#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:22:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178622 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/33/4073315.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_4073315
loop_
_publ_author_name
'Panisch, Robin'
'Bolte, Michael'
'Müller, Thomas'
_publ_section_title
;
 Structure and Bonding in Bissilylated Arenium Ions†
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3524
_journal_paper_doi               10.1021/om0702375
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C83 H35 B F41 Si2'
_chemical_formula_weight         1878.10
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.468(10)
_cell_angle_beta                 98.749(10)
_cell_angle_gamma                90.850(9)
_cell_formula_units_Z            2
_cell_length_a                   13.1319(15)
_cell_length_b                   13.4079(15)
_cell_length_c                   22.577(3)
_cell_measurement_reflns_used    16954
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      3.5
_cell_volume                     3926.9(8)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997) '
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990) '
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0834
_diffrn_reflns_av_sigmaI/netI    0.1481
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            50932
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.80
_diffrn_reflns_theta_min         3.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.189
_exptl_absorpt_correction_T_max  0.9758
_exptl_absorpt_correction_T_min  0.9163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1870
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1152
_refine_ls_number_reflns         14806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.1793
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0770P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1602
_refine_ls_wR_factor_ref         0.2001
_reflns_number_gt                6767
_reflns_number_total             14806
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om0702375-file001.cif
_cod_data_source_block           au91
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4073315
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Si1 Si 0.58715(12) 0.52914(10) 0.40777(7) 0.0381(4) Uani 1 1 d .
H1 H 0.560(3) 0.437(3) 0.4325(18) 0.015(10) Uiso 1 1 d .
Si2 Si 0.46402(11) 0.45838(10) 0.29085(7) 0.0351(3) Uani 1 1 d .
C1 C 0.4899(4) 0.6311(4) 0.4012(3) 0.0417(13) Uani 1 1 d .
C2 C 0.5002(5) 0.6974(5) 0.4492(3) 0.0584(17) Uani 1 1 d .
H2 H 0.5527 0.6873 0.4822 0.070 Uiso 1 1 calc R
C3 C 0.4351(5) 0.7805(5) 0.4511(4) 0.078(2) Uani 1 1 d .
H3 H 0.4426 0.8245 0.4852 0.094 Uiso 1 1 calc R
C4 C 0.3608(5) 0.7956(5) 0.4023(4) 0.073(2) Uani 1 1 d .
H4 H 0.3184 0.8524 0.4026 0.087 Uiso 1 1 calc R
C5 C 0.3455(4) 0.7299(4) 0.3520(3) 0.0549(17) Uani 1 1 d .
C6 C 0.4104(4) 0.6435(4) 0.3506(3) 0.0388(13) Uani 1 1 d .
C7 C 0.3935(4) 0.5780(4) 0.2993(3) 0.0382(13) Uani 1 1 d .
C8 C 0.3140(4) 0.5970(4) 0.2525(3) 0.0472(15) Uani 1 1 d .
H8 H 0.3017 0.5526 0.2186 0.057 Uiso 1 1 calc R
C9 C 0.2510(5) 0.6828(5) 0.2553(3) 0.0579(18) Uani 1 1 d .
H9 H 0.1967 0.6942 0.2234 0.069 Uiso 1 1 calc R
C10 C 0.2674(4) 0.7471(4) 0.3022(4) 0.0593(19) Uani 1 1 d .
H10 H 0.2266 0.8050 0.3023 0.071 Uiso 1 1 calc R
C11 C 0.7144(4) 0.5686(4) 0.4504(2) 0.0379(12) Uani 1 1 d .
C12 C 0.7659(4) 0.6574(4) 0.4410(2) 0.0399(13) Uani 1 1 d .
H12 H 0.7358 0.6999 0.4104 0.048 Uiso 1 1 calc R
C13 C 0.8588(4) 0.6853(4) 0.4746(3) 0.0446(14) Uani 1 1 d .
