#------------------------------------------------------------------------------
#$Date: 2016-03-21 04:30:10 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178471 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/92/4029205.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_4029205
loop_
_publ_author_name
'Inubushi, Hikaru'
'Hattori, Yohei'
'Yamanoi, Yoshinori'
'Nishihara, Hiroshi'
_publ_section_title
;
 Structures and Optical Properties of Tris(trimethylsilyl)silylated
 Oligothiophene Derivatives.
;
_journal_issue                   7
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2974
_journal_page_last               2979
_journal_paper_doi               10.1021/jo500029f
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C26 H56 S3 Si8'
_chemical_formula_sum            'C26 H56 S3 Si8'
_chemical_formula_weight         689.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                105.6911(15)
_cell_angle_beta                 101.137(3)
_cell_angle_gamma                97.772(2)
_cell_formula_units_Z            2
_cell_length_a                   8.8266(15)
_cell_length_b                   15.669(3)
_cell_length_c                   16.195(3)
_cell_measurement_reflns_used    6219
_cell_measurement_temperature    127
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     2073.7(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      127
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0166
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15170
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.425
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.822
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     334
_refine_ls_number_reflns         8524
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0523P)²+0.3596P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0865
_reflns_number_gt                7548
_reflns_number_total             8524
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            jo500029f_si_006.cif
_cod_data_source_block           Si-F3-20130712
_cod_depositor_comments
;Adding full bibliography for
 ./tmp-cod-update-bibliographies-12971/cifs/4029205.cif.
;
_cod_original_cell_volume        2073.6(7)
_cod_database_code               4029205
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
S1 S 0.74017(4) 0.29504(2) 0.20522(2) 0.02171(8) Uani 1.0 2 d .
S2 S 0.76927(5) 0.50277(3) 0.43581(2) 0.02873(9) Uani 1.0 2 d .
S3 S 0.51184(4) 0.49188(2) 0.18721(2) 0.02360(9) Uani 1.0 2 d .
Si1 Si 0.97105(4) 0.17375(3) 0.26937(2) 0.02054(9) Uani 1.0 2 d .
Si2 Si 0.22818(5) 0.23370(3) 0.26351(3) 0.02827(10) Uani 1.0 2 d .
Si3 Si -0.02063(5) 0.12152(3) 0.39291(3) 0.02668(10) Uani 1.0 2 d .
Si4 Si -0.16970(5) 0.05843(3) 0.13959(3) 0.02907(10) Uani 1.0 2 d .
Si5 Si 0.34800(4) 0.66173(2) 0.22448(2) 0.02016(9) Uani 1.0 2 d .
Si6 Si 1.12149(5) 0.60999(3) 0.26668(3) 0.02776(10) Uani 1.0 2 d .
Si7 Si 1.30347(5) 0.63984(3) 0.07110(3) 0.02852(10) Uani 1.0 2 d .
Si8 Si 1.46237(5) 0.81438(3) 0.29784(3) 0.02715(10) Uani 1.0 2 d .
C1 C 0.86515(16) 0.27162(9) 0.29041(9) 0.0213(3) Uani 1.0 2 d .
C2 C 0.88038(17) 0.33670(10) 0.36958(9) 0.0253(3) Uani 1.0 2 d .
C3 C 0.79320(17) 0.40473(9) 0.36121(9) 0.0225(3) Uani 1.0 2 d .
C4 C 0.71122(16) 0.39226(9) 0.27552(9) 0.0203(3) Uani 1.0 2 d .
C5 C 0.63042(16) 0.46370(9) 0.26898(9) 0.0201(3) Uani 1.0 2 d .
C6 C 0.65112(16) 0.52864(9) 0.34998(9) 0.0216(3) Uani 1.0 2 d .
C7 C 0.57039(17) 0.60020(9) 0.34517(9) 0.0236(3) Uani 1.0 2 d .
C8 C 0.48836(16) 0.59065(9) 0.26101(9) 0.0209(3) Uani 1.0 2 d .
C9 C 0.2300(3) 0.24758(14) 0.15256(13) 0.0489(5) Uani 1.0 2 d .
C10 C 0.3660(3) 0.15792(15) 0.28728(17) 0.0544(6) Uani 1.0 2 d .
C11 C 0.3000(3) 0.34636(13) 0.35031(13) 0.0470(5) Uani 1.0 2 d .
C12 C 0.0621(3) 0.01584(12) 0.37872(13) 0.0401(4) Uani 1.0 2 d .
C13 C -0.2245(3) 0.10031(13) 0.41001(13) 0.0427(5) Uani 1.0 2 d .
C14 C 0.1101(3) 0.20689(14) 0.49570(12) 0.0531(6) Uani 1.0 2 d .
C15 C -0.3718(3) 0.01550(15) 0.14715(14) 0.0557(6) Uani 1.0 2 d .
C16 C -0.0627(4) -0.03719(18) 0.12453(17) 0.0870(10) Uani 1.0 2 d .
C17 C -0.1943(3) 0.09904(16) 0.03998(12) 0.0598(7) Uani 1.0 2 d .
C18 C 1.0571(3) 0.48701(12) 0.20470(14) 0.0459(5) Uani 1.0 2 d .
C19 C 0.9586(3) 0.67110(15) 0.24352(16) 0.0520(5) Uani 1.0 2 d .
C20 C 1.1733(3) 0.62178(15) 0.38757(12) 0.0493(5) Uani 1.0 2 d .
C21 C 1.2597(3) 0.51713(12) 0.00466(11) 0.0412(4) Uani 1.0 2 d .
C22 C 1.1293(3) 0.68991(13) 0.03737(12) 0.0424(4) Uani 1.0 2 d .
C23 C 1.4792(3) 0.69792(14) 0.04402(12) 0.0473(5) Uani 1.0 2 d .
C24 C 1.3477(3) 0.88761(11) 0.24731(15) 0.0438(5) Uani 1.0 2 d .
C25 C 1.67042(19) 0.83476(11) 0.28706(12) 0.0362(4) Uani 1.0 2 d .
C26 C 1.4631(3) 0.84741(13) 0.41777(13) 0.0520(5) Uani 1.0 2 d .
