#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:06:21 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178680 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/91/4079178.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_4079178
loop_
_publ_author_name
'Tanabe, Makoto'
'Yumoto, Ryouhei'
'Osakada, Kohtaro'
'Sanji, Takanobu'
'Tanaka, Masato'
_publ_section_title
;
 Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A
 Fluorescent Disilane Accommodated in the Crystal Lattice
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              6787
_journal_paper_doi               10.1021/om300551t
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C56 H38 F12 Si2'
_chemical_formula_sum            'C56 H38 F12 Si2'
_chemical_formula_weight         995.07
_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                70.922(7)
_cell_angle_beta                 77.663(7)
_cell_angle_gamma                66.104(6)
_cell_formula_units_Z            2
_cell_length_a                   10.1977(12)
_cell_length_b                   15.0821(17)
_cell_length_c                   18.091(3)
_cell_measurement_reflns_used    7373
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.07
_cell_volume                     2393.6(6)
_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    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19556
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1020.00
_exptl_crystal_size_max          0.780
_exptl_crystal_size_mid          0.620
_exptl_crystal_size_min          0.560
_refine_diff_density_max         3.100
_refine_diff_density_min         -0.970
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     631
_refine_ls_number_reflns         10540
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1114
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2038
_refine_ls_wR_factor_ref         0.2225
_reflns_number_gt                5092
_reflns_number_total             10540
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om300551t_si_001.cif
_cod_data_source_block           compound4e
_cod_original_cell_volume        2393.5(5)
_cod_database_code               4079178
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
Si1 Si 0.48463(11) 0.47282(8) 0.44927(6) 0.0217(3) Uani 1.0 2 d .
Si2 Si 0.55614(10) 0.03517(7) 0.93977(6) 0.0139(3) Uani 1.0 2 d .
F1 F 0.8875(6) 0.0348(3) 0.2621(3) 0.1180(19) Uani 1.0 2 d .
F2 F 0.7148(4) 0.0050(3) 0.3435(3) 0.0820(13) Uani 1.0 2 d .
F3 F 0.9210(5) -0.0424(3) 0.3789(3) 0.1049(16) Uani 1.0 2 d .
F4 F 1.2986(3) 0.40165(19) 0.11493(15) 0.0423(7) Uani 1.0 2 d .
F5 F 1.2930(3) 0.53155(19) 0.14000(17) 0.0542(9) Uani 1.0 2 d .
F6 F 1.3988(3) 0.3851(3) 0.21260(16) 0.0641(10) Uani 1.0 2 d .
F7 F 0.6860(6) 0.0253(3) 0.52813(18) 0.1107(17) Uani 1.0 2 d .
F8 F 0.5938(4) -0.0849(4) 0.56960(19) 0.0984(15) Uani 1.0 2 d .
F9 F 0.8186(4) -0.1291(3) 0.55434(18) 0.0835(12) Uani 1.0 2 d .
F10 F 1.3604(3) -0.4741(2) 0.83041(15) 0.0490(8) Uani 1.0 2 d .
F11 F 1.4104(3) -0.48442(17) 0.94184(15) 0.0373(6) Uani 1.0 2 d .
F12 F 1.2922(3) -0.56972(16) 0.93567(19) 0.0536(9) Uani 1.0 2 d .
C1 C 0.6692(4) 0.4167(3) 0.3971(3) 0.0245(9) Uani 1.0 2 d .
C2 C 0.7543(4) 0.4715(3) 0.3750(3) 0.0262(9) Uani 1.0 2 d .
C3 C 0.7110(4) 0.3162(3) 0.3823(3) 0.0240(9) Uani 1.0 2 d .
C4 C 0.8401(5) 0.2374(3) 0.4045(3) 0.0348(11) Uani 1.0 2 d .
C5 C 0.8747(5) 0.1458(4) 0.3901(3) 0.0440(13) Uani 1.0 2 d .