H13 H 0.8910 0.7466 0.4670 0.054 Uiso 1 1 calc R
C14 C 0.9066(5) 0.6243(5) 0.5198(3) 0.0531(16) Uani 1 1 d .
C15 C 0.8581(6) 0.5363(5) 0.5282(3) 0.065(2) Uani 1 1 d .
H15 H 0.8902 0.4933 0.5580 0.078 Uiso 1 1 calc R
C16 C 0.7644(5) 0.5066(4) 0.4954(3) 0.0539(16) Uani 1 1 d .
H16 H 0.7335 0.4447 0.5031 0.065 Uiso 1 1 calc R
C17 C 1.0059(6) 0.6582(7) 0.5601(4) 0.091(3) Uani 1 1 d .
H17A H 0.9943 0.6609 0.6019 0.137 Uiso 1 1 calc R
H17B H 1.0266 0.7246 0.5485 0.137 Uiso 1 1 calc R
H17C H 1.0606 0.6109 0.5555 0.137 Uiso 1 1 calc R
C21 C 0.6094(4) 0.4905(3) 0.3248(2) 0.0347(12) Uani 1 1 d .
C22 C 0.6511(4) 0.5765(3) 0.2990(2) 0.0309(11) Uani 1 1 d .
H22 H 0.6100 0.6341 0.2923 0.037 Uiso 1 1 calc R
C23 C 0.7477(4) 0.5776(4) 0.2839(3) 0.0395(13) Uani 1 1 d .
H23 H 0.7739 0.6362 0.2682 0.047 Uiso 1 1 calc R
C24 C 0.8093(4) 0.4913(4) 0.2914(3) 0.0448(14) Uani 1 1 d .
C25 C 0.7721(4) 0.4069(4) 0.3164(3) 0.0440(14) Uani 1 1 d .
H25 H 0.8143 0.3501 0.3229 0.053 Uiso 1 1 calc R
C26 C 0.6747(4) 0.4050(4) 0.3317(2) 0.0351(12) Uani 1 1 d .
H26 H 0.6499 0.3458 0.3473 0.042 Uiso 1 1 calc R
C27 C 0.9146(5) 0.4913(5) 0.2722(4) 0.078(2) Uani 1 1 d .
H27A H 0.9669 0.4780 0.3068 0.117 Uiso 1 1 calc R
H27B H 0.9288 0.5565 0.2563 0.117 Uiso 1 1 calc R
H27C H 0.9164 0.4394 0.2411 0.117 Uiso 1 1 calc R
C31 C 0.4591(4) 0.4206(4) 0.2105(3) 0.0389(13) Uani 1 1 d .
C32 C 0.5161(5) 0.4689(4) 0.1708(3) 0.0480(14) Uani 1 1 d .
H32 H 0.5645 0.5202 0.1859 0.058 Uiso 1 1 calc R
C33 C 0.5022(5) 0.4423(5) 0.1099(3) 0.0587(17) Uani 1 1 d .
H33 H 0.5422 0.4757 0.0846 0.070 Uiso 1 1 calc R
C34 C 0.4321(5) 0.3687(5) 0.0853(3) 0.0539(16) Uani 1 1 d .
C35 C 0.3765(5) 0.3195(5) 0.1243(3) 0.0538(16) Uani 1 1 d .
H35 H 0.3283 0.2682 0.1089 0.065 Uiso 1 1 calc R
C36 C 0.3904(4) 0.3445(4) 0.1855(3) 0.0490(15) Uani 1 1 d .
H36 H 0.3521 0.3089 0.2109 0.059 Uiso 1 1 calc R
C37 C 0.4188(6) 0.3418(6) 0.0189(3) 0.083(2) Uani 1 1 d .
H37A H 0.3666 0.3844 -0.0029 0.125 Uiso 1 1 calc R
H37B H 0.3966 0.2717 0.0125 0.125 Uiso 1 1 calc R
H37C H 0.4845 0.3518 0.0041 0.125 Uiso 1 1 calc R
C41 C 0.4179(4) 0.3547(4) 0.3347(2) 0.0371(12) Uani 1 1 d .