H2 H 0.9428 0.3361 0.4242 0.0303 Uiso 1.0 2 calc R
H7 H 0.5728 0.6496 0.3950 0.0283 Uiso 1.0 2 calc R
H9A H 0.1972 0.1883 0.1074 0.0587 Uiso 1.0 2 calc R
H9B H 0.3367 0.2750 0.1527 0.0587 Uiso 1.0 2 calc R
H9C H 0.1571 0.2867 0.1394 0.0587 Uiso 1.0 2 calc R
H10A H 0.4728 0.1850 0.2874 0.0653 Uiso 1.0 2 calc R
H10B H 0.3323 0.0989 0.2417 0.0653 Uiso 1.0 2 calc R
H10C H 0.3651 0.1501 0.3452 0.0653 Uiso 1.0 2 calc R
H11A H 0.2315 0.3879 0.3381 0.0564 Uiso 1.0 2 calc R
H11B H 0.4080 0.3709 0.3499 0.0564 Uiso 1.0 2 calc R
H11C H 0.2983 0.3392 0.4084 0.0564 Uiso 1.0 2 calc R
H12A H -0.0045 -0.0319 0.3269 0.0481 Uiso 1.0 2 calc R
H12B H 0.0650 -0.0038 0.4315 0.0481 Uiso 1.0 2 calc R
H12C H 0.1691 0.0279 0.3704 0.0481 Uiso 1.0 2 calc R
H13A H -0.2215 0.0804 0.4626 0.0513 Uiso 1.0 2 calc R
H13B H -0.2928 0.0532 0.3583 0.0513 Uiso 1.0 2 calc R
H13C H -0.2660 0.1562 0.4181 0.0513 Uiso 1.0 2 calc R
H14A H 0.1112 0.1832 0.5459 0.0637 Uiso 1.0 2 calc R
H14B H 0.0699 0.2632 0.5071 0.0637 Uiso 1.0 2 calc R
H14C H 0.2174 0.2188 0.4877 0.0637 Uiso 1.0 2 calc R
H15A H -0.4252 -0.0342 0.0935 0.0668 Uiso 1.0 2 calc R
H15B H -0.4311 0.0645 0.1533 0.0668 Uiso 1.0 2 calc R
H15C H -0.3656 -0.0064 0.1987 0.0668 Uiso 1.0 2 calc R
H16A H -0.1188 -0.0856 0.0704 0.1044 Uiso 1.0 2 calc R
H16B H -0.0571 -0.0604 0.1753 0.1044 Uiso 1.0 2 calc R
H16C H 0.0442 -0.0159 0.1201 0.1044 Uiso 1.0 2 calc R
H17A H -0.2552 0.1473 0.0476 0.0718 Uiso 1.0 2 calc R
H17B H -0.2502 0.0487 -0.0126 0.0718 Uiso 1.0 2 calc R
H17C H -0.0905 0.1224 0.0328 0.0718 Uiso 1.0 2 calc R
H18A H 0.9651 0.4618 0.2223 0.0551 Uiso 1.0 2 calc R
H18B H 1.1431 0.4556 0.2181 0.0551 Uiso 1.0 2 calc R
H18C H 1.0293 0.4790 0.1411 0.0551 Uiso 1.0 2 calc R
H19A H 0.8676 0.6465 0.2623 0.0624 Uiso 1.0 2 calc R
H19B H 0.9285 0.6632 0.1800 0.0624 Uiso 1.0 2 calc R
H19C H 0.9942 0.7356 0.2761 0.0624 Uiso 1.0 2 calc R
H20A H 1.2583 0.5894 0.4000 0.0591 Uiso 1.0 2 calc R
H20B H 1.0805 0.5962 0.4043 0.0591 Uiso 1.0 2 calc R
H20C H 1.2081 0.6859 0.4217 0.0591 Uiso 1.0 2 calc R
H21A H 1.3510 0.4902 0.0200 0.0495 Uiso 1.0 2 calc R
H21B H 1.2374 0.5116 -0.0585 0.0495 Uiso 1.0 2 calc R
H21C H 1.1680 0.4855 0.0177 0.0495 Uiso 1.0 2 calc R
H22A H 1.1079 0.6812 -0.0263 0.0508 Uiso 1.0 2 calc R
H22B H 1.1519 0.7547 0.0694 0.0508 Uiso 1.0 2 calc R
H22C H 1.0371 0.6600 0.0514 0.0508 Uiso 1.0 2 calc R
H23A H 1.5015 0.7627 0.0763 0.0568 Uiso 1.0 2 calc R
H23B H 1.4572 0.6895 -0.0197 0.0568 Uiso 1.0 2 calc R
H23C H 1.5708 0.6719 0.0613 0.0568 Uiso 1.0 2 calc R
H24A H 1.3988 0.9512 0.2760 0.0526 Uiso 1.0 2 calc R
H24B H 1.2402 0.8782 0.2555 0.0526 Uiso 1.0 2 calc R
H24C H 1.3441 0.8717 0.1840 0.0526 Uiso 1.0 2 calc R
H25A H 1.7305 0.7982 0.3161 0.0434 Uiso 1.0 2 calc R
H25B H 1.7183 0.8990 0.3151 0.0434 Uiso 1.0 2 calc R
H25C H 1.6715 0.8178 0.2244 0.0434 Uiso 1.0 2 calc R
H26A H 1.3545 0.8388 0.4242 0.0623 Uiso 1.0 2 calc R
H26B H 1.5144 0.9111 0.4458 0.0623 Uiso 1.0 2 calc R
H26C H 1.5209 0.8096 0.4462 0.0623 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 S1 C4 92.67(7) yes . .
C3 S2 C6 90.44(7) yes . .
C5 S3 C8 92.85(7) yes . .
Si2 Si1 Si3 110.59(3) yes 1_655 1_655
Si2 Si1 Si4 113.45(3) yes 1_655 1_655
Si2 Si1 C1 106.63(5) yes 1_655 .
Si3 Si1 Si4 110.22(3) yes 1_655 1_655
Si3 Si1 C1 105.13(6) yes 1_655 .
Si4 Si1 C1 110.45(5) yes 1_655 .
Si1 Si2 C9 111.09(7) yes 1_455 .
Si1 Si2 C10 110.43(8) yes 1_455 .
Si1 Si2 C11 108.78(7) yes 1_455 .
C9 Si2 C10 109.07(12) yes . .
C9 Si2 C11 109.40(10) yes . .
C10 Si2 C11 108.00(9) yes . .
Si1 Si3 C12 111.47(8) yes 1_455 .
Si1 Si3 C13 108.97(8) yes 1_455 .
Si1 Si3 C14 111.39(8) yes 1_455 .
C12 Si3 C13 110.23(10) yes . .