C6 C 0.7841(6) 0.1320(3) 0.3520(3) 0.0388(12) Uani 1.0 2 d .
C7 C 0.6543(5) 0.2094(3) 0.3303(3) 0.0331(11) Uani 1.0 2 d .
C8 C 0.6197(5) 0.3002(3) 0.3462(3) 0.0262(9) Uani 1.0 2 d .
C9 C 0.8236(7) 0.0349(4) 0.3322(4) 0.0607(18) Uani 1.0 2 d .
C10 C 0.8926(4) 0.4577(3) 0.3250(2) 0.0183(8) Uani 1.0 2 d .
C11 C 0.9332(4) 0.4072(3) 0.2671(3) 0.0247(9) Uani 1.0 2 d .
C12 C 1.0587(4) 0.4027(3) 0.2177(3) 0.0248(9) Uani 1.0 2 d .
C13 C 1.1457(4) 0.4484(3) 0.2256(2) 0.0188(8) Uani 1.0 2 d .
C14 C 1.1068(4) 0.5003(3) 0.2827(3) 0.0220(9) Uani 1.0 2 d .
C15 C 0.9818(4) 0.5041(3) 0.3322(2) 0.0195(8) Uani 1.0 2 d .
C16 C 1.2823(4) 0.4436(3) 0.1738(3) 0.0271(9) Uani 1.0 2 d .
C17 C 0.3658(4) 0.5847(3) 0.3769(3) 0.0253(9) Uani 1.0 2 d .
C18 C 0.4053(4) 0.6058(3) 0.2981(3) 0.0299(10) Uani 1.0 2 d .
C19 C 0.3170(5) 0.6841(4) 0.2443(3) 0.0338(11) Uani 1.0 2 d .
C20 C 0.1847(5) 0.7452(4) 0.2705(3) 0.0382(12) Uani 1.0 2 d .
C21 C 0.1429(5) 0.7276(4) 0.3494(3) 0.0437(13) Uani 1.0 2 d .
C22 C 0.2295(5) 0.6485(4) 0.4019(3) 0.0409(12) Uani 1.0 2 d .
C23 C 0.3970(5) 0.3762(3) 0.4942(3) 0.0253(9) Uani 1.0 2 d .
C24 C 0.4576(5) 0.2896(4) 0.5537(3) 0.0363(11) Uani 1.0 2 d .
C25 C 0.3891(5) 0.2202(4) 0.5890(3) 0.0390(12) Uani 1.0 2 d .
C26 C 0.2611(5) 0.2367(4) 0.5642(3) 0.0389(12) Uani 1.0 2 d .
C27 C 0.2000(6) 0.3234(4) 0.5054(3) 0.0465(13) Uani 1.0 2 d .
C28 C 0.2672(5) 0.3905(4) 0.4724(3) 0.0350(11) Uani 1.0 2 d .
C29 C 0.6971(4) -0.0705(3) 0.9003(2) 0.0155(8) Uani 1.0 2 d .
C30 C 0.7896(4) -0.1463(3) 0.9503(2) 0.0158(8) Uani 1.0 2 d .
C31 C 0.7034(4) -0.0682(3) 0.8168(2) 0.0165(8) Uani 1.0 2 d .
C32 C 0.7190(4) 0.0123(3) 0.7556(2) 0.0229(9) Uani 1.0 2 d .
C33 C 0.7202(5) 0.0144(3) 0.6777(3) 0.0291(10) Uani 1.0 2 d .
C34 C 0.7018(5) -0.0628(4) 0.6616(3) 0.0310(10) Uani 1.0 2 d .
C35 C 0.6847(5) -0.1425(3) 0.7215(3) 0.0322(10) Uani 1.0 2 d .
C36 C 0.6850(4) -0.1449(3) 0.7984(3) 0.0239(9) Uani 1.0 2 d .
C37 C 0.7009(6) -0.0620(5) 0.5783(3) 0.0489(14) Uani 1.0 2 d .
