#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:02:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180285 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/71/7117141.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_7117141
loop_
_publ_author_name
'Christina Eller'
'Gerald Kehr'
'Constantin G. Daniliuc'
'Gerhard Erker'
_publ_section_title
;
 Unusual product formation in a 1,1-carboboration reaction
;
_journal_name_full               Chem.Commun.
_journal_page_first              8436
_journal_paper_doi               10.1039/C5cc00734H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C32 H24 B F15 Si2'
_chemical_formula_weight         760.50
_chemical_name_common            cel530
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2015-01-22 deposited with the CCDC.
2015-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                101.8590(10)
_cell_angle_beta                 98.6580(10)
_cell_angle_gamma                117.6940(10)
_cell_formula_units_Z            4
_cell_length_a                   13.8787(3)
_cell_length_b                   14.2041(3)
_cell_length_c                   19.8693(3)
_cell_measurement_reflns_used    126
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      33.2790
_cell_measurement_theta_min      3.7258
_cell_volume                     3254.49(12)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 v.2014.5-0 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2014)'
_computing_publication_material  'SHELXL2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'KappaCCD APEXII'
_diffrn_measurement_method       'phi / omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_unetI/netI     0.0679
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            44786
_diffrn_reflns_theta_full        68.33
_diffrn_reflns_theta_max         68.33
_diffrn_reflns_theta_min         3.68
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.009
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker AXS (2014). SADABS, Version 2014/2, Bruker AXS Inc., Madison, Wisconsin,
USA.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         11780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0554P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1163
_reflns_number_gt                9044
_reflns_number_total             11780
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc00734h2.cif
_cod_data_source_block           erk7775
_cod_original_cell_volume        3254.49(11)
_cod_database_code               7117141
#BEGIN Tags that were not found in dictionaries:
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si2A -0.01644(6) 0.81064(6) 0.63893(4) 0.02874(18) Uani d . . . 1 . .
Si Si1A 0.21299(5) 0.83310(5) 0.38063(3) 0.01637(14) Uani d . . . 1 . .
B B3A 0.3478(2) 0.7825(2) 0.57493(15) 0.0190(6) Uani d . . . 1 . .
C C8A 0.0890(2) 0.8982(2) 0.59502(13) 0.0188(5) Uani d . . . 1 . .
H H8A 0.069 0.9539 0.5846 0.023 Uiso calc U . R 1 . .
C C7A 0.0961(2) 0.83552(19) 0.52597(12) 0.0167(5) Uani d . . . 1 . .
C C6A 0.2001(2) 0.85496(19) 0.52824(12) 0.0157(5) Uani d . . . 1 . .
C C5A 0.2411(2) 0.81005(18) 0.47284(12) 0.0157(5) Uani d . . . 1 . .
C C4A 0.3118(2) 0.77376(18) 0.49434(12) 0.0156(5) Uani d . . . 1 . .
C C2A 0.3178(2) 0.8507(2) 0.63112(13) 0.0212(5) Uani d . . . 1 . .
H H211 0.2552 0.798 0.6466 0.025 Uiso calc U . R 1 . .
H H212 0.3845 0.8984 0.6738 0.025 Uiso calc U . R 1 . .
C C1A 0.2821(2) 0.92518(19) 0.60213(13) 0.0182(5) Uani d . . . 1 . .
H H1A 0.3501 0.9914 0.5988 0.022 Uiso calc U . R 1 . .
C C9A 0.2149(2) 0.9645(2) 0.64346(13) 0.0198(5) Uani d . . . 1 . .
H H911 0.247 1.0461 0.6532 0.024 Uiso calc U . R 1 . .
H H912 0.2184 0.9488 0.6898 0.024 Uiso calc U . R 1 . .
C C14A -0.1655(3) 0.7495(3) 0.58328(18) 0.0475(9) Uani d . . . 1 . .
H H14A -0.2182 0.7169 0.6109 0.071 Uiso calc U . R 1 . .
H H14B -0.182 0.691 0.5397 0.071 Uiso calc U . R 1 . .
H H14C -0.1743 0.8085 0.5702 0.071 Uiso calc U . R 1 . .
C C15A 0.0056(3) 0.9073(3) 0.72662(17) 0.0474(9) Uani d . . . 1 . .
H H15A -0.0031 0.969 0.7185 0.071 Uiso calc U . R 1 . .
H H15B 0.0822 0.9374 0.7575 0.071 Uiso calc U . R 1 . .
H H15C -0.0505 0.8662 0.7499 0.071 Uiso calc U . R 1 . .
C C16A 0.0078(3) 0.6967(3) 0.65420(16) 0.0412(8) Uani d . . . 1 . .
H H16A 0.0854 0.7298 0.6844 0.062 Uiso calc U . R 1 . .
H H16B -0.0032 0.6466 0.608 0.062 Uiso calc U . R 1 . .
H H16C -0.0462 0.6541 0.6782 0.062 Uiso calc U . R 1 . .
C C21A -0.0068(2) 0.7527(2) 0.46533(13) 0.0182(5) Uani d . . . 1 . .
F F22A -0.05570(14) 0.88817(13) 0.45177(8) 0.0282(3) Uani d . . . 1 . .
C C22A -0.0793(2) 0.7819(2) 0.43115(13) 0.0213(5) Uani d . . . 1 . .
F F23A -0.24137(14) 0.73707(16) 0.34284(9) 0.0372(4) Uani d . . . 1 . .
C C23A -0.1762(2) 0.7049(2) 0.37531(14) 0.0254(6) Uani d . . . 1 . .
F F24A -0.29795(14) 0.51913(15) 0.30021(9) 0.0395(4) Uani d . . . 1 . .
C C24A -0.2046(2) 0.5941(2) 0.35347(14) 0.0286(6) Uani d . . . 1 . .
C C11A 0.1876(2) 0.9532(2) 0.39513(13) 0.0214(5) Uani d . . . 1 . .
H H11A 0.1883 0.9771 0.3522 0.032 Uiso calc U . R 1 . .
H H11B 0.2475 1.0156 0.4364 0.032 Uiso calc U . R 1 . .
H H11C 0.1137 0.9296 0.4044 0.032 Uiso calc U . R 1 . .
F F25A -0.16376(14) 0.45437(12) 0.36620(9) 0.0354(4) Uani d . . . 1 . .
C C12A 0.0896(2) 0.7076(2) 0.30937(13) 0.0253(5) Uani d . . . 1 . .