C12 Si3 C14 106.21(10) yes . .
C13 Si3 C14 108.51(10) yes . .
Si1 Si4 C15 111.54(7) yes 1_455 .
Si1 Si4 C16 108.31(8) yes 1_455 .
Si1 Si4 C17 112.11(7) yes 1_455 .
C15 Si4 C16 108.24(12) yes . .
C15 Si4 C17 106.16(11) yes . .
C16 Si4 C17 110.42(13) yes . .
Si6 Si5 Si7 112.93(2) yes 1_455 1_455
Si6 Si5 Si8 114.06(3) yes 1_455 1_455
Si6 Si5 C8 102.16(6) yes 1_455 .
Si7 Si5 Si8 107.92(3) yes 1_455 1_455
Si7 Si5 C8 111.44(5) yes 1_455 .
Si8 Si5 C8 108.19(4) yes 1_455 .
Si5 Si6 C18 106.62(8) yes 1_655 .
Si5 Si6 C19 113.24(9) yes 1_655 .
Si5 Si6 C20 109.46(7) yes 1_655 .
C18 Si6 C19 110.30(9) yes . .
C18 Si6 C20 107.88(11) yes . .
C19 Si6 C20 109.19(11) yes . .
Si5 Si7 C21 112.65(7) yes 1_655 .
Si5 Si7 C22 107.91(7) yes 1_655 .
Si5 Si7 C23 110.75(6) yes 1_655 .
C21 Si7 C22 108.26(8) yes . .
C21 Si7 C23 108.18(10) yes . .
C22 Si7 C23 109.01(10) yes . .
Si5 Si8 C24 109.59(6) yes 1_655 .
Si5 Si8 C25 108.55(6) yes 1_655 .
Si5 Si8 C26 112.50(7) yes 1_655 .
C24 Si8 C25 110.19(10) yes . .
C24 Si8 C26 107.27(11) yes . .
C25 Si8 C26 108.73(9) yes . .
S1 C1 Si1 122.25(8) yes . .
S1 C1 C2 110.35(12) yes . .
Si1 C1 C2 127.26(12) yes . .
C1 C2 C3 112.91(13) yes . .
S2 C3 C2 133.72(11) yes . .
S2 C3 C4 112.56(12) yes . .
C2 C3 C4 113.72(12) yes . .
S1 C4 C3 110.34(12) yes . .
S1 C4 C5 137.43(11) yes . .
C3 C4 C5 112.19(12) yes . .
S3 C5 C4 137.16(10) yes . .
S3 C5 C6 110.29(12) yes . .
C4 C5 C6 112.55(13) yes . .
S2 C6 C5 112.24(12) yes . .
S2 C6 C7 134.22(10) yes . .
C5 C6 C7 113.53(13) yes . .
C6 C7 C8 113.02(12) yes . .
S3 C8 Si5 121.29(8) yes . .
S3 C8 C7 110.31(12) yes . .
Si5 C8 C7 128.04(11) yes . .
C1 C2 H2 123.540 no . .
C3 C2 H2 123.549 no . .
C6 C7 H7 123.489 no . .
C8 C7 H7 123.492 no . .
Si2 C9 H9A 109.476 no . .
Si2 C9 H9B 109.473 no . .
Si2 C9 H9C 109.469 no . .
H9A C9 H9B 109.472 no . .
H9A C9 H9C 109.472 no . .
H9B C9 H9C 109.465 no . .
Si2 C10 H10A 109.467 no . .
Si2 C10 H10B 109.472 no . .
Si2 C10 H10C 109.474 no . .
H10A C10 H10B 109.473 no . .
H10A C10 H10C 109.468 no . .
H10B C10 H10C 109.473 no . .
Si2 C11 H11A 109.466 no . .
Si2 C11 H11B 109.468 no . .
Si2 C11 H11C 109.466 no . .
H11A C11 H11B 109.470 no . .
H11A C11 H11C 109.480 no . .
H11B C11 H11C 109.477 no . .
Si3 C12 H12A 109.476 no . .
Si3 C12 H12B 109.463 no . .
Si3 C12 H12C 109.472 no . .
H12A C12 H12B 109.464 no . .
H12A C12 H12C 109.479 no . .
H12B C12 H12C 109.474 no . .
Si3 C13 H13A 109.473 no . .
Si3 C13 H13B 109.471 no . .
Si3 C13 H13C 109.472 no . .
H13A C13 H13B 109.472 no . .
H13A C13 H13C 109.472 no . .
H13B C13 H13C 109.467 no . .
Si3 C14 H14A 109.466 no . .
Si3 C14 H14B 109.471 no . .
Si3 C14 H14C 109.467 no . .
H14A C14 H14B 109.472 no . .
H14A C14 H14C 109.475 no . .
H14B C14 H14C 109.476 no . .
Si4 C15 H15A 109.472 no . .
Si4 C15 H15B 109.472 no . .
Si4 C15 H15C 109.470 no . .
H15A C15 H15B 109.466 no . .
H15A C15 H15C 109.469 no . .
H15B C15 H15C 109.477 no . .
Si4 C16 H16A 109.474 no . .
Si4 C16 H16B 109.470 no . .
Si4 C16 H16C 109.478 no . .
H16A C16 H16B 109.463 no . .
H16A C16 H16C 109.474 no . .
H16B C16 H16C 109.468 no . .
Si4 C17 H17A 109.464 no . .
Si4 C17 H17B 109.472 no . .
Si4 C17 H17C 109.472 no . .
H17A C17 H17B 109.470 no . .
H17A C17 H17C 109.479 no . .
H17B C17 H17C 109.470 no . .
Si6 C18 H18A 109.471 no . .
Si6 C18 H18B 109.472 no . .
Si6 C18 H18C 109.472 no . .
H18A C18 H18B 109.471 no . .
H18A C18 H18C 109.467 no . .
H18B C18 H18C 109.474 no . .
Si6 C19 H19A 109.471 no . .
Si6 C19 H19B 109.471 no . .
Si6 C19 H19C 109.471 no . .
H19A C19 H19B 109.471 no . .
H19A C19 H19C 109.469 no . .
H19B C19 H19C 109.475 no . .
Si6 C20 H20A 109.471 no . .
Si6 C20 H20B 109.471 no . .
Si6 C20 H20C 109.468 no . .
H20A C20 H20B 109.472 no . .
H20A C20 H20C 109.471 no . .
H20B C20 H20C 109.474 no . .
Si7 C21 H21A 109.476 no . .