C38 C 0.9178(4) -0.2322(3) 0.9344(2) 0.0142(7) Uani 1.0 2 d .
C39 C 1.0140(4) -0.2223(3) 0.8680(2) 0.0174(8) Uani 1.0 2 d .
C40 C 1.1395(4) -0.3021(3) 0.8583(3) 0.0203(8) Uani 1.0 2 d .
C41 C 1.1682(4) -0.3943(3) 0.9141(2) 0.0169(8) Uani 1.0 2 d .
C42 C 1.0739(4) -0.4059(3) 0.9802(3) 0.0181(8) Uani 1.0 2 d .
C43 C 0.9490(4) -0.3244(3) 0.9912(2) 0.0175(8) Uani 1.0 2 d .
C44 C 1.3061(4) -0.4805(3) 0.9053(3) 0.0254(9) Uani 1.0 2 d .
C45 C 0.4138(4) 0.1142(3) 0.8701(2) 0.0155(8) Uani 1.0 2 d .
C46 C 0.3320(4) 0.0701(3) 0.8516(2) 0.0202(8) Uani 1.0 2 d .
C47 C 0.2157(4) 0.1279(3) 0.8060(3) 0.0273(9) Uani 1.0 2 d .
C48 C 0.1785(5) 0.2324(3) 0.7792(3) 0.0312(10) Uani 1.0 2 d .
C49 C 0.2587(5) 0.2767(3) 0.7956(3) 0.0306(10) Uani 1.0 2 d .
C50 C 0.3754(4) 0.2189(3) 0.8408(3) 0.0230(9) Uani 1.0 2 d .
C51 C 0.6461(4) 0.1135(3) 0.9557(2) 0.0147(7) Uani 1.0 2 d .
C52 C 0.7965(4) 0.0891(3) 0.9409(3) 0.0214(8) Uani 1.0 2 d .
C53 C 0.8610(4) 0.1467(3) 0.9549(3) 0.0278(9) Uani 1.0 2 d .
C54 C 0.7786(5) 0.2300(3) 0.9831(3) 0.0278(9) Uani 1.0 2 d .
C55 C 0.6317(5) 0.2537(3) 0.9988(3) 0.0270(9) Uani 1.0 2 d .
C56 C 0.5670(4) 0.1966(3) 0.9855(2) 0.0203(8) Uani 1.0 2 d .
H1 H 0.7195 0.5288 0.3948 0.0314 Uiso 1.0 2 calc R
H2 H 0.9044 0.2470 0.4295 0.0418 Uiso 1.0 2 calc R
H3 H 0.9613 0.0919 0.4067 0.0527 Uiso 1.0 2 calc R
H4 H 0.5905 0.1999 0.3049 0.0398 Uiso 1.0 2 calc R
H5 H 0.5308 0.3529 0.3319 0.0315 Uiso 1.0 2 calc R
H6 H 0.8741 0.3752 0.2613 0.0296 Uiso 1.0 2 calc R
H7 H 1.0847 0.3681 0.1783 0.0298 Uiso 1.0 2 calc R
H8 H 1.1657 0.5329 0.2876 0.0264 Uiso 1.0 2 calc R
H9 H 0.9562 0.5386 0.3717 0.0234 Uiso 1.0 2 calc R
H10 H 0.4971 0.5650 0.2794 0.0359 Uiso 1.0 2 calc R
H11 H 0.3473 0.6956 0.1897 0.0405 Uiso 1.0 2 calc R
H12 H 0.1231 0.7992 0.2342 0.0458 Uiso 1.0 2 calc R
H13 H 0.0529 0.7707 0.3678 0.0524 Uiso 1.0 2 calc R
H14 H 0.1973 0.6361 0.4563 0.0490 Uiso 1.0 2 calc R
H15 H 0.5468 0.2778 0.5704 0.0436 Uiso 1.0 2 calc R
H16 H 0.4309 0.1622 0.6298 0.0467 Uiso 1.0 2 calc R