H H12A 0.0189 0.7035 0.3148 0.038 Uiso calc U . R 1 . .
H H12B 0.0883 0.6396 0.314 0.038 Uiso calc U . R 1 . .
H H12C 0.0972 0.714 0.262 0.038 Uiso calc U . R 1 . .
C C25A -0.1363(2) 0.5618(2) 0.38660(14) 0.0252(6) Uani d . . . 1 . .
F F26A 0.02420(13) 0.60436(12) 0.47308(8) 0.0246(3) Uani d . . . 1 . .
C C13A 0.3442(2) 0.8759(2) 0.34962(13) 0.0214(5) Uani d . . . 1 . .
H H13A 0.3382 0.9061 0.3101 0.032 Uiso calc U . R 1 . .
H H13B 0.3521 0.8106 0.3332 0.032 Uiso calc U . R 1 . .
H H13C 0.4108 0.9334 0.3894 0.032 Uiso calc U . R 1 . .
C C26A -0.0386(2) 0.6405(2) 0.44190(13) 0.0196(5) Uani d . . . 1 . .
C C41A 0.3610(2) 0.73053(19) 0.44326(12) 0.0166(5) Uani d . . . 1 . .
F F42A 0.18469(12) 0.57007(12) 0.37444(8) 0.0245(3) Uani d . . . 1 . .
C C42A 0.2971(2) 0.6329(2) 0.38537(13) 0.0182(5) Uani d . . . 1 . .
F F43A 0.27894(14) 0.50374(12) 0.28099(8) 0.0286(3) Uani d . . . 1 . .
C C43A 0.3454(2) 0.5980(2) 0.33767(13) 0.0214(5) Uani d . . . 1 . .
F F44A 0.50741(14) 0.62213(13) 0.30215(9) 0.0333(4) Uani d . . . 1 . .
C C44A 0.4606(2) 0.6567(2) 0.34769(14) 0.0238(5) Uani d . . . 1 . .
F F45A 0.64035(14) 0.81099(13) 0.41765(10) 0.0348(4) Uani d . . . 1 . .
C C45A 0.5276(2) 0.7521(2) 0.40643(15) 0.0238(5) Uani d . . . 1 . .
F F46A 0.54425(12) 0.88257(12) 0.50757(8) 0.0257(3) Uani d . . . 1 . .
C C46A 0.4773(2) 0.78716(19) 0.45233(13) 0.0193(5) Uani d . . . 1 . .
C C31A 0.4141(2) 0.7230(2) 0.59711(12) 0.0182(5) Uani d . . . 1 . .
F F32A 0.27787(12) 0.54707(11) 0.51172(8) 0.0250(3) Uani d . . . 1 . .
C C32A 0.3784(2) 0.6116(2) 0.56261(13) 0.0195(5) Uani d . . . 1 . .
F F33A 0.40207(14) 0.45419(12) 0.54459(9) 0.0334(4) Uani d . . . 1 . .
C C33A 0.4402(2) 0.5624(2) 0.57857(14) 0.0227(5) Uani d . . . 1 . .
F F34A 0.60519(14) 0.57900(13) 0.64595(9) 0.0317(4) Uani d . . . 1 . .
C C34A 0.5438(2) 0.6252(2) 0.63044(14) 0.0218(5) Uani d . . . 1 . .
F F35A 0.68414(13) 0.79769(13) 0.71605(9) 0.0301(3) Uani d . . . 1 . .
C C35A 0.5831(2) 0.7360(2) 0.66620(14) 0.0218(5) Uani d . . . 1 . .
F F36A 0.56005(13) 0.88979(12) 0.68650(8) 0.0281(3) Uani d . . . 1 . .
C C36A 0.5175(2) 0.7814(2) 0.64988(13) 0.0202(5) Uani d . . . 1 . .
Si Si2B 0.31843(6) 0.71250(6) -0.12334(4) 0.02114(15) Uani d . . . 1 . .
Si Si1B 0.15214(5) 0.94706(5) 0.11067(3) 0.01745(14) Uani d . . . 1 . .
B B3B -0.1103(2) 0.6826(2) -0.07746(15) 0.0201(6) Uani d . . . 1 . .
C C8B 0.2690(2) 0.8109(2) -0.08656(13) 0.0182(5) Uani d . . . 1 . .
H H8B 0.3335 0.8889 -0.0763 0.022 Uiso calc U . R 1 . .
C C7B 0.2269(2) 0.8073(2) -0.02006(13) 0.0180(5) Uani d . . . 1 . .
C C6B 0.1302(2) 0.80853(19) -0.02842(12) 0.0169(5) Uani d . . . 1 . .
C C5B 0.0688(2) 0.81904(19) 0.02488(12) 0.0165(5) Uani d . . . 1 . .
C C4B -0.0466(2) 0.75532(19) 0.00272(12) 0.0163(5) Uani d . . . 1 . .
C C2B -0.0392(2) 0.6911(2) -0.13232(13) 0.0234(5) Uani d . . . 1 . .
H H221 -0.0314 0.6242 -0.1433 0.028 Uiso calc U . R 1 . .
H H222 -0.0806 0.691 -0.1775 0.028 Uiso calc U . R 1 . .
C C1B 0.0802(2) 0.7972(2) -0.10441(13) 0.0195(5) Uani d . . . 1 . .
H H1B 0.0738 0.8643 -0.1051 0.023 Uiso calc U . R 1 . .
C C9B 0.1674(2) 0.7952(2) -0.14359(14) 0.0251(6) Uani d . . . 1 . .
H H921 0.1939 0.8564 -0.1652 0.03 Uiso calc U . R 1 . .
H H922 0.1327 0.723 -0.1822 0.03 Uiso calc U . R 1 . .
C C14B 0.3610(2) 0.7477(2) -0.20419(14) 0.0258(6) Uani d . . . 1 . .
H H14D 0.3945 0.7043 -0.2231 0.039 Uiso calc U . R 1 . .
H H14E 0.4168 0.8279 -0.1906 0.039 Uiso calc U . R 1 . .
H H14F 0.294 0.7293 -0.241 0.039 Uiso calc U . R 1 . .
C C15B 0.4457(3) 0.7358(3) -0.05728(16) 0.0352(7) Uani d . . . 1 . .
H H15D 0.4801 0.6975 -0.0817 0.053 Uiso calc U . R 1 . .
H H15E 0.4222 0.7057 -0.0186 0.053 Uiso calc U . R 1 . .