C42 C 0.3414(4) 0.3681(4) 0.3711(3) 0.0479(14) Uani 1 1 d .
H42 H 0.3115 0.4318 0.3738 0.057 Uiso 1 1 calc R
C43 C 0.3086(5) 0.2909(4) 0.4032(3) 0.0511(15) Uani 1 1 d .
H43 H 0.2575 0.3036 0.4279 0.061 Uiso 1 1 calc R
C44 C 0.3473(5) 0.1954(4) 0.4009(3) 0.0501(15) Uani 1 1 d .
C45 C 0.4231(4) 0.1798(4) 0.3634(3) 0.0454(14) Uani 1 1 d .
H45 H 0.4518 0.1156 0.3605 0.054 Uiso 1 1 calc R
C46 C 0.4559(4) 0.2568(4) 0.3311(2) 0.0403(13) Uani 1 1 d .
H46 H 0.5057 0.2437 0.3055 0.048 Uiso 1 1 calc R
C47 C 0.3102(6) 0.1121(5) 0.4363(3) 0.072(2) Uani 1 1 d .
H47A H 0.3225 0.1309 0.4791 0.108 Uiso 1 1 calc R
H47B H 0.3478 0.0513 0.4296 0.108 Uiso 1 1 calc R
H47C H 0.2363 0.1001 0.4234 0.108 Uiso 1 1 calc R
B1 B 0.0757(4) 0.0317(4) 0.7151(3) 0.0324(13) Uani 1 1 d .
C51 C 0.1159(4) 0.0906(3) 0.7798(2) 0.0366(12) Uani 1 1 d .
C52 C 0.0430(4) 0.1307(4) 0.8124(3) 0.0455(14) Uani 1 1 d .
C53 C 0.0670(6) 0.1730(5) 0.8709(4) 0.068(2) Uani 1 1 d .
C54 C 0.1663(7) 0.1766(5) 0.8977(3) 0.072(2) Uani 1 1 d .
C55 C 0.2421(5) 0.1359(5) 0.8691(3) 0.0604(17) Uani 1 1 d .
C56 C 0.2150(4) 0.0951(4) 0.8121(3) 0.0431(13) Uani 1 1 d .
F52 F -0.0579(2) 0.1305(2) 0.78693(17) 0.0590(9) Uani 1 1 d .
F53 F -0.0105(4) 0.2106(3) 0.8990(2) 0.0933(14) Uani 1 1 d .
F54 F 0.1905(4) 0.2180(4) 0.9545(2) 0.1060(16) Uani 1 1 d .
F55 F 0.3411(3) 0.1379(3) 0.89702(18) 0.0848(13) Uani 1 1 d .
F56 F 0.2959(2) 0.0564(2) 0.78770(14) 0.0499(8) Uani 1 1 d .
C61 C 0.0060(4) 0.1009(4) 0.6643(3) 0.0384(13) Uani 1 1 d .
C62 C -0.0034(4) 0.2058(4) 0.6692(3) 0.0477(16) Uani 1 1 d .
C63 C -0.0606(5) 0.2596(5) 0.6239(4) 0.0626(19) Uani 1 1 d .
C64 C -0.1065(5) 0.2131(6) 0.5733(4) 0.070(2) Uani 1 1 d .
C65 C -0.0978(5) 0.1096(6) 0.5646(3) 0.067(2) Uani 1 1 d .
C66 C -0.0410(4) 0.0578(4) 0.6119(3) 0.0463(15) Uani 1 1 d .
F62 F 0.0403(3) 0.2602(2) 0.71632(19) 0.0620(10) Uani 1 1 d .
F63 F -0.0698(3) 0.3591(3) 0.6299(2) 0.0987(17) Uani 1 1 d .