Si7 C21 H21B 109.473 no . .
Si7 C21 H21C 109.470 no . .
H21A C21 H21B 109.468 no . .
H21A C21 H21C 109.475 no . .
H21B C21 H21C 109.464 no . .
Si7 C22 H22A 109.471 no . .
Si7 C22 H22B 109.467 no . .
Si7 C22 H22C 109.475 no . .
H22A C22 H22B 109.471 no . .
H22A C22 H22C 109.473 no . .
H22B C22 H22C 109.470 no . .
Si7 C23 H23A 109.469 no . .
Si7 C23 H23B 109.470 no . .
Si7 C23 H23C 109.476 no . .
H23A C23 H23B 109.473 no . .
H23A C23 H23C 109.468 no . .
H23B C23 H23C 109.471 no . .
Si8 C24 H24A 109.470 no . .
Si8 C24 H24B 109.474 no . .
Si8 C24 H24C 109.468 no . .
H24A C24 H24B 109.476 no . .
H24A C24 H24C 109.470 no . .
H24B C24 H24C 109.470 no . .
Si8 C25 H25A 109.465 no . .
Si8 C25 H25B 109.473 no . .
Si8 C25 H25C 109.470 no . .
H25A C25 H25B 109.464 no . .
H25A C25 H25C 109.472 no . .
H25B C25 H25C 109.482 no . .
Si8 C26 H26A 109.471 no . .
Si8 C26 H26B 109.471 no . .
Si8 C26 H26C 109.473 no . .
H26A C26 H26B 109.468 no . .
H26A C26 H26C 109.475 no . .
H26B C26 H26C 109.470 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
S1 C1 1.7465(16) yes .
S1 C4 1.7209(14) yes .
S2 C3 1.7454(15) yes .
S2 C6 1.7444(16) yes .
S3 C5 1.7175(16) yes .
S3 C8 1.7460(14) yes .
Si1 Si2 2.3658(7) yes 1_655
Si1 Si3 2.3501(8) yes 1_655
Si1 Si4 2.3571(6) yes 1_655
Si1 C1 1.8893(16) yes .
Si2 C9 1.870(3) yes .
Si2 C10 1.869(3) yes .
Si2 C11 1.8721(18) yes .
Si3 C12 1.875(2) yes .
Si3 C13 1.873(3) yes .
Si3 C14 1.8783(17) yes .
Si4 C15 1.858(3) yes .
Si4 C16 1.863(4) yes .
Si4 C17 1.874(3) yes .
Si5 Si6 2.3475(7) yes 1_455
Si5 Si7 2.3596(8) yes 1_455
Si5 Si8 2.3448(6) yes 1_455
Si5 C8 1.8899(16) yes .
Si6 C18 1.8657(18) yes .
Si6 C19 1.866(3) yes .
Si6 C20 1.874(2) yes .
Si7 C21 1.8771(18) yes .
Si7 C22 1.874(3) yes .
Si7 C23 1.877(3) yes .
Si8 C24 1.874(3) yes .
Si8 C25 1.8709(19) yes .
Si8 C26 1.868(3) yes .
C1 C2 1.3751(19) yes .
C2 C3 1.416(3) yes .
C3 C4 1.384(2) yes .
C4 C5 1.423(3) yes .
C5 C6 1.3873(18) yes .
C6 C7 1.419(3) yes .
C7 C8 1.372(2) yes .
C2 H2 0.950 no .
C7 H7 0.950 no .
C9 H9A 0.980 no .
C9 H9B 0.980 no .
C9 H9C 0.980 no .
C10 H10A 0.980 no .
C10 H10B 0.980 no .
C10 H10C 0.980 no .
C11 H11A 0.980 no .
C11 H11B 0.980 no .
C11 H11C 0.980 no .
C12 H12A 0.980 no .
C12 H12B 0.980 no .
C12 H12C 0.980 no .
C13 H13A 0.980 no .
C13 H13B 0.980 no .
C13 H13C 0.980 no .
C14 H14A 0.980 no .
C14 H14B 0.980 no .
C14 H14C 0.980 no .
C15 H15A 0.980 no .
C15 H15B 0.980 no .
C15 H15C 0.980 no .
C16 H16A 0.980 no .
C16 H16B 0.980 no .
C16 H16C 0.980 no .
C17 H17A 0.980 no .
C17 H17B 0.980 no .
C17 H17C 0.980 no .
C18 H18A 0.980 no .
C18 H18B 0.980 no .
C18 H18C 0.980 no .
C19 H19A 0.980 no .
C19 H19B 0.980 no .
C19 H19C 0.980 no .
C20 H20A 0.980 no .
C20 H20B 0.980 no .
C20 H20C 0.980 no .
C21 H21A 0.980 no .
C21 H21B 0.980 no .
C21 H21C 0.980 no .
C22 H22A 0.980 no .
C22 H22B 0.980 no .
C22 H22C 0.980 no .
C23 H23A 0.980 no .
C23 H23B 0.980 no .
C23 H23C 0.980 no .
C24 H24A 0.980 no .
C24 H24B 0.980 no .
C24 H24C 0.980 no .
C25 H25A 0.980 no .
C25 H25B 0.980 no .
C25 H25C 0.980 no .
C26 H26A 0.980 no .
C26 H26B 0.980 no .
C26 H26C 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
S3 C21 3.490(2) no 1_455
S1 H2 3.4912 no .
S1 H9B 3.4483 no .
S1 H10A 3.4154 no .
S1 H15B 3.5262 no 1_655
S1 H17A 2.9570 no 1_655
S1 H18A 2.9732 no .
S1 H22A 3.5041 no 2_765
S1 H23B 3.2575 no 2_765
S2 H2 3.1826 no .
S2 H2 3.3042 no 2_766
S2 H7 3.1926 no .
S2 H11B 3.3652 no .
S2 H11C 3.2326 no 2_666
S2 H14B 3.5448 no 2_666
S2 H20A 3.3836 no 2_766
S2 H20B 3.1316 no .
S2 H20B 3.5024 no 2_766
S3 H7 3.4880 no .
S3 H9B 3.3861 no .
S3 H18B 3.3834 no 1_455
S3 H19A 3.4763 no .
S3 H21A 2.7957 no 1_455
S3 H21B 3.3174 no 2_765
S3 H23B 3.4408 no 2_765
Si1 H2 3.1272 no .