H H15F 0.5013 0.8162 -0.0371 0.053 Uiso calc U . R 1 . .
C C16B 0.2004(3) 0.5641(2) -0.14797(19) 0.0435(8) Uani d . . . 1 . .
H H16D 0.1376 0.5502 -0.1865 0.065 Uiso calc U . R 1 . .
H H16E 0.1739 0.5508 -0.106 0.065 Uiso calc U . R 1 . .
H H16F 0.2277 0.5136 -0.1644 0.065 Uiso calc U . R 1 . .
C C21B 0.2872(2) 0.8003(2) 0.04521(13) 0.0203(5) Uani d . . . 1 . .
F F22B 0.46202(12) 0.95688(13) 0.05413(8) 0.0290(3) Uani d . . . 1 . .
C C22B 0.4023(2) 0.8734(2) 0.07942(14) 0.0239(5) Uani d . . . 1 . .
F F23B 0.57023(15) 0.94160(17) 0.17112(9) 0.0446(5) Uani d . . . 1 . .
C C23B 0.4592(2) 0.8666(3) 0.13962(14) 0.0321(7) Uani d . . . 1 . .
F F24B 0.45621(19) 0.7728(2) 0.22502(10) 0.0526(6) Uani d . . . 1 . .
C C24B 0.4018(3) 0.7818(3) 0.16752(15) 0.0356(7) Uani d . . . 1 . .
C C11B 0.2936(2) 1.0470(2) 0.10273(15) 0.0253(5) Uani d . . . 1 . .
H H11D 0.3197 1.1228 0.1331 0.038 Uiso calc U . R 1 . .
H H11E 0.2871 1.0457 0.0527 0.038 Uiso calc U . R 1 . .
H H11F 0.3484 1.0249 0.1182 0.038 Uiso calc U . R 1 . .
F F25B 0.23118(19) 0.62393(17) 0.16193(11) 0.0478(5) Uani d . . . 1 . .
C C25B 0.2878(3) 0.7067(3) 0.13487(16) 0.0337(7) Uani d . . . 1 . .
C C12B 0.1741(3) 0.9105(2) 0.19412(14) 0.0328(7) Uani d . . . 1 . .
H H12D 0.2011 0.8576 0.1866 0.049 Uiso calc U . R 1 . .
H H12E 0.1021 0.8761 0.2062 0.049 Uiso calc U . R 1 . .
H H12F 0.2305 0.9786 0.2335 0.049 Uiso calc U . R 1 . .
F F26B 0.12203(14) 0.63829(13) 0.04487(9) 0.0326(4) Uani d . . . 1 . .
C C26B 0.2318(2) 0.7156(2) 0.07501(14) 0.0241(5) Uani d . . . 1 . .
C C13B 0.0700(2) 1.0209(2) 0.11580(14) 0.0248(5) Uani d . . . 1 . .
H H13D 0.0068 0.9824 0.1353 0.037 Uiso calc U . R 1 . .
H H13E 0.0402 1.0204 0.0677 0.037 Uiso calc U . R 1 . .
H H13F 0.12 1.0984 0.1472 0.037 Uiso calc U . R 1 . .
C C41B -0.1135(2) 0.76252(19) 0.05396(13) 0.0173(5) Uani d . . . 1 . .
F F42B -0.04582(12) 0.68016(11) 0.12547(7) 0.0212(3) Uani d . . . 1 . .
C C42B -0.1086(2) 0.72689(19) 0.11393(13) 0.0176(5) Uani d . . . 1 . .
F F43B -0.15667(14) 0.70568(13) 0.22108(8) 0.0301(3) Uani d . . . 1 . .
C C43B -0.1660(2) 0.7385(2) 0.16313(13) 0.0210(5) Uani d . . . 1 . .
F F44B -0.28988(15) 0.79572(15) 0.19954(9) 0.0353(4) Uani d . . . 1 . .
C C44B -0.2343(2) 0.7836(2) 0.15243(14) 0.0245(6) Uani d . . . 1 . .
F F45B -0.30884(15) 0.86194(15) 0.08177(9) 0.0350(4) Uani d . . . 1 . .
C C45B -0.2441(2) 0.8167(2) 0.09223(15) 0.0243(5) Uani d . . . 1 . .
F F46B -0.19322(13) 0.84219(13) -0.01196(8) 0.0264(3) Uani d . . . 1 . .
C C46B -0.1850(2) 0.8050(2) 0.04450(13) 0.0195(5) Uani d . . . 1 . .
C C31B -0.2443(2) 0.6100(2) -0.10134(12) 0.0182(5) Uani d . . . 1 . .
F F32B -0.25356(13) 0.50862(12) -0.01926(8) 0.0274(3) Uani d . . . 1 . .
C C32B -0.3073(2) 0.5334(2) -0.06894(13) 0.0209(5) Uani d . . . 1 . .
F F33B -0.48209(14) 0.40564(15) -0.05302(10) 0.0390(4) Uani d . . . 1 . .
C C33B -0.4245(2) 0.4793(2) -0.08545(15) 0.0243(5) Uani d . . . 1 . .
F F34B -0.59572(13) 0.45347(14) -0.15091(10) 0.0367(4) Uani d . . . 1 . .
C C34B -0.4833(2) 0.5027(2) -0.13542(15) 0.0248(6) Uani d . . . 1 . .
F F35B -0.48036(13) 0.60204(13) -0.21714(8) 0.0278(3) Uani d . . . 1 . .
C C35B -0.4249(2) 0.5780(2) -0.16932(13) 0.0201(5) Uani d . . . 1 . .
F F36B -0.25515(12) 0.70214(12) -0.18628(8) 0.0233(3) Uani d . . . 1 . .