F64 F -0.1657(3) 0.2625(4) 0.5279(2) 0.115(2) Uani 1 1 d .
F65 F -0.1429(3) 0.0608(4) 0.51486(19) 0.0977(16) Uani 1 1 d .
F66 F -0.0342(3) -0.0425(3) 0.60177(15) 0.0582(9) Uani 1 1 d .
C71 C 0.0101(4) -0.0645(4) 0.7359(2) 0.0338(12) Uani 1 1 d .
C72 C -0.0955(4) -0.0771(4) 0.7288(2) 0.0396(13) Uani 1 1 d .
C73 C -0.1468(4) -0.1546(4) 0.7522(3) 0.0504(16) Uani 1 1 d .
C74 C -0.0903(5) -0.2245(4) 0.7867(3) 0.0551(17) Uani 1 1 d .
C75 C 0.0147(5) -0.2141(4) 0.7969(3) 0.0489(16) Uani 1 1 d .
C76 C 0.0621(4) -0.1361(4) 0.7731(3) 0.0407(13) Uani 1 1 d .
F72 F -0.1598(2) -0.0128(2) 0.69563(15) 0.0520(9) Uani 1 1 d .
F73 F -0.2506(2) -0.1619(3) 0.74349(18) 0.0685(11) Uani 1 1 d .
F74 F -0.1388(3) -0.2998(3) 0.8111(2) 0.0829(13) Uani 1 1 d .
F75 F 0.0705(3) -0.2803(3) 0.83306(19) 0.0768(13) Uani 1 1 d .
F76 F 0.1665(2) -0.1287(2) 0.78668(14) 0.0486(8) Uani 1 1 d .
C81 C 0.1718(4) 0.0008(3) 0.6780(2) 0.0337(12) Uani 1 1 d .
C82 C 0.2356(4) 0.0750(3) 0.6607(2) 0.0314(11) Uani 1 1 d .
C83 C 0.3095(4) 0.0616(4) 0.6237(2) 0.0365(12) Uani 1 1 d .
C84 C 0.3222(4) -0.0329(4) 0.6011(2) 0.0440(14) Uani 1 1 d .
C85 C 0.2625(5) -0.1105(4) 0.6162(3) 0.0449(14) Uani 1 1 d .
C86 C 0.1900(4) -0.0926(3) 0.6534(2) 0.0354(12) Uani 1 1 d .
F82 F 0.2261(2) 0.17124(19) 0.68137(14) 0.0406(7) Uani 1 1 d .
F83 F 0.3668(2) 0.1392(2) 0.60890(15) 0.0499(8) Uani 1 1 d .
F84 F 0.3919(3) -0.0475(3) 0.56282(15) 0.0637(10) Uani 1 1 d .
F85 F 0.2739(3) -0.2041(2) 0.59340(17) 0.0704(11) Uani 1 1 d .
F86 F 0.1317(3) -0.1742(2) 0.66335(16) 0.0545(9) Uani 1 1 d .
C101 C -0.0244(9) 0.5917(6) 0.9427(5) 0.085(3) Uani 1 1 d .
C102 C -0.0563(9) 0.5254(7) 0.8995(4) 0.087(3) Uani 1 1 d .
C103 C 0.0088(10) 0.4668(7) 0.8778(4) 0.091(3) Uani 1 1 d .
C104 C 0.1137(10) 0.4720(6) 0.9001(5) 0.099(3) Uani 1 1 d .
C105 C 0.1479(9) 0.5370(7) 0.9468(5) 0.092(3) Uani 1 1 d .
C106 C 0.0787(11) 0.5985(6) 0.9672(4) 0.090(3) Uani 1 1 d .
F101 F -0.0905(6) 0.6519(5) 0.9654(3) 0.151(3) Uani 1 1 d .
F102 F -0.1580(5) 0.5167(5) 0.8770(3) 0.137(2) Uani 1 1 d .
F103 F -0.0205(7) 0.3960(5) 0.8333(3) 0.158(3) Uani 1 1 d .