Si1 H9C 3.5807 no 1_655
Si1 H10C 3.5619 no 1_655
Si1 H11A 3.5625 no 1_655
Si1 H11C 3.5271 no 1_655
Si1 H12C 3.5992 no 1_655
Si1 H13B 3.5552 no 1_655
Si1 H13C 3.5220 no 1_655
Si1 H15C 3.5748 no 1_655
Si1 H16B 3.5251 no 1_655
Si1 H16C 3.5118 no 1_655
Si3 H2 3.3316 no 1_455
Si5 H7 3.1421 no .
Si5 H18B 3.4466 no 1_455
Si5 H18C 3.4924 no 1_455
Si5 H20A 3.5155 no 1_455
Si5 H20C 3.5858 no 1_455
Si5 H22B 3.5228 no 1_455
Si5 H22C 3.5147 no 1_455
Si5 H23A 3.5813 no 1_455
Si5 H24B 3.5774 no 1_455
Si5 H24C 3.5268 no 1_455
Si5 H25A 3.5450 no 1_455
Si5 H25C 3.4996 no 1_455
Si7 H24C 3.5312 no .
Si8 H7 3.5187 no 1_655
Si8 H23A 3.5542 no .
C1 H10A 3.5304 no .
C1 H11A 3.3248 no 1_655
C1 H13C 3.3570 no 1_655
C1 H18A 3.5094 no .
C2 H11A 3.2665 no 1_655
C2 H13C 3.3004 no 1_655
C2 H14B 3.0909 no 1_655
C2 H18A 3.5930 no .
C2 H20B 3.4589 no 2_766
C3 H11B 3.3307 no .
C3 H18A 3.1939 no .
C3 H20B 3.4703 no .
C4 H2 3.2370 no .
C4 H9B 3.4786 no .
C4 H11B 3.1538 no .
C4 H18A 2.7470 no .
C5 H7 3.2396 no .
C5 H9B 3.4694 no .
C5 H11B 2.9898 no .
C5 H18A 3.1898 no .
C5 H19A 3.3516 no .
C6 H11B 3.0461 no .
C6 H19A 3.2543 no .
C7 H14B 3.5835 no 2_666
C7 H14C 3.3662 no 2_666
C7 H19A 3.2529 no .
C7 H20A 3.0507 no 1_455
C7 H25A 3.4217 no 1_455
C7 H26C 3.3759 no 1_455
C8 H18B 3.2998 no 1_455
C8 H19A 3.3381 no .
C8 H20A 3.3119 no 1_455
C8 H25A 3.4286 no 1_455
C9 H10A 3.2001 no .
C9 H10B 3.1949 no .
C9 H11A 3.2037 no .
C9 H11B 3.2113 no .
C9 H17C 3.1517 no .
C9 H18B 3.3850 no 1_455
C10 H9A 3.1930 no .
C10 H9B 3.2026 no .
C10 H11B 3.1603 no .
C10 H11C 3.1897 no .
C10 H12C 3.2267 no .
C10 H13C 3.5269 no 1_655
C10 H15B 3.2485 no 1_655
C10 H24A 3.2494 no 1_445
C11 H2 3.5809 no 1_455
C11 H9B 3.1868 no .
C11 H9C 3.2280 no .
C11 H10A 3.1625 no .
C11 H10C 3.1864 no .
C11 H14C 3.4811 no .
C11 H18B 3.3033 no 1_455
C12 H10C 3.3950 no .
C12 H12B 3.5120 no 2_556
C12 H13A 3.2242 no .
C12 H13A 3.4832 no 2_556
C12 H13B 3.2353 no .
C12 H14A 3.1297 no .
C12 H14C 3.1553 no .
C12 H16B 3.0954 no .
C12 H24B 3.3024 no 1_445
C12 H25B 3.1455 no 1_345
C13 H12A 3.2344 no .
C13 H12B 3.2256 no .
C13 H12B 3.4843 no 2_556
C13 H14A 3.1950 no .
C13 H14B 3.1937 no .
C13 H15C 3.2793 no .
C13 H25B 3.0361 no 1_345
C13 H26A 3.0872 no 2_666
C14 H2 3.0064 no 1_455
C14 H7 3.2017 no 2_666
C14 H11C 3.2584 no .
C14 H12B 3.1252 no .
C14 H12C 3.1584 no .
C14 H13A 3.1675 no .
C14 H13C 3.2197 no .
C14 H25A 3.1279 no 2_766
C14 H26C 3.2763 no 2_766
C15 H10B 3.5015 no 1_455
C15 H13B 3.2246 no .
C15 H16A 3.1628 no .
C15 H16B 3.1679 no .
C15 H17A 3.1278 no .
C15 H17B 3.1256 no .
C15 H17B 3.4627 no 2_455
C15 H24A 3.4185 no 1_345
C15 H24C 3.3916 no 1_345
C16 H12A 3.1935 no .
C16 H15A 3.1511 no .
C16 H15C 3.1779 no .
C16 H17B 3.2068 no .
C16 H17B 3.5820 no 2_555
C16 H17C 3.2482 no .
C16 H17C 3.1755 no 2_555
C17 H9A 3.3913 no .
C17 H15A 3.1256 no .
C17 H15A 3.4733 no 2_455
C17 H15B 3.1211 no .
C17 H16A 3.1963 no .
C17 H16A 3.5692 no 2_555
C17 H16C 3.2550 no .
C17 H16C 3.1837 no 2_555
C17 H22A 3.5004 no 2_665
C17 H22B 3.2780 no 2_665
C18 H9C 3.3253 no 1_655
C18 H11A 3.2584 no 1_655
C18 H19A 3.2231 no .
C18 H19B 3.2161 no .
C18 H20A 3.1690 no .
C18 H20B 3.1740 no .
C18 H21B 3.1674 no 2_765
C18 H21C 3.3522 no .
C18 H22A 3.2604 no 2_765
C19 H18A 3.2134 no .
C19 H18C 3.2256 no .
C19 H20B 3.1983 no .
C19 H20C 3.2048 no .
C19 H21B 3.4909 no 2_765
C19 H22C 3.2802 no .
C19 H25A 3.1839 no 1_455
C20 H2 3.3292 no 2_766
C20 H7 3.4691 no 1_655
C20 H14B 3.4007 no 2_666
C20 H18A 3.1696 no .
C20 H18B 3.1699 no .
C20 H19A 3.1840 no .
C20 H19C 3.2160 no .
C20 H26A 3.3976 no .
C21 H18C 3.3913 no .
