
C5 Si1 C2 C6 175.4(3) .
C32 Si1 C2 C6 -59.0(3) .
C6 C2 C3 C12 5.2(6) .
Si1 C2 C3 C12 177.6(3) .
C6 C2 C3 C4 -174.6(3) .
Si1 C2 C3 C4 -2.2(4) .
C2 C3 C4 C5 0.3(4) .
C12 C3 C4 C5 -179.6(3) .
C2 C3 C4 C18 178.1(3) .
C12 C3 C4 C18 -1.8(5) .
C18 C4 C5 C24 9.4(6) .
C3 C4 C5 C24 -172.9(3) .
C18 C4 C5 Si1 -175.9(3) .
C3 C4 C5 Si1 1.8(4) .
C2 Si1 C5 C4 -2.6(3) .
C30 Si1 C5 C4 119.4(2) 3_666
C32 Si1 C5 C4 -130.5(2) .
C2 Si1 C5 C24 172.5(3) .
C30 Si1 C5 C24 -65.5(3) 3_666
C32 Si1 C5 C24 44.6(3) .
C3 C2 C6 C7 -144.8(4) .
Si1 C2 C6 C7 44.0(5) .
C3 C2 C6 C11 41.6(5) .
Si1 C2 C6 C11 -129.6(3) .
C11 C6 C7 C8 -3.7(6) .
C2 C6 C7 C8 -177.5(3) .
C6 C7 C8 C9 2.8(6) .
C7 C8 C9 C10 0.1(6) .
C8 C9 C10 C11 -1.8(6) .
C9 C10 C11 C6 0.7(6) .
C7 C6 C11 C10 2.0(5) .
C2 C6 C11 C10 175.7(3) .
C2 C3 C12 C17 -121.9(4) .
C4 C3 C12 C17 58.0(4) .
C2 C3 C12 C13 54.7(5) .
C4 C3 C12 C13 -125.5(3) .
C17 C12 C13 C14 0.7(5) .
C3 C12 C13 C14 -176.0(3) .
C12 C13 C14 C15 0.5(5) .
C13 C14 C15 C16 -0.5(6) .
C14 C15 C16 C17 -0.6(6) .
C15 C16 C17 C12 1.8(5) .
C13 C12 C17 C16 -1.8(5) .
C3 C12 C17 C16 174.8(3) .
C5 C4 C18 C23 58.4(5) .
C3 C4 C18 C23 -119.2(4) .
C5 C4 C18 C19 -122.1(4) .
C3 C4 C18 C19 60.2(5) .
C23 C18 C19 C20 -0.8(5) .
C4 C18 C19 C20 179.7(3) .
C18 C19 C20 C21 2.1(6) .
C19 C20 C21 C22 -1.7(6) .
C20 C21 C22 C23 0.2(6) .
C19 C18 C23 C22 -0.8(5) .
C4 C18 C23 C22 178.8(3) .
C21 C22 C23 C18 1.1(6) .
C4 C5 C24 C25 24.1(6) .
Si1 C5 C24 C25 -149.8(3) .
C4 C5 C24 C29 -160.9(4) .
Si1 C5 C24 C29 25.2(5) .
C29 C24 C25 C26 -0.5(6) .
C5 C24 C25 C26 174.7(4) .
C24 C25 C26 C27 0.1(6) .
C25 C26 C27 C28 0.7(7) .
C26 C27 C28 C29 -1.0(6) .
C27 C28 C29 C24 0.6(6) .
C25 C24 C29 C28 0.2(6) .
C5 C24 C29 C28 -175.3(4) .
C30 C30 C31 C32 3.7(6) 3_666
Si1 C30 C31 C32 -178.1(3) 3_666
C30 C30 C31 C33 -171.6(4) 3_666
Si1 C30 C31 C33 6.6(6) 3_666
C30 C31 C32 C39 175.9(3) .
C33 C31 C32 C39 -9.5(6) .
C30 C31 C32 Si1 -3.9(4) .
C33 C31 C32 Si1 170.7(3) .
C2 Si1 C32 C31 125.3(3) .
C30 Si1 C32 C31 2.7(3) 3_666
C5 Si1 C32 C31 -121.5(3) .
C2 Si1 C32 C39 -54.5(4) .
C30 Si1 C32 C39 -177.1(3) 3_666
C5 Si1 C32 C39 58.8(4) .
C32 C31 C33 C34 110.6(5) .
C30 C31 C33 C34 -74.7(5) .
C32 C31 C33 C38 -74.2(5) .
C30 C31 C33 C38 100.5(4) .
C38 C33 C34 C35 1.2(6) .
C31 C33 C34 C35 176.3(4) .
C33 C34 C35 C36 -1.7(7) .
C34 C35 C36 C37 1.3(8) .
C35 C36 C37 C38 -0.3(8) .
C36 C37 C38 C33 -0.2(7) .
C34 C33 C38 C37 -0.3(6) .
C31 C33 C38 C37 -175.6(4) .
C31 C32 C39 C40 -26.0(6) .
Si1 C32 C39 C40 153.8(3) .
C31 C32 C39 C44 158.0(4) .
Si1 C32 C39 C44 -22.3(5) .
C44 C39 C40 C41 -1.2(6) .
C32 C39 C40 C41 -177.4(4) .
C39 C40 C41 C42 0.4(6) .
C40 C41 C42 C43 -0.1(6) .
C41 C42 C43 C44 0.7(6) .
C42 C43 C44 C39 -1.7(6) .
C40 C39 C44 C43 1.9(6) .
C32 C39 C44 C43 178.2(4) .
C6S C1S C2S C3S -0.1(17) .
C1S C2S C3S C4S 2(2) .
C2S C3S C4S C5S -5(3) .
C3S C4S C5S C6S 6(2) .
C2S C1S C6S C5S 0.9(17) .
C4S C5S C6S C1S -3.9(19) .
C6S' C1S' C2S' C3S' 1(2) .
C1S' C2S' C3S' C4S' 4(3) .
C2S' C3S' C4S' C5S' -4(2) .
C3S' C4S' C5S' C6S' -0.1(16) .
C2S' C1S' C6S' C5S' -5(2) .
C4S' C5S' C6S' C1S' 4.7(17) .