C C36B -0.3077(2) 0.62874(19) -0.15208(13) 0.0183(5) Uani d . . . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C15A Si2A C16A . . 109.80(17)
C15A Si2A C14A . . 108.24(16)
C16A Si2A C14A . . 110.19(17)
C15A Si2A C8A . . 106.74(13)
C16A Si2A C8A . . 110.99(13)
C14A Si2A C8A . . 110.79(14)
C11A Si1A C12A . . 109.65(12)
C11A Si1A C13A . . 107.52(11)
C12A Si1A C13A . . 109.18(12)
C11A Si1A C5A . . 107.19(11)
C12A Si1A C5A . . 114.10(11)
C13A Si1A C5A . . 108.99(11)
C2A B3A C4A . . 118.5(2)
C2A B3A C31A . . 122.0(2)
C4A B3A C31A . . 119.4(2)
C7A C8A C9A . . 102.61(19)
C7A C8A Si2A . . 116.61(16)
C9A C8A Si2A . . 113.37(17)
C7A C8A H8A . . 107.9
C9A C8A H8A . . 107.9
Si2A C8A H8A . . 107.9
C6A C7A C21A . . 124.4(2)
C6A C7A C8A . . 113.4(2)
C21A C7A C8A . . 121.9(2)
C7A C6A C5A . . 129.7(2)
C7A C6A C1A . . 111.9(2)
C5A C6A C1A . . 118.1(2)
C4A C5A C6A . . 117.0(2)
C4A C5A Si1A . . 124.80(18)
C6A C5A Si1A . . 117.18(17)
C5A C4A C41A . . 121.2(2)
C5A C4A B3A . . 120.1(2)
C41A C4A B3A . . 118.6(2)
C1A C2A B3A . . 113.1(2)
C1A C2A H211 . . 109.0
B3A C2A H211 . . 109.0
C1A C2A H212 . . 109.0
B3A C2A H212 . . 109.0
H211 C2A H212 . . 107.8
C6A C1A C2A . . 107.00(19)
C6A C1A C9A . . 104.1(2)
C2A C1A C9A . . 115.9(2)
C6A C1A H1A . . 109.9
C2A C1A H1A . . 109.9
C9A C1A H1A . . 109.9
C1A C9A C8A . . 107.02(19)
C1A C9A H911 . . 110.3
C8A C9A H911 . . 110.3
C1A C9A H912 . . 110.3
C8A C9A H912 . . 110.3
H911 C9A H912 . . 108.6
Si2A C14A H14A . . 109.5
Si2A C14A H14B . . 109.5
H14A C14A H14B . . 109.5
Si2A C14A H14C . . 109.5
H14A C14A H14C . . 109.5
H14B C14A H14C . . 109.5
Si2A C15A H15A . . 109.5
Si2A C15A H15B . . 109.5
H15A C15A H15B . . 109.5
Si2A C15A H15C . . 109.5
H15A C15A H15C . . 109.5
H15B C15A H15C . . 109.5
Si2A C16A H16A . . 109.5
Si2A C16A H16B . . 109.5
H16A C16A H16B . . 109.5
Si2A C16A H16C . . 109.5
H16A C16A H16C . . 109.5
H16B C16A H16C . . 109.5
C26A C21A C22A . . 116.3(2)
C26A C21A C7A . . 121.5(2)
C22A C21A C7A . . 122.1(2)
F22A C22A C23A . . 117.6(2)
F22A C22A C21A . . 119.9(2)
C23A C22A C21A . . 122.5(2)
F23A C23A C24A . . 120.2(2)
F23A C23A C22A . . 120.4(3)
C24A C23A C22A . . 119.4(3)
F24A C24A C25A . . 120.2(3)
F24A C24A C23A . . 120.0(3)
C25A C24A C23A . . 119.8(2)
Si1A C11A H11A . . 109.5
Si1A C11A H11B . . 109.5
H11A C11A H11B . . 109.5
Si1A C11A H11C . . 109.5
H11A C11A H11C . . 109.5
H11B C11A H11C . . 109.5
Si1A C12A H12A . . 109.5
Si1A C12A H12B . . 109.5
H12A C12A H12B . . 109.5
Si1A C12A H12C . . 109.5
H12A C12A H12C . . 109.5
H12B C12A H12C . . 109.5
F25A C25A C24A . . 120.2(2)
F25A C25A C26A . . 119.8(3)
C24A C25A C26A . . 120.0(3)
Si1A C13A H13A . . 109.5
Si1A C13A H13B . . 109.5
H13A C13A H13B . . 109.5
Si1A C13A H13C . . 109.5
H13A C13A H13C . . 109.5
H13B C13A H13C . . 109.5
F26A C26A C21A . . 120.4(2)
F26A C26A C25A . . 117.6(2)
C21A C26A C25A . . 122.0(2)
C42A C41A C46A . . 115.8(2)
C42A C41A C4A . . 123.8(2)
C46A C41A C4A . . 120.5(2)
F42A C42A C43A . . 118.2(2)
F42A C42A C41A . . 119.8(2)
C43A C42A C41A . . 122.0(2)
F43A C43A C44A . . 119.5(2)
F43A C43A C42A . . 119.7(2)
C44A C43A C42A . . 120.8(2)
F44A C44A C43A . . 120.8(2)
F44A C44A C45A . . 120.4(2)
C43A C44A C45A . . 118.8(2)
F45A C45A C46A . . 120.4(2)
F45A C45A C44A . . 120.2(2)
C46A C45A C44A . . 119.4(2)
F46A C46A C45A . . 118.1(2)
F46A C46A C41A . . 118.7(2)
C45A C46A C41A . . 123.2(2)
C36A C31A C32A . . 114.8(2)
C36A C31A B3A . . 121.8(2)
C32A C31A B3A . . 123.3(2)
F32A C32A C33A . . 117.4(2)
F32A C32A C31A . . 119.4(2)
C33A C32A C31A . . 123.2(2)
F33A C33A C32A . . 121.4(2)
F33A C33A C34A . . 119.1(2)
C32A C33A C34A . . 119.5(2)
F34A C34A C35A . . 120.3(2)
F34A C34A C33A . . 120.2(2)
C35A C34A C33A . . 119.5(2)
F35A C35A C36A . . 121.1(2)
F35A C35A C34A . . 119.7(2)
C36A C35A C34A . . 119.2(2)
F36A C36A C35A . . 116.6(2)
F36A C36A C31A . . 119.6(2)
C35A C36A C31A . . 123.8(2)
C16B Si2B C14B . . 111.32(14)