C21 H18C 3.1428 no 2_765
C21 H19B 3.4541 no 2_765
C21 H21A 3.5477 no 2_865
C21 H22A 3.1669 no .
C21 H22C 3.2084 no .
C21 H22C 3.3381 no 2_765
C21 H23B 3.1710 no .
C21 H23C 3.2068 no .
C21 H23C 3.5011 no 2_865
C22 H9C 3.5695 no 2_665
C22 H17A 3.3710 no 2_665
C22 H17C 3.4627 no 2_665
C22 H18C 3.2584 no 2_765
C22 H19B 3.2493 no .
C22 H21B 3.1737 no .
C22 H21C 3.2028 no .
C22 H21C 3.3254 no 2_765
C22 H23A 3.2070 no .
C22 H23B 3.2039 no .
C22 H24C 3.2384 no .
C23 H21A 3.1897 no .
C23 H21A 3.4853 no 2_865
C23 H21B 3.1876 no .
C23 H22A 3.2056 no .
C23 H22B 3.2038 no .
C23 H24C 3.5440 no .
C23 H25C 3.0319 no .
C24 H10B 3.3569 no 1_665
C24 H12C 3.3277 no 1_665
C24 H15C 3.1816 no 1_765
C24 H22B 3.0793 no .
C24 H23A 3.5476 no .
C24 H25B 3.2075 no .
C24 H25C 3.2468 no .
C24 H26A 3.1512 no .
C24 H26B 3.1652 no .
C25 H12A 3.1544 no 1_765
C25 H13B 3.2511 no 1_765
C25 H14A 3.1072 no 2_766
C25 H15C 3.2100 no 1_765
C25 H19A 3.5926 no 1_655
C25 H19C 3.4439 no 1_655
C25 H23A 3.2627 no .
C25 H24A 3.2102 no .
C25 H24C 3.2452 no .
C25 H26B 3.1758 no .
C25 H26C 3.2029 no .
C26 H7 3.3185 no 1_655
C26 H13A 3.2619 no 2_666
C26 H13C 3.4550 no 2_666
C26 H14C 3.3695 no 2_766
C26 H20C 3.1736 no .
C26 H24A 3.1634 no .
C26 H24B 3.1556 no .
C26 H25A 3.1905 no .
C26 H25B 3.1889 no .
H2 H11A 3.2439 no 1_655
H2 H11C 3.1916 no 1_655
H2 H13C 3.1190 no 1_655
H2 H14B 2.2275 no 1_655
H2 H14C 3.4024 no 1_655
H2 H20B 2.7516 no 2_766
H2 H20C 3.1236 no 2_766
H7 H11C 3.1148 no 2_666
H7 H14A 3.3454 no 2_666
H7 H14B 3.1706 no 2_666
H7 H14C 2.6034 no 2_666
H7 H20A 2.8329 no 1_455
H7 H20C 3.4311 no 1_455
H7 H25A 3.2273 no 1_455
H7 H26C 2.5532 no 1_455
H9A H10A 3.4340 no .
H9A H10B 3.0341 no .
H9A H16A 2.7891 no 2_555
H9A H16C 3.3758 no .
H9A H17C 2.5308 no .
H9B H10A 3.0497 no .
H9B H10B 3.4403 no .
H9B H11A 3.4129 no .
H9B H11B 3.0365 no .
H9B H18B 3.5255 no 1_455
H9B H23B 3.1860 no 2_765
H9C H11A 3.0719 no .
H9C H11B 3.4820 no .
H9C H17C 3.0003 no .
H9C H18A 3.5128 no 1_455
H9C H18B 2.6392 no 1_455
H9C H18C 3.3521 no 1_455
H9C H22A 2.8696 no 2_665
H9C H22C 3.5948 no 2_665
H10A H11B 2.9846 no .
H10A H11C 3.4150 no .
H10A H13B 3.3740 no 1_655
H10A H13C 2.9855 no 1_655
H10A H15B 2.8165 no 1_655
H10A H15C 3.5664 no 1_655
H10A H24A 3.5807 no 1_445
H10B H12C 3.1049 no .
H10B H15B 2.7828 no 1_655
H10B H15C 3.4072 no 1_655
H10B H16C 2.9143 no .
H10B H24A 2.6353 no 1_445
H10B H24B 3.5210 no 1_445
H10B H24C 3.4497 no 1_445
H10C H11B 3.4072 no .
H10C H11C 3.0405 no .
H10C H12C 2.5734 no .
H10C H13B 3.5544 no 1_655
H10C H13C 3.2213 no 1_655
H10C H14C 2.8952 no .
H10C H24A 3.0890 no 1_445
H10C H26C 3.1914 no 2_766
H11A H18A 3.2535 no 1_455
H11A H18B 2.5018 no 1_455
H11A H20A 3.0032 no 1_455
H11B H18B 3.4971 no 1_455
H11C H14B 3.1078 no .
H11C H14C 2.6499 no .
H12A H13A 3.4704 no .
H12A H13B 3.0918 no .
H12A H15C 3.5858 no .
H12A H16B 2.3136 no .
H12A H16C 3.5277 no .
H12A H19C 3.5094 no 1_445
H12A H24B 2.9827 no 1_445
H12A H25A 3.2399 no 1_345
H12A H25B 2.4877 no 1_345
H12A H25C 3.2731 no 1_345
H12B H12B 2.6718 no 2_556
H12B H13A 3.0709 no .
H12B H13A 2.6347 no 2_556
H12B H13B 3.4738 no .
H12B H14A 2.9387 no .
H12B H14A 3.1702 no 2_556
H12B H14C 3.3678 no .
H12B H25B 3.1930 no 1_345
H12C H13A 3.5524 no 2_556
H12C H14A 3.3784 no .
H12C H14C 3.0003 no .
H12C H16B 3.2157 no .
H12C H24A 2.9588 no 1_445
H12C H24B 2.8019 no 1_445
H12C H26B 3.4789 no 2_766
H13A H14A 3.0092 no .
H13A H14B 3.3933 no .
H13A H25B 3.0827 no 1_345
H13A H26A 2.5125 no 2_666
H13A H26B 3.1997 no 1_345
H13A H26B 3.2196 no 2_666
H13B H15B 3.3689 no .
H13B H15C 2.4194 no .
H13B H24A 2.8299 no 1_345
H13B H25B 2.3487 no 1_345
H13B H26B 3.3878 no 1_345
H13C H14A 3.4688 no .
H13C H14B 3.0625 no .