H17 H 0.2145 0.1894 0.5868 0.0467 Uiso 1.0 2 calc R
H18 H 0.1108 0.3356 0.4884 0.0557 Uiso 1.0 2 calc R
H19 H 0.2230 0.4495 0.4329 0.0420 Uiso 1.0 2 calc R
H20 H 0.7691 -0.1439 1.0036 0.0189 Uiso 1.0 2 calc R
H21 H 0.7289 0.0664 0.7668 0.0275 Uiso 1.0 2 calc R
H22 H 0.7337 0.0688 0.6360 0.0349 Uiso 1.0 2 calc R
H23 H 0.6726 -0.1958 0.7100 0.0386 Uiso 1.0 2 calc R
H24 H 0.6725 -0.1999 0.8396 0.0286 Uiso 1.0 2 calc R
H25 H 0.9933 -0.1598 0.8287 0.0209 Uiso 1.0 2 calc R
H26 H 1.2059 -0.2937 0.8134 0.0243 Uiso 1.0 2 calc R
H27 H 1.0936 -0.4693 1.0183 0.0218 Uiso 1.0 2 calc R
H28 H 0.8854 -0.3319 1.0376 0.0210 Uiso 1.0 2 calc R
H29 H 0.3560 -0.0007 0.8705 0.0242 Uiso 1.0 2 calc R
H30 H 0.1626 0.0965 0.7933 0.0327 Uiso 1.0 2 calc R
H31 H 0.0978 0.2726 0.7496 0.0375 Uiso 1.0 2 calc R
H32 H 0.2346 0.3475 0.7761 0.0367 Uiso 1.0 2 calc R
H33 H 0.4295 0.2510 0.8519 0.0276 Uiso 1.0 2 calc R
H34 H 0.8543 0.0327 0.9211 0.0256 Uiso 1.0 2 calc R
H35 H 0.9625 0.1289 0.9451 0.0334 Uiso 1.0 2 calc R
H36 H 0.8227 0.2702 0.9914 0.0334 Uiso 1.0 2 calc R
H37 H 0.5746 0.3100 1.0189 0.0324 Uiso 1.0 2 calc R
H38 H 0.4657 0.2142 0.9970 0.0243 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)
;
F F 0.0171 0.0103
;
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
Si1 Si1 C1 108.18(17) yes 2_666
Si1 Si1 C17 109.38(17) yes 2_666
Si1 Si1 C23 108.58(15) yes 2_666
C1 Si1 C17 109.62(16) yes .
C1 Si1 C23 111.05(19) yes .
C17 Si1 C23 110.0(2) yes .
Si2 Si2 C29 108.71(11) yes 2_657
Si2 Si2 C45 107.85(12) yes 2_657
Si2 Si2 C51 110.00(12) yes 2_657
C29 Si2 C45 110.57(18) yes .
C29 Si2 C51 108.92(17) yes .
C45 Si2 C51 110.76(17) yes .
Si1 C1 C2 117.1(4) yes .
Si1 C1 C3 119.0(4) yes .
C2 C1 C3 123.9(4) yes .
C1 C2 C10 131.1(4) yes .
C1 C3 C4 122.0(5) yes .
C1 C3 C8 119.4(4) yes .
C4 C3 C8 118.6(5) yes .
C3 C4 C5 120.3(5) yes .
C4 C5 C6 120.3(4) yes .
C5 C6 C7 120.1(5) yes .
C5 C6 C9 121.0(5) yes .
C7 C6 C9 118.9(6) yes .
C6 C7 C8 119.0(6) yes .
C3 C8 C7 121.6(4) yes .
F1 C9 F2 110.0(7) yes .
F1 C9 F3 103.1(5) yes .
F1 C9 C6 113.7(5) yes .