C16B Si2B C15B . . 109.90(16)
C14B Si2B C15B . . 108.44(13)
C16B Si2B C8B . . 109.87(14)
C14B Si2B C8B . . 105.50(11)
C15B Si2B C8B . . 111.75(12)
C12B Si1B C11B . . 108.66(13)
C12B Si1B C13B . . 110.34(14)
C11B Si1B C13B . . 107.02(12)
C12B Si1B C5B . . 113.84(11)
C11B Si1B C5B . . 110.22(11)
C13B Si1B C5B . . 106.54(11)
C4B B3B C2B . . 118.5(2)
C4B B3B C31B . . 119.1(2)
C2B B3B C31B . . 122.3(2)
C7B C8B C9B . . 102.76(19)
C7B C8B Si2B . . 121.04(17)
C9B C8B Si2B . . 111.18(17)
C7B C8B H8B . . 107.0
C9B C8B H8B . . 107.0
Si2B C8B H8B . . 107.0
C6B C7B C21B . . 124.9(2)
C6B C7B C8B . . 112.6(2)
C21B C7B C8B . . 122.4(2)
C7B C6B C5B . . 129.7(2)
C7B C6B C1B . . 112.3(2)
C5B C6B C1B . . 118.0(2)
C4B C5B C6B . . 117.3(2)
C4B C5B Si1B . . 123.21(18)
C6B C5B Si1B . . 117.41(17)
C5B C4B C41B . . 119.8(2)
C5B C4B B3B . . 120.5(2)
C41B C4B B3B . . 119.5(2)
C1B C2B B3B . . 112.9(2)
C1B C2B H221 . . 109.0
B3B C2B H221 . . 109.0
C1B C2B H222 . . 109.0
B3B C2B H222 . . 109.0
H221 C2B H222 . . 107.8
C6B C1B C9B . . 104.5(2)
C6B C1B C2B . . 107.5(2)
C9B C1B C2B . . 115.9(2)
C6B C1B H1B . . 109.6
C9B C1B H1B . . 109.6
C2B C1B H1B . . 109.6
C1B C9B C8B . . 107.2(2)
C1B C9B H921 . . 110.3
C8B C9B H921 . . 110.3
C1B C9B H922 . . 110.3
C8B C9B H922 . . 110.3
H921 C9B H922 . . 108.5
Si2B C14B H14D . . 109.5
Si2B C14B H14E . . 109.5
H14D C14B H14E . . 109.5
Si2B C14B H14F . . 109.5
H14D C14B H14F . . 109.5
H14E C14B H14F . . 109.5
Si2B C15B H15D . . 109.5
Si2B C15B H15E . . 109.5
H15D C15B H15E . . 109.5
Si2B C15B H15F . . 109.5
H15D C15B H15F . . 109.5
H15E C15B H15F . . 109.5
Si2B C16B H16D . . 109.5
Si2B C16B H16E . . 109.5
H16D C16B H16E . . 109.5
Si2B C16B H16F . . 109.5
H16D C16B H16F . . 109.5
H16E C16B H16F . . 109.5
C22B C21B C26B . . 115.4(2)
C22B C21B C7B . . 123.1(2)
C26B C21B C7B . . 121.5(2)
F22B C22B C23B . . 117.4(3)
F22B C22B C21B . . 119.2(2)
C23B C22B C21B . . 123.4(3)
F23B C23B C22B . . 120.4(3)
F23B C23B C24B . . 119.9(3)
C22B C23B C24B . . 119.6(3)
F24B C24B C25B . . 120.7(3)
F24B C24B C23B . . 120.4(3)
C25B C24B C23B . . 118.9(3)
Si1B C11B H11D . . 109.5
Si1B C11B H11E . . 109.5
H11D C11B H11E . . 109.5
Si1B C11B H11F . . 109.5
H11D C11B H11F . . 109.5
H11E C11B H11F . . 109.5
F25B C25B C24B . . 119.2(3)
F25B C25B C26B . . 120.1(3)
C24B C25B C26B . . 120.6(3)
Si1B C12B H12D . . 109.5
Si1B C12B H12E . . 109.5
H12D C12B H12E . . 109.5
Si1B C12B H12F . . 109.5
H12D C12B H12F . . 109.5
H12E C12B H12F . . 109.5
F26B C26B C25B . . 117.6(2)
F26B C26B C21B . . 120.4(2)
C25B C26B C21B . . 122.0(3)
Si1B C13B H13D . . 109.5
Si1B C13B H13E . . 109.5
H13D C13B H13E . . 109.5
Si1B C13B H13F . . 109.5
H13D C13B H13F . . 109.5
H13E C13B H13F . . 109.5
C46B C41B C42B . . 115.6(2)
C46B C41B C4B . . 122.0(2)
C42B C41B C4B . . 122.3(2)
F42B C42B C43B . . 118.0(2)
F42B C42B C41B . . 119.7(2)
C43B C42B C41B . . 122.3(2)
F43B C43B C42B . . 120.4(2)
F43B C43B C44B . . 119.6(2)
C42B C43B C44B . . 120.0(2)
F44B C44B C45B . . 120.0(2)
F44B C44B C43B . . 120.7(2)
C45B C44B C43B . . 119.3(2)
F45B C45B C46B . . 120.8(2)
F45B C45B C44B . . 119.8(2)
C46B C45B C44B . . 119.4(2)
F46B C46B C45B . . 117.7(2)
F46B C46B C41B . . 119.0(2)
C45B C46B C41B . . 123.3(2)
C36B C31B C32B . . 115.0(2)
C36B C31B B3B . . 120.6(2)
C32B C31B B3B . . 124.1(2)
F32B C32B C33B . . 117.2(2)
F32B C32B C31B . . 119.5(2)
C33B C32B C31B . . 123.2(2)
F33B C33B C34B . . 119.3(2)
F33B C33B C32B . . 121.3(2)
C34B C33B C32B . . 119.4(2)
F34B C34B C33B . . 120.4(2)
F34B C34B C35B . . 119.9(2)
C33B C34B C35B . . 119.7(2)
F35B C35B C34B . . 120.4(2)
F35B C35B C36B . . 120.7(2)
C34B C35B C36B . . 118.9(2)
F36B C36B C31B . . 119.9(2)
F36B C36B C35B . . 116.3(2)
C31B C36B C35B . . 123.7(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Si2A C15A . 1.865(3)
Si2A C16A . 1.871(4)
Si2A C14A . 1.872(4)
Si2A C8A . 1.895(2)
Si1A C11A . 1.872(3)