H13C H20C 2.9646 no 2_666
H13C H26A 2.7952 no 2_666
H13C H26C 3.4322 no 2_666
H14A H19A 3.4577 no 2_666
H14A H19C 3.1889 no 2_666
H14A H25A 2.3160 no 2_766
H14A H25B 3.1256 no 2_766
H14A H26C 3.2099 no 2_766
H14B H19A 3.5194 no 2_666
H14B H20B 2.9144 no 2_666
H14B H20C 3.0194 no 2_666
H14B H25A 3.4975 no 2_766
H14C H25A 3.2103 no 2_766
H14C H26B 3.5230 no 2_766
H14C H26C 2.5021 no 2_766
H15A H15A 3.5558 no 2_455
H15A H16A 2.9867 no .
H15A H16B 3.3878 no .
H15A H17A 3.3617 no .
H15A H17A 3.2070 no 2_455
H15A H17B 2.9522 no .
H15A H17B 2.8613 no 2_455
H15A H23A 3.0861 no 1_345
H15A H24C 3.1599 no 1_345
H15B H17A 2.9499 no .
H15B H17B 3.3523 no .
H15B H17B 3.1994 no 2_455
H15B H24A 3.4190 no 1_345
H15B H24C 3.5894 no 1_345
H15C H16A 3.4183 no .
H15C H16B 3.0201 no .
H15C H23A 3.5313 no 1_345
H15C H24A 2.7231 no 1_345
H15C H24C 2.9099 no 1_345
H15C H25B 2.7513 no 1_345
H15C H25C 2.9458 no 1_345
H16A H17B 3.0269 no .
H16A H17B 3.5740 no 2_555
H16A H17C 3.4578 no .
H16A H17C 2.7385 no 2_555
H16B H24B 3.0887 no 1_445
H16B H25B 3.4117 no 1_345
H16B H25C 3.2151 no 1_345
H16C H17B 3.4822 no .
H16C H17B 2.7541 no 2_555
H16C H17C 3.1321 no .
H16C H17C 2.7242 no 2_555
H16C H24B 3.4397 no 1_445
H16C H24C 3.5170 no 1_445
H17A H22A 2.9603 no 2_665
H17A H22B 2.9402 no 2_665
H17A H23A 3.3791 no 2_665
H17A H23B 3.3874 no 2_665
H17B H22B 3.4928 no 2_665
H17B H24C 3.3485 no 2_665
H17C H22A 3.1306 no 2_665
H17C H22B 2.8984 no 2_665
H18A H19A 3.0682 no .
H18A H19B 3.4492 no .
H18A H20A 3.4031 no .
H18A H20B 3.0100 no .
H18A H21B 3.0628 no 2_765
H18A H22A 3.2377 no 2_765
H18B H20A 3.0051 no .
H18B H20B 3.4105 no .
H18B H21C 3.4446 no .
H18B H22A 3.4064 no 2_765
H18C H19A 3.4764 no .
H18C H19B 3.0737 no .
H18C H21B 2.5173 no 2_765
H18C H21C 2.5540 no .
H18C H21C 3.0435 no 2_765
H18C H22A 2.6473 no 2_765
H18C H22C 3.5169 no .
H18C H22C 3.1759 no 2_765
H19A H20B 3.0256 no .
H19A H20C 3.4225 no .
H19A H21B 3.4161 no 2_765
H19A H25A 2.8177 no 1_455
H19A H25C 3.5085 no 1_455
H19B H21B 2.8996 no 2_765
H19B H21C 3.2847 no 2_765
H19B H22B 3.3384 no .
H19B H22C 2.4465 no .
H19B H23C 3.4054 no 1_455
H19B H25A 3.5144 no 1_455
H19B H25C 3.5632 no 1_455
H19C H20B 3.4585 no .
H19C H20C 3.0661 no .
H19C H24B 3.0310 no .
H19C H25A 2.7675 no 1_455
H19C H25C 3.3353 no 1_455
H19C H26A 3.4709 no .
H20C H26A 2.5485 no .
H20C H26C 3.0414 no .
H21A H21A 2.8241 no 2_865
H21A H21B 3.5706 no 2_865
H21A H23B 3.4012 no .
H21A H23B 3.4749 no 2_865
H21A H23C 3.0483 no .
H21A H23C 2.7708 no 2_865
H21B H22A 2.9909 no .
H21B H22C 3.4333 no .
H21B H22C 3.4087 no 2_765
H21B H23B 3.0085 no .
H21B H23C 3.4486 no .
H21B H23C 3.5230 no 2_865
H21C H21C 3.0291 no 2_765
H21C H22A 3.4158 no .
H21C H22A 3.3737 no 2_765
H21C H22C 3.0649 no .
H21C H22C 2.5398 no 2_765
H22A H23A 3.4472 no .
H22A H23B 3.0486 no .
H22B H23A 3.0499 no .
H22B H23B 3.4403 no .
H22B H24B 2.9939 no .
H22B H24C 2.4051 no .
H23A H24C 2.8032 no .
H23A H25C 2.4267 no .
H23C H25C 2.8749 no .
H24A H25B 3.0399 no .
H24A H25C 3.4729 no .
H24A H26A 3.3889 no .
H24A H26B 3.0037 no .
H24B H26A 2.9807 no .
H24B H26B 3.3976 no .
H24C H25B 3.4666 no .
H24C H25C 3.1179 no .
H25A H26B 3.4100 no .
H25A H26C 3.0468 no .
H25B H26B 3.0167 no .
H25B H26C 3.4459 no .
H26B H26B 2.9368 no 2_876
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 S1 C4 C3 -0.88(10) no . . .
C1 S1 C4 C5 176.85(15) no . . .
C4 S1 C1 Si1 -175.25(10) no . . .
C4 S1 C1 C2 0.76(10) no . . .
C3 S2 C6 C5 0.97(11) no . . .
C3 S2 C6 C7 179.82(14) no . . .
C6 S2 C3 C2 177.30(15) no . . .
C6 S2 C3 C4 -1.35(11) no . . .
C5 S3 C8 Si5 -173.52(10) no . . .
C5 S3 C8 C7 0.15(10) no . . .
C8 S3 C5 C4 179.43(15) no . . .
C8 S3 C5 C6 -0.25(10) no . . .