F104 F 0.1818(6) 0.4118(4) 0.8798(4) 0.166(3) Uani 1 1 d .
F105 F 0.2475(5) 0.5418(4) 0.9715(3) 0.142(2) Uani 1 1 d .
F106 F 0.1107(6) 0.6649(4) 1.0133(3) 0.144(2) Uani 1 1 d .
C201 C 0.6931(6) 0.1000(6) 0.8311(4) 0.073(2) Uani 1 1 d .
C202 C 0.6848(6) 0.1672(6) 0.8760(3) 0.0658(19) Uani 1 1 d .
C203 C 0.6032(6) 0.2292(5) 0.8726(3) 0.0662(19) Uani 1 1 d .
C204 C 0.5278(6) 0.2233(5) 0.8217(4) 0.069(2) Uani 1 1 d .
C205 C 0.5386(6) 0.1575(6) 0.7763(3) 0.0659(19) Uani 1 1 d .
C206 C 0.6203(7) 0.0969(6) 0.7798(4) 0.073(2) Uani 1 1 d .
F201 F 0.7737(4) 0.0369(4) 0.8361(3) 0.1160(18) Uani 1 1 d .
F202 F 0.7574(4) 0.1709(4) 0.9253(2) 0.1080(16) Uani 1 1 d .
F203 F 0.5943(5) 0.2951(3) 0.9174(2) 0.1099(17) Uani 1 1 d .
F204 F 0.4460(4) 0.2837(3) 0.8181(2) 0.1071(17) Uani 1 1 d .
F205 F 0.4668(4) 0.1556(4) 0.7267(2) 0.1105(18) Uani 1 1 d .
F206 F 0.6290(5) 0.0320(4) 0.7345(3) 0.1171(18) Uani 1 1 d .
C301 C 0.5883(7) 0.1336(6) 0.0700(3) 0.077(2) Uani 1 1 d .
C302 C 0.6524(6) 0.2157(5) 0.0845(3) 0.0660(19) Uani 1 1 d .
C303 C 0.6704(4) 0.2526(4) 0.1418(3) 0.0513(16) Uani 1 1 d .
C304 C 0.6260(4) 0.2049(4) 0.1858(3) 0.0452(14) Uani 1 1 d .
C305 C 0.5624(5) 0.1238(4) 0.1711(3) 0.0528(16) Uani 1 1 d .
C306 C 0.5433(6) 0.0879(5) 0.1133(3) 0.0686(19) Uani 1 1 d .
F301 F 0.5694(5) 0.1007(4) 0.0123(2) 0.127(2) Uani 1 1 d .
F302 F 0.6968(4) 0.2608(4) 0.0420(2) 0.1079(17) Uani 1 1 d .
F303 F 0.7306(3) 0.3339(3) 0.15710(19) 0.0740(11) Uani 1 1 d .
F304 F 0.6466(3) 0.2377(3) 0.24303(18) 0.0674(10) Uani 1 1 d .
F305 F 0.5194(4) 0.0790(3) 0.2139(2) 0.0847(13) Uani 1 1 d .
F306 F 0.4793(4) 0.0085(3) 0.0990(2) 0.1091(17) Uani 1 1 d .
C401 C 0.057(2) -0.0547(14) -0.0363(8) 0.149(7) Uani 1 1 d .
C402 C 0.1043(15) 0.0115(13) 0.0069(8) 0.136(5) Uani 1 1 d .
C403 C 0.047(2) 0.0677(10) 0.0420(6) 0.140(6) Uani 1 1 d .
F401 F 0.1064(8) -0.1130(7) -0.0712(4) 0.199(4) Uani 1 1 d .
F402 F 0.2081(9) 0.0182(7) 0.0107(4) 0.196(4) Uani 1 1 d .
F403 F 0.1020(9) 0.1312(7) 0.0824(4) 0.194(4) Uani 1 1 d .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C11 Si1 C1 113.3(2) . .