F2 C9 F3 103.7(5) yes .
F2 C9 C6 113.5(5) yes .
F3 C9 C6 111.9(6) yes .
C2 C10 C11 123.0(5) yes .
C2 C10 C15 118.6(4) yes .
C11 C10 C15 118.2(4) yes .
C10 C11 C12 121.0(5) yes .
C11 C12 C13 120.2(5) yes .
C12 C13 C14 120.0(4) yes .
C12 C13 C16 121.2(4) yes .
C14 C13 C16 118.8(5) yes .
C13 C14 C15 119.6(5) yes .
C10 C15 C14 121.0(4) yes .
F4 C16 F5 106.1(4) yes .
F4 C16 F6 104.0(3) yes .
F4 C16 C13 112.7(5) yes .
F5 C16 F6 107.7(5) yes .
F5 C16 C13 113.5(3) yes .
F6 C16 C13 112.2(3) yes .
Si1 C17 C18 121.9(3) yes .
Si1 C17 C22 121.5(3) yes .
C18 C17 C22 116.5(4) yes .
C17 C18 C19 122.6(4) yes .
C18 C19 C20 119.5(4) yes .
C19 C20 C21 119.5(4) yes .
C20 C21 C22 120.5(4) yes .
C17 C22 C21 121.3(4) yes .
Si1 C23 C24 121.4(4) yes .
Si1 C23 C28 121.2(3) yes .
C24 C23 C28 117.3(5) yes .
C23 C24 C25 121.2(5) yes .
C24 C25 C26 119.4(4) yes .
C25 C26 C27 119.4(5) yes .
C26 C27 C28 120.3(6) yes .
C23 C28 C27 122.3(4) yes .
Si2 C29 C30 117.7(3) yes .
Si2 C29 C31 119.9(2) yes .
C30 C29 C31 122.5(3) yes .
C29 C30 C38 129.5(4) yes .
C29 C31 C32 121.5(4) yes .
C29 C31 C36 120.2(4) yes .
C32 C31 C36 118.2(4) yes .
C31 C32 C33 120.6(5) yes .
C32 C33 C34 119.6(4) yes .
C33 C34 C35 120.6(5) yes .
C33 C34 C37 120.8(4) yes .
C35 C34 C37 118.6(6) yes .
C34 C35 C36 119.7(5) yes .
C31 C36 C35 121.4(4) yes .
F7 C37 F8 105.4(5) yes .
F7 C37 F9 107.8(4) yes .
F7 C37 C34 113.3(6) yes .
F8 C37 F9 105.1(6) yes .
F8 C37 C34 112.4(4) yes .
F9 C37 C34 112.2(4) yes .
C30 C38 C39 122.4(3) yes .
C30 C38 C43 118.5(3) yes .
C39 C38 C43 118.9(3) yes .
C38 C39 C40 120.8(3) yes .
C39 C40 C41 120.0(4) yes .
C40 C41 C42 120.1(3) yes .
C40 C41 C44 120.4(3) yes .
C42 C41 C44 119.4(3) yes .
C41 C42 C43 119.9(3) yes .
C38 C43 C42 120.1(3) yes .
F10 C44 F11 105.1(4) yes .
F10 C44 F12 107.7(4) yes .
F10 C44 C41 112.7(3) yes .
F11 C44 F12 105.6(3) yes .
F11 C44 C41 112.2(4) yes .
F12 C44 C41 112.9(4) yes .
Si2 C45 C46 119.7(3) yes .
Si2 C45 C50 122.5(4) yes .
C46 C45 C50 117.5(4) yes .
C45 C46 C47 121.6(4) yes .
C46 C47 C48 119.3(5) yes .
C47 C48 C49 119.9(4) yes .
C48 C49 C50 120.8(4) yes .
C45 C50 C49 120.8(5) yes .
Si2 C51 C52 121.8(3) yes .
Si2 C51 C56 121.1(3) yes .