Si2 Si1 Si3 C12 -71.28(3) no 1_655 1_655 1_655
Si2 Si1 Si3 C13 166.85(2) no 1_655 1_655 1_655
Si2 Si1 Si3 C14 47.17(4) no 1_655 1_655 1_655
Si3 Si1 Si2 C9 165.23(3) no 1_655 1_655 1_655
Si3 Si1 Si2 C10 44.07(3) no 1_655 1_655 1_655
Si3 Si1 Si2 C11 -74.29(4) no 1_655 1_655 1_655
Si2 Si1 Si4 C15 -178.92(3) no 1_655 1_655 1_655
Si2 Si1 Si4 C16 62.06(4) no 1_655 1_655 1_655
Si2 Si1 Si4 C17 -60.02(4) no 1_655 1_655 1_655
Si4 Si1 Si2 C9 40.80(4) no 1_655 1_655 1_655
Si4 Si1 Si2 C10 -80.36(4) no 1_655 1_655 1_655
Si4 Si1 Si2 C11 161.28(3) no 1_655 1_655 1_655
Si2 Si1 C1 S1 97.30(9) no 1_655 . .
Si2 Si1 C1 C2 -78.00(13) no 1_655 . .
C1 Si1 Si2 C9 -81.00(5) no . 1_655 1_655
C1 Si1 Si2 C10 157.84(5) no . 1_655 1_655
C1 Si1 Si2 C11 39.48(6) no . 1_655 1_655
Si3 Si1 Si4 C15 56.46(4) no 1_655 1_655 1_655
Si3 Si1 Si4 C16 -62.56(4) no 1_655 1_655 1_655
Si3 Si1 Si4 C17 175.35(3) no 1_655 1_655 1_655
Si4 Si1 Si3 C12 54.97(3) no 1_655 1_655 1_655
Si4 Si1 Si3 C13 -66.90(3) no 1_655 1_655 1_655
Si4 Si1 Si3 C14 173.42(3) no 1_655 1_655 1_655
Si3 Si1 C1 S1 -145.26(8) no 1_655 . .
Si3 Si1 C1 C2 39.44(13) no 1_655 . .
C1 Si1 Si3 C12 174.01(4) no . 1_655 1_655
C1 Si1 Si3 C13 52.13(5) no . 1_655 1_655
C1 Si1 Si3 C14 -67.55(5) no . 1_655 1_655
Si4 Si1 C1 S1 -26.39(11) no 1_655 . .
Si4 Si1 C1 C2 158.31(10) no 1_655 . .
C1 Si1 Si4 C15 -59.27(7) no . 1_655 1_655
C1 Si1 Si4 C16 -178.29(6) no . 1_655 1_655
C1 Si1 Si4 C17 59.62(6) no . 1_655 1_655
Si6 Si5 Si7 C21 -67.24(3) no 1_455 1_455 1_455
Si6 Si5 Si7 C22 52.21(3) no 1_455 1_455 1_455
Si6 Si5 Si7 C23 171.46(3) no 1_455 1_455 1_455
Si7 Si5 Si6 C18 58.97(3) no 1_455 1_455 1_455
Si7 Si5 Si6 C19 -62.52(3) no 1_455 1_455 1_455
Si7 Si5 Si6 C20 175.41(3) no 1_455 1_455 1_455
Si6 Si5 Si8 C24 -78.40(4) no 1_455 1_455 1_455
Si6 Si5 Si8 C25 161.22(3) no 1_455 1_455 1_455
Si6 Si5 Si8 C26 40.85(4) no 1_455 1_455 1_455
Si8 Si5 Si6 C18 -177.33(3) no 1_455 1_455 1_455
Si8 Si5 Si6 C19 61.18(3) no 1_455 1_455 1_455
Si8 Si5 Si6 C20 -60.89(4) no 1_455 1_455 1_455
Si6 Si5 C8 S3 96.52(9) no 1_455 . .
Si6 Si5 C8 C7 -75.94(12) no 1_455 . .
C8 Si5 Si6 C18 -60.85(5) no . 1_455 1_455
C8 Si5 Si6 C19 177.67(4) no . 1_455 1_455
C8 Si5 Si6 C20 55.60(5) no . 1_455 1_455
Si7 Si5 Si8 C24 47.96(3) no 1_455 1_455 1_455
Si7 Si5 Si8 C25 -72.42(3) no 1_455 1_455 1_455
Si7 Si5 Si8 C26 167.21(3) no 1_455 1_455 1_455
Si8 Si5 Si7 C21 165.74(3) no 1_455 1_455 1_455
Si8 Si5 Si7 C22 -74.81(3) no 1_455 1_455 1_455
Si8 Si5 Si7 C23 44.44(3) no 1_455 1_455 1_455
Si7 Si5 C8 S3 -24.33(11) no 1_455 . .
Si7 Si5 C8 C7 163.21(10) no 1_455 . .
C8 Si5 Si7 C21 47.08(6) no . 1_455 1_455
C8 Si5 Si7 C22 166.53(5) no . 1_455 1_455
C8 Si5 Si7 C23 -74.22(6) no . 1_455 1_455
Si8 Si5 C8 S3 -142.83(8) no 1_455 . .
Si8 Si5 C8 C7 44.71(13) no 1_455 . .
C8 Si5 Si8 C24 168.68(6) no . 1_455 1_455
C8 Si5 Si8 C25 48.29(6) no . 1_455 1_455
C8 Si5 Si8 C26 -72.08(6) no . 1_455 1_455
S1 C1 C2 C3 -0.44(16) no . . .
Si1 C1 C2 C3 175.32(10) no . . .
C1 C2 C3 S2 -178.86(13) no . . .
C1 C2 C3 C4 -0.22(19) no . . .
S2 C3 C4 S1 179.72(8) no . . .
S2 C3 C4 C5 1.39(16) no . . .
C2 C3 C4 S1 0.79(18) no . . .
C2 C3 C4 C5 -177.55(12) no . . .
S1 C4 C5 S3 2.0(3) no . . .
S1 C4 C5 C6 -178.35(12) no . . .
C3 C4 C5 S3 179.68(14) no . . .
C3 C4 C5 C6 -0.65(18) no . . .
S3 C5 C6 S2 179.39(8) no . . .
S3 C5 C6 C7 0.28(16) no . . .
C4 C5 C6 S2 -0.37(17) no . . .
C4 C5 C6 C7 -179.48(12) no . . .
S2 C6 C7 C8 -179.01(11) no . . .
C5 C6 C7 C8 -0.17(19) no . . .
C6 C7 C8 S3 -0.02(17) no . . .
C6 C7 C8 Si5 173.11(12) no . . .