C11 Si1 C21 107.3(2) . .
C1 Si1 C21 107.3(2) . .
C11 Si1 H1 106.3(15) . .
C1 Si1 H1 117.8(15) . .
C21 Si1 H1 103.9(16) . .
C31 Si2 C41 111.3(2) . .
C31 Si2 C7 111.4(2) . .
C41 Si2 C7 112.7(2) . .
C31 Si2 C21 108.2(2) . .
C41 Si2 C21 108.1(2) . .
C7 Si2 C21 104.8(2) . .
C2 C1 C6 120.4(5) . .
C2 C1 Si1 114.7(4) . .
C6 C1 Si1 124.9(4) . .
C1 C2 C3 122.3(7) . .
C1 C2 H2 118.9 . .
C3 C2 H2 118.9 . .
C4 C3 C2 118.3(7) . .
C4 C3 H3 120.9 . .
C2 C3 H3 120.9 . .
C3 C4 C5 122.2(6) . .
C3 C4 H4 118.9 . .
C5 C4 H4 118.9 . .
C4 C5 C10 121.1(6) . .
C4 C5 C6 119.5(6) . .
C10 C5 C6 119.4(6) . .
C7 C6 C1 124.2(4) . .
C7 C6 C5 118.6(5) . .
C1 C6 C5 117.2(5) . .
C8 C7 C6 119.6(5) . .
C8 C7 Si2 115.3(4) . .
C6 C7 Si2 124.9(4) . .
C7 C8 C9 120.6(6) . .
C7 C8 H8 119.7 . .
C9 C8 H8 119.7 . .
C10 C9 C8 120.9(6) . .
C10 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
C9 C10 C5 120.9(5) . .
C9 C10 H10 119.5 . .
C5 C10 H10 119.5 . .
C12 C11 C16 116.5(5) . .
C12 C11 Si1 124.0(4) . .
C16 C11 Si1 119.6(4) . .
C13 C12 C11 122.2(5) . .
C13 C12 H12 118.9 . .
C11 C12 H12 118.9 . .
C12 C13 C14 120.8(6) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C15 C14 C13 117.3(6) . .
C15 C14 C17 121.6(6) . .
C13 C14 C17 121.0(6) . .
C14 C15 C16 123.1(5) . .
C14 C15 H15 118.5 . .
C16 C15 H15 118.5 . .
C15 C16 C11 120.0(6) . .
C15 C16 H16 120.0 . .
C11 C16 H16 120.0 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C26 C21 C22 115.9(4) . .
C26 C21 Si2 114.2(4) . .
C22 C21 Si2 113.7(3) . .
C26 C21 Si1 105.1(3) . .
C22 C21 Si1 107.8(4) . .
Si2 C21 Si1 98.0(2) . .
C23 C22 C21 121.9(4) . .
C23 C22 H22 119.0 . .
C21 C22 H22 119.0 . .
C22 C23 C24 120.1(5) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C25 C24 C23 119.7(5) . .
C25 C24 C27 120.3(5) . .
C23 C24 C27 120.0(5) . .
C26 C25 C24 120.6(4) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C21 121.7(5) . .
C25 C26 H26 119.1 . .
C21 C26 H26 119.1 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C36 C31 C32 116.5(5) . .
C36 C31 Si2 119.4(4) . .
C32 C31 Si2 123.9(4) . .
C33 C32 C31 121.0(6) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C34 C33 C32 122.2(6) . .
C34 C33 H33 118.9 . .
C32 C33 H33 118.9 . .
C33 C34 C35 117.2(6) . .
C33 C34 C37 120.8(7) . .
C35 C34 C37 122.0(7) . .
C36 C35 C34 121.3(6) . .
C36 C35 H35 119.4 . .
C34 C35 H35 119.4 . .
C35 C36 C31 121.8(6) . .
C35 C36 H36 119.1 . .
C31 C36 H36 119.1 . .