Si1A C12A . 1.873(3)
Si1A C13A . 1.879(2)
Si1A C5A . 1.941(2)
B3A C2A . 1.560(4)
B3A C4A . 1.565(4)
B3A C31A . 1.583(4)
C8A C7A . 1.518(3)
C8A C9A . 1.567(3)
C8A H8A . 1.0
C7A C6A . 1.328(4)
C7A C21A . 1.488(3)
C6A C5A . 1.477(3)
C6A C1A . 1.512(3)
C5A C4A . 1.358(4)
C4A C41A . 1.488(3)
C2A C1A . 1.532(3)
C2A H211 . 0.99
C2A H212 . 0.99
C1A C9A . 1.543(3)
C1A H1A . 1.0
C9A H911 . 0.99
C9A H912 . 0.99
C14A H14A . 0.98
C14A H14B . 0.98
C14A H14C . 0.98
C15A H15A . 0.98
C15A H15B . 0.98
C15A H15C . 0.98
C16A H16A . 0.98
C16A H16B . 0.98
C16A H16C . 0.98
C21A C26A . 1.389(4)
C21A C22A . 1.393(4)
F22A C22A . 1.342(3)
C22A C23A . 1.386(4)
F23A C23A . 1.332(3)
C23A C24A . 1.382(4)
F24A C24A . 1.332(3)
C24A C25A . 1.372(4)
C11A H11A . 0.98
C11A H11B . 0.98
C11A H11C . 0.98
F25A C25A . 1.341(3)
C12A H12A . 0.98
C12A H12B . 0.98
C12A H12C . 0.98
C25A C26A . 1.390(4)
F26A C26A . 1.339(3)
C13A H13A . 0.98
C13A H13B . 0.98
C13A H13C . 0.98
C41A C42A . 1.388(3)
C41A C46A . 1.389(4)
F42A C42A . 1.342(3)
C42A C43A . 1.379(4)
F43A C43A . 1.353(3)
C43A C44A . 1.375(4)
F44A C44A . 1.332(3)
C44A C45A . 1.384(4)
F45A C45A . 1.342(3)
C45A C46A . 1.377(4)
F46A C46A . 1.348(3)
C31A C36A . 1.390(4)
C31A C32A . 1.394(4)
F32A C32A . 1.347(3)
C32A C33A . 1.376(4)
F33A C33A . 1.345(3)
C33A C34A . 1.382(4)
F34A C34A . 1.332(3)
C34A C35A . 1.381(4)
F35A C35A . 1.341(3)
C35A C36A . 1.374(4)
F36A C36A . 1.347(3)
Si2B C16B . 1.868(3)
Si2B C14B . 1.876(3)
Si2B C15B . 1.880(3)
Si2B C8B . 1.892(2)
Si1B C12B . 1.860(3)
Si1B C11B . 1.868(3)
Si1B C13B . 1.874(3)
Si1B C5B . 1.931(2)
B3B C4B . 1.561(4)
B3B C2B . 1.563(4)
B3B C31B . 1.581(4)
C8B C7B . 1.524(3)
C8B C9B . 1.564(3)
C8B H8B . 1.0
C7B C6B . 1.336(4)
C7B C21B . 1.482(4)
C6B C5B . 1.482(3)
C6B C1B . 1.506(3)
C5B C4B . 1.362(4)
C4B C41B . 1.496(3)
C2B C1B . 1.544(4)
C2B H221 . 0.99
C2B H222 . 0.99
C1B C9B . 1.542(3)
C1B H1B . 1.0
C9B H921 . 0.99
C9B H922 . 0.99
C14B H14D . 0.98
C14B H14E . 0.98
C14B H14F . 0.98
C15B H15D . 0.98
C15B H15E . 0.98
C15B H15F . 0.98
C16B H16D . 0.98
C16B H16E . 0.98
C16B H16F . 0.98
C21B C22B . 1.391(4)
C21B C26B . 1.399(4)
F22B C22B . 1.343(3)
C22B C23B . 1.377(4)
F23B C23B . 1.346(4)
C23B C24B . 1.381(5)
F24B C24B . 1.335(3)
C24B C25B . 1.378(5)
C11B H11D . 0.98
C11B H11E . 0.98
C11B H11F . 0.98
F25B C25B . 1.348(3)
C25B C26B . 1.382(4)
C12B H12D . 0.98
C12B H12E . 0.98
C12B H12F . 0.98
F26B C26B . 1.336(3)
C13B H13D . 0.98
C13B H13E . 0.98
C13B H13F . 0.98
C41B C46B . 1.390(4)
C41B C42B . 1.391(4)
F42B C42B . 1.338(3)
C42B C43B . 1.382(4)
F43B C43B . 1.339(3)
C43B C44B . 1.383(4)
F44B C44B . 1.333(3)
C44B C45B . 1.382(4)
F45B C45B . 1.341(3)
C45B C46B . 1.377(4)
F46B C46B . 1.346(3)
C31B C36B . 1.387(4)
C31B C32B . 1.391(4)
F32B C32B . 1.349(3)
C32B C33B . 1.386(4)
F33B C33B . 1.343(3)
C33B C34B . 1.380(4)
F34B C34B . 1.331(3)
C34B C35B . 1.382(4)
F35B C35B . 1.330(3)
C35B C36B . 1.387(4)
F36B C36B . 1.347(3)
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
C15A Si2A C8A C7A . . . . 173.7(2)
C16A Si2A C8A C7A . . . . 54.1(2)
C14A Si2A C8A C7A . . . . -68.7(2)
C15A Si2A C8A C9A . . . . 54.9(2)
C16A Si2A C8A C9A . . . . -64.8(2)
C14A Si2A C8A C9A . . . . 172.49(18)
C9A C8A C7A C6A . . . . 0.2(3)
Si2A C8A C7A C6A . . . . -124.3(2)
C9A C8A C7A C21A . . . . 174.7(2)
Si2A C8A C7A C21A . . . . 50.2(3)
C21A C7A C6A C5A . . . . 5.3(4)
C8A C7A C6A C5A . . . . 179.7(2)
C21A C7A C6A C1A . . . . -168.2(2)
C8A C7A C6A C1A . . . . 6.1(3)
C7A C6A C5A C4A . . . . -134.7(3)
C1A C6A C5A C4A . . . . 38.5(3)
C7A C6A C5A Si1A . . . . 56.4(3)
C1A C6A C5A Si1A . . . . -130.39(19)
C6A C5A C4A C41A . . . . -178.0(2)
Si1A C5A C4A C41A . . . . -10.0(3)
C6A C5A C4A B3A . . . . -1.0(3)
Si1A C5A C4A B3A . . . . 166.96(17)
C2A B3A C4A C5A . . . . -10.0(3)
C31A B3A C4A C5A . . . . 170.5(2)
C2A B3A C4A C41A . . . . 167.0(2)
C31A B3A C4A C41A . . . . -12.5(3)
C4A B3A C2A C1A . . . . -14.4(3)