C52 C51 C56 117.1(5) yes .
C51 C52 C53 120.7(4) yes .
C52 C53 C54 120.6(4) yes .
C53 C54 C55 119.1(5) yes .
C54 C55 C56 120.6(4) yes .
C51 C56 C55 121.8(4) yes .
C1 C2 H1 114.463 no .
C10 C2 H1 114.465 no .
C3 C4 H2 119.827 no .
C5 C4 H2 119.839 no .
C4 C5 H3 119.868 no .
C6 C5 H3 119.861 no .
C6 C7 H4 120.483 no .
C8 C7 H4 120.476 no .
C3 C8 H5 119.206 no .
C7 C8 H5 119.219 no .
C10 C11 H6 119.501 no .
C12 C11 H6 119.497 no .
C11 C12 H7 119.917 no .
C13 C12 H7 119.918 no .
C13 C14 H8 120.190 no .
C15 C14 H8 120.182 no .
C10 C15 H9 119.512 no .
C14 C15 H9 119.517 no .
C17 C18 H10 118.712 no .
C19 C18 H10 118.707 no .
C18 C19 H11 120.247 no .
C20 C19 H11 120.246 no .
C19 C20 H12 120.267 no .
C21 C20 H12 120.270 no .
C20 C21 H13 119.737 no .
C22 C21 H13 119.744 no .
C17 C22 H14 119.328 no .
C21 C22 H14 119.328 no .
C23 C24 H15 119.407 no .
C25 C24 H15 119.412 no .
C24 C25 H16 120.296 no .
C26 C25 H16 120.279 no .
C25 C26 H17 120.296 no .
C27 C26 H17 120.288 no .
C26 C27 H18 119.849 no .
C28 C27 H18 119.833 no .
C23 C28 H19 118.825 no .
C27 C28 H19 118.838 no .
C29 C30 H20 115.228 no .
C38 C30 H20 115.231 no .
C31 C32 H21 119.679 no .
C33 C32 H21 119.685 no .
C32 C33 H22 120.217 no .
C34 C33 H22 120.190 no .
C34 C35 H23 120.164 no .
C36 C35 H23 120.180 no .
C31 C36 H24 119.322 no .
C35 C36 H24 119.327 no .
C38 C39 H25 119.587 no .
C40 C39 H25 119.595 no .
C39 C40 H26 120.004 no .
C41 C40 H26 120.014 no .
C41 C42 H27 120.031 no .
C43 C42 H27 120.020 no .
C38 C43 H28 119.926 no .
C42 C43 H28 119.926 no .
C45 C46 H29 119.198 no .
C47 C46 H29 119.187 no .
C46 C47 H30 120.331 no .
C48 C47 H30 120.331 no .
C47 C48 H31 120.053 no .
C49 C48 H31 120.059 no .
C48 C49 H32 119.620 no .
C50 C49 H32 119.621 no .
C45 C50 H33 119.580 no .
C49 C50 H33 119.583 no .
C51 C52 H34 119.654 no .
C53 C52 H34 119.641 no .
C52 C53 H35 119.686 no .
C54 C53 H35 119.676 no .
C53 C54 H36 120.436 no .
C55 C54 H36 120.432 no .
C54 C55 H37 119.707 no .
C56 C55 H37 119.720 no .
C51 C56 H38 119.080 no .
C55 C56 H38 119.073 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
Si1 Si1 2.362(2) yes 2_666
Si1 C1 1.903(4) yes .
Si1 C17 1.899(4) yes .
Si1 C23 1.885(5) yes .
Si2 Si2 2.3647(14) yes 2_657
Si2 C29 1.888(4) yes .
Si2 C45 1.874(4) yes .
Si2 C51 1.880(5) yes .
F1 C9 1.297(8) yes .
F2 C9 1.313(9) yes .
F3 C9 1.355(7) yes .
F4 C16 1.357(6) yes .