C31A B3A C2A C1A . . . . 165.1(2)
C7A C6A C1A C2A . . . . 113.5(2)
C5A C6A C1A C2A . . . . -60.9(3)
C7A C6A C1A C9A . . . . -9.7(3)
C5A C6A C1A C9A . . . . 175.90(19)
B3A C2A C1A C6A . . . . 45.2(3)
B3A C2A C1A C9A . . . . 160.8(2)
C6A C1A C9A C8A . . . . 9.3(2)
C2A C1A C9A C8A . . . . -107.9(2)
C7A C8A C9A C1A . . . . -6.2(2)
Si2A C8A C9A C1A . . . . 120.48(18)
C6A C7A C21A C26A . . . . 56.5(3)
C8A C7A C21A C26A . . . . -117.4(3)
C6A C7A C21A C22A . . . . -126.6(3)
C8A C7A C21A C22A . . . . 59.5(3)
C26A C21A C22A F22A . . . . 178.6(2)
C7A C21A C22A F22A . . . . 1.5(4)
C26A C21A C22A C23A . . . . -1.9(4)
C7A C21A C22A C23A . . . . -179.0(2)
F22A C22A C23A F23A . . . . 1.4(4)
C21A C22A C23A F23A . . . . -178.1(2)
F22A C22A C23A C24A . . . . -178.7(2)
C21A C22A C23A C24A . . . . 1.8(4)
F23A C23A C24A F24A . . . . -0.5(4)
C22A C23A C24A F24A . . . . 179.5(2)
F23A C23A C24A C25A . . . . 179.2(2)
C22A C23A C24A C25A . . . . -0.7(4)
F24A C24A C25A F25A . . . . -0.9(4)
C23A C24A C25A F25A . . . . 179.4(2)
F24A C24A C25A C26A . . . . 179.6(2)
C23A C24A C25A C26A . . . . -0.1(4)
C22A C21A C26A F26A . . . . -178.1(2)
C7A C21A C26A F26A . . . . -0.9(3)
C22A C21A C26A C25A . . . . 1.1(3)
C7A C21A C26A C25A . . . . 178.2(2)
F25A C25A C26A F26A . . . . -0.4(3)
C24A C25A C26A F26A . . . . 179.1(2)
F25A C25A C26A C21A . . . . -179.6(2)
C24A C25A C26A C21A . . . . -0.1(4)
C5A C4A C41A C42A . . . . -66.0(3)
B3A C4A C41A C42A . . . . 117.0(3)
C5A C4A C41A C46A . . . . 115.0(3)
B3A C4A C41A C46A . . . . -62.0(3)
C46A C41A C42A F42A . . . . 176.9(2)
C4A C41A C42A F42A . . . . -2.1(3)
C46A C41A C42A C43A . . . . -3.5(3)
C4A C41A C42A C43A . . . . 177.5(2)
F42A C42A C43A F43A . . . . 1.3(3)
C41A C42A C43A F43A . . . . -178.3(2)
F42A C42A C43A C44A . . . . -177.5(2)
C41A C42A C43A C44A . . . . 2.9(4)
F43A C43A C44A F44A . . . . 0.3(4)
C42A C43A C44A F44A . . . . 179.1(2)
F43A C43A C44A C45A . . . . -179.1(2)
C42A C43A C44A C45A . . . . -0.3(4)
F44A C44A C45A F45A . . . . 0.5(4)
C43A C44A C45A F45A . . . . 179.9(2)
F44A C44A C45A C46A . . . . 179.2(2)
C43A C44A C45A C46A . . . . -1.4(4)
F45A C45A C46A F46A . . . . 1.1(4)
C44A C45A C46A F46A . . . . -177.6(2)
F45A C45A C46A C41A . . . . 179.4(2)
C44A C45A C46A C41A . . . . 0.7(4)
C42A C41A C46A F46A . . . . -180.0(2)
C4A C41A C46A F46A . . . . -0.9(3)
C42A C41A C46A C45A . . . . 1.7(4)
C4A C41A C46A C45A . . . . -179.2(2)
C2A B3A C31A C36A . . . . -53.9(3)
C4A B3A C31A C36A . . . . 125.6(3)
C2A B3A C31A C32A . . . . 130.7(3)
C4A B3A C31A C32A . . . . -49.8(3)
C36A C31A C32A F32A . . . . 178.5(2)
B3A C31A C32A F32A . . . . -5.8(4)
C36A C31A C32A C33A . . . . -0.5(4)
B3A C31A C32A C33A . . . . 175.2(2)
F32A C32A C33A F33A . . . . 0.2(4)
C31A C32A C33A F33A . . . . 179.2(2)
F32A C32A C33A C34A . . . . -179.9(2)
C31A C32A C33A C34A . . . . -0.9(4)
F33A C33A C34A F34A . . . . 0.6(4)
C32A C33A C34A F34A . . . . -179.3(2)
F33A C33A C34A C35A . . . . -179.2(2)
C32A C33A C34A C35A . . . . 0.9(4)
F34A C34A C35A F35A . . . . 0.9(4)
C33A C34A C35A F35A . . . . -179.3(2)
F34A C34A C35A C36A . . . . -179.2(2)
C33A C34A C35A C36A . . . . 0.6(4)
F35A C35A C36A F36A . . . . -0.1(4)
C34A C35A C36A F36A . . . . 179.9(2)
F35A C35A C36A C31A . . . . 177.7(2)
C34A C35A C36A C31A . . . . -2.3(4)
C32A C31A C36A F36A . . . . 179.9(2)
B3A C31A C36A F36A . . . . 4.1(4)
C32A C31A C36A C35A . . . . 2.1(4)
B3A C31A C36A C35A . . . . -173.6(2)
C16B Si2B C8B C7B . . . . 59.7(2)
C14B Si2B C8B C7B . . . . 179.82(19)
C15B Si2B C8B C7B . . . . -62.5(2)
C16B Si2B C8B C9B . . . . -60.9(2)
C14B Si2B C8B C9B . . . . 59.19(19)
C15B Si2B C8B C9B . . . . 176.84(18)
C9B C8B C7B C6B . . . . -8.8(3)
Si2B C8B C7B C6B . . . . -133.4(2)
C9B C8B C7B C21B . . . . 169.7(2)
Si2B C8B C7B C21B . . . . 45.1(3)
C21B C7B C6B C5B . . . . 9.4(4)
C8B C7B C6B C5B . . . . -172.2(2)
C21B C7B C6B C1B . . . . -170.6(2)
C8B C7B C6B C1B . . . . 7.8(3)
C7B C6B C5B C4B . . . . -140.8(3)
C1B C6B C5B C4B . . . . 39.2(3)
C7B C6B C5B Si1B . . . . 55.1(3)
C1B C6B C5B Si1B . . . . -124.9(2)
C6B C5B C4B C41B . . . . -179.8(2)
Si1B C5B C4B C41B . . . . -16.6(3)
C6B C5B C4B B3B . . . . -5.1(3)
Si1B C5B C4B B3B . . . . 158.00(18)
C2B B3B C4B C5B . . . . -4.1(4)
C31B B3B C4B C5B . . . . -179.8(2)
C2B B3B C4B C41B . . . . 170.6(2)
C31B B3B C4B C41B . . . . -5.2(3)
C4B B3B C2B C1B . . . . -18.0(3)
C31B B3B C2B C1B . . . . 157.6(2)
C7B C6B C1B C9B . . . . -3.2(3)
C5B C6B C1B C9B . . . . 176.8(2)
C7B C6B C1B C2B . . . . 120.5(2)
C5B C6B C1B C2B . . . . -59.5(3)
B3B C2B C1B C6B . . . . 45.8(3)
B3B C2B C1B C9B . . . . 162.2(2)
C6B C1B C9B C8B . . . . -2.4(3)
C2B C1B C9B C8B . . . . -120.5(2)
C7B C8B C9B C1B . . . . 6.3(3)
Si2B C8B C9B C1B . . . . 137.22(18)
C6B C7B C21B C22B . . . . -129.6(3)
C8B C7B C21B C22B . . . . 52.1(3)
C6B C7B C21B C26B . . . . 52.9(4)
C8B C7B C21B C26B . . . . -125.4(3)
C26B C21B C22B F22B . . . . 179.8(2)
C7B C21B C22B F22B . . . . 2.2(4)
C26B C21B C22B C23B . . . . -1.6(4)
C7B C21B C22B C23B . . . . -179.2(2)
F22B C22B C23B F23B . . . . 0.1(4)
C21B C22B C23B F23B . . . . -178.5(2)
F22B C22B C23B C24B . . . . -179.6(2)
C21B C22B C23B C24B . . . . 1.8(4)
F23B C23B C24B F24B . . . . -1.0(4)
C22B C23B C24B F24B . . . . 178.7(2)
F23B C23B C24B C25B . . . . 179.3(2)
C22B C23B C24B C25B . . . . -1.0(4)
F24B C24B C25B F25B . . . . 0.4(4)
C23B C24B C25B F25B . . . . -179.8(3)
F24B C24B C25B C26B . . . . -179.5(2)
C23B C24B C25B C26B . . . . 0.2(4)
F25B C25B C26B F26B . . . . -1.7(4)
C24B C25B C26B F26B . . . . 178.3(2)
F25B C25B C26B C21B . . . . 179.9(2)
C24B C25B C26B C21B . . . . -0.1(4)
C22B C21B C26B F26B . . . . -177.5(2)
C7B C21B C26B F26B . . . . 0.1(4)
C22B C21B C26B C25B . . . . 0.8(4)
C7B C21B C26B C25B . . . . 178.4(2)
C5B C4B C41B C46B . . . . 114.0(3)
B3B C4B C41B C46B . . . . -60.6(3)
C5B C4B C41B C42B . . . . -66.2(3)
B3B C4B C41B C42B . . . . 119.1(3)
C46B C41B C42B F42B . . . . 177.0(2)
C4B C41B C42B F42B . . . . -2.8(3)
C46B C41B C42B C43B . . . . -3.5(3)
C4B C41B C42B C43B . . . . 176.8(2)
F42B C42B C43B F43B . . . . 1.3(3)
C41B C42B C43B F43B . . . . -178.3(2)
F42B C42B C43B C44B . . . . -178.3(2)
C41B C42B C43B C44B . . . . 2.1(4)
F43B C43B C44B F44B . . . . 0.7(4)
C42B C43B C44B F44B . . . . -179.8(2)
F43B C43B C44B C45B . . . . -179.5(2)
C42B C43B C44B C45B . . . . 0.0(4)
F44B C44B C45B F45B . . . . 0.7(4)
C43B C44B C45B F45B . . . . -179.1(2)
F44B C44B C45B C46B . . . . 179.2(2)
C43B C44B C45B C46B . . . . -0.6(4)
F45B C45B C46B F46B . . . . 1.0(4)
C44B C45B C46B F46B . . . . -177.4(2)
F45B C45B C46B C41B . . . . 177.6(2)
C44B C45B C46B C41B . . . . -0.9(4)
C42B C41B C46B F46B . . . . 179.3(2)
C4B C41B C46B F46B . . . . -0.9(3)
C42B C41B C46B C45B . . . . 2.8(4)
C4B C41B C46B C45B . . . . -177.4(2)
C4B B3B C31B C36B . . . . 118.9(3)
C2B B3B C31B C36B . . . . -56.6(3)
C4B B3B C31B C32B . . . . -53.6(3)
C2B B3B C31B C32B . . . . 130.8(3)
C36B C31B C32B F32B . . . . 179.4(2)
B3B C31B C32B F32B . . . . -7.7(4)
C36B C31B C32B C33B . . . . 0.0(4)
B3B C31B C32B C33B . . . . 172.9(2)
F32B C32B C33B F33B . . . . 0.4(4)
C31B C32B C33B F33B . . . . 179.8(2)
F32B C32B C33B C34B . . . . 179.4(2)
C31B C32B C33B C34B . . . . -1.2(4)
F33B C33B C34B F34B . . . . 0.5(4)
C32B C33B C34B F34B . . . . -178.5(2)
F33B C33B C34B C35B . . . . -179.7(2)
C32B C33B C34B C35B . . . . 1.2(4)
F34B C34B C35B F35B . . . . 0.3(4)
C33B C34B C35B F35B . . . . -179.4(2)
F34B C34B C35B C36B . . . . 179.7(2)
C33B C34B C35B C36B . . . . -0.1(4)
C32B C31B C36B F36B . . . . 179.4(2)
B3B C31B C36B F36B . . . . 6.2(3)
C32B C31B C36B C35B . . . . 1.2(3)
B3B C31B C36B C35B . . . . -172.0(2)
F35B C35B C36B F36B . . . . -0.1(3)
C34B C35B C36B F36B . . . . -179.4(2)
F35B C35B C36B C31B . . . . 178.1(2)
C34B C35B C36B C31B . . . . -1.2(4)