F5 C16 1.305(6) yes .
F6 C16 1.336(5) yes .
F7 C37 1.302(7) yes .
F8 C37 1.323(9) yes .
F9 C37 1.316(6) yes .
F10 C44 1.337(5) yes .
F11 C44 1.340(6) yes .
F12 C44 1.331(5) yes .
C1 C2 1.345(7) yes .
C1 C3 1.498(7) yes .
C2 C10 1.480(5) yes .
C3 C4 1.398(5) yes .
C3 C8 1.378(8) yes .
C4 C5 1.379(8) yes .
C5 C6 1.376(9) yes .
C6 C7 1.393(6) yes .
C6 C9 1.495(9) yes .
C7 C8 1.380(7) yes .
C10 C11 1.389(7) yes .
C10 C15 1.399(7) yes .
C11 C12 1.386(6) yes .
C12 C13 1.377(7) yes .
C13 C14 1.392(7) yes .
C13 C16 1.493(5) yes .
C14 C15 1.385(5) yes .
C17 C18 1.362(6) yes .
C17 C22 1.412(6) yes .
C18 C19 1.384(5) yes .
C19 C20 1.378(6) yes .
C20 C21 1.368(7) yes .
C21 C22 1.368(6) yes .
C23 C24 1.398(5) yes .
C23 C28 1.374(8) yes .
C24 C25 1.399(8) yes .
C25 C26 1.372(8) yes .
C26 C27 1.394(6) yes .
C27 C28 1.358(8) yes .
C29 C30 1.353(5) yes .
C29 C31 1.489(6) yes .
C30 C38 1.477(5) yes .
C31 C32 1.389(5) yes .
C31 C36 1.391(7) yes .
C32 C33 1.396(6) yes .
C33 C34 1.378(8) yes .
C34 C35 1.374(6) yes .
C34 C37 1.506(8) yes .
C35 C36 1.381(7) yes .
C38 C39 1.388(5) yes .
C38 C43 1.392(5) yes .
C39 C40 1.383(5) yes .
C40 C41 1.383(5) yes .
C41 C42 1.377(5) yes .
C41 C44 1.501(5) yes .
C42 C43 1.399(5) yes .
C45 C46 1.402(7) yes .
C45 C50 1.403(5) yes .
C46 C47 1.399(6) yes .
C47 C48 1.399(6) yes .
C48 C49 1.371(8) yes .
C49 C50 1.398(6) yes .
C51 C52 1.411(5) yes .
C51 C56 1.396(5) yes .
C52 C53 1.389(8) yes .
C53 C54 1.387(6) yes .
C54 C55 1.380(6) yes .
C55 C56 1.378(8) yes .
C2 H1 0.950 no .
C4 H2 0.950 no .
C5 H3 0.950 no .
C7 H4 0.950 no .
C8 H5 0.950 no .
C11 H6 0.950 no .
C12 H7 0.950 no .
C14 H8 0.950 no .
C15 H9 0.950 no .
C18 H10 0.950 no .
C19 H11 0.950 no .
C20 H12 0.950 no .
C21 H13 0.950 no .
C22 H14 0.950 no .
C24 H15 0.950 no .
C25 H16 0.950 no .
C26 H17 0.950 no .
C27 H18 0.950 no .
C28 H19 0.950 no .
C30 H20 0.950 no .
C32 H21 0.950 no .
C33 H22 0.950 no .
C35 H23 0.950 no .
C36 H24 0.950 no .
C39 H25 0.950 no .
C40 H26 0.950 no .
C42 H27 0.950 no .
C43 H28 0.950 no .
C46 H29 0.950 no .
C47 H30 0.950 no .
C48 H31 0.950 no .
C49 H32 0.950 no .
C50 H33 0.950 no .
C52 H34 0.950 no .
C53 H35 0.950 no .
C54 H36 0.950 no .
C55 H37 0.950 no .
C56 H38 0.950 no .