C34 C37 H37A 109.5 . .
C34 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C34 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C42 C41 C46 116.1(5) . .
C42 C41 Si2 122.4(4) . .
C46 C41 Si2 121.5(4) . .
C43 C42 C41 121.5(5) . .
C43 C42 H42 119.2 . .
C41 C42 H42 119.2 . .
C42 C43 C44 122.6(6) . .
C42 C43 H43 118.7 . .
C44 C43 H43 118.7 . .
C43 C44 C45 116.7(5) . .
C43 C44 C47 121.7(6) . .
C45 C44 C47 121.6(6) . .
C46 C45 C44 120.9(5) . .
C46 C45 H45 119.6 . .
C44 C45 H45 119.6 . .
C45 C46 C41 122.1(5) . .
C45 C46 H46 119.0 . .
C41 C46 H46 119.0 . .
C44 C47 H47A 109.5 . .
C44 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C44 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C51 B1 C71 102.1(4) . .
C51 B1 C61 114.4(4) . .
C71 B1 C61 113.2(4) . .
C51 B1 C81 113.0(4) . .
C71 B1 C81 114.6(4) . .
C61 B1 C81 100.1(4) . .
C56 C51 C52 112.3(5) . .
C56 C51 B1 128.0(5) . .
C52 C51 B1 119.0(5) . .
F52 C52 C51 119.1(5) . .
F52 C52 C53 116.8(5) . .
C51 C52 C53 124.1(6) . .
C54 C53 F53 121.4(7) . .
C54 C53 C52 119.1(6) . .
F53 C53 C52 119.5(7) . .
C53 C54 F54 119.5(7) . .
C53 C54 C55 120.1(7) . .
F54 C54 C55 120.3(7) . .
F55 C55 C54 119.7(6) . .
F55 C55 C56 121.6(6) . .
C54 C55 C56 118.7(6) . .
F56 C56 C55 114.2(5) . .
F56 C56 C51 120.3(5) . .
C55 C56 C51 125.5(6) . .
C66 C61 C62 115.2(5) . .
C66 C61 B1 119.8(5) . .
C62 C61 B1 124.8(5) . .
F62 C62 C63 114.9(6) . .
F62 C62 C61 123.3(5) . .
C63 C62 C61 121.7(7) . .
C64 C63 F63 118.9(6) . .
C64 C63 C62 120.5(6) . .
F63 C63 C62 120.6(8) . .
C63 C64 F64 122.6(7) . .
C63 C64 C65 120.9(5) . .
F64 C64 C65 116.5(8) . .
F65 C65 C64 122.4(6) . .
F65 C65 C66 120.8(7) . .
C64 C65 C66 116.8(7) . .
C61 C66 F66 120.1(4) . .
C61 C66 C65 124.8(6) . .
F66 C66 C65 115.1(6) . .
C72 C71 C76 112.6(5) . .
C72 C71 B1 127.2(4) . .
C76 C71 B1 119.4(4) . .
F72 C72 C71 121.4(4) . .
F72 C72 C73 113.8(4) . .
C71 C72 C73 124.8(4) . .
F73 C73 C74 119.2(5) . .
F73 C73 C72 121.5(4) . .
C74 C73 C72 119.3(5) . .
F74 C74 C75 121.2(5) . .
F74 C74 C73 120.3(6) . .
C75 C74 C73 118.5(5) . .
F75 C75 C74 118.6(5) . .
F75 C75 C76 121.1(5) . .
C74 C75 C76 120.3(4) . .
F76 C76 C75 117.0(4) . .
F76 C76 C71 118.6(4) . .
C75 C76 C71 124.4(5) . .
C82 C81 C86 112.1(5) . .
C82 C81 B1 119.9(4) . .
C86 C81 B1 127.4(5) . .
F82 C82 C83 115.5(4) . .
F82 C82 C81 118.6(4) . .
C83 C82 C81 125.9(5) . .
F83 C83 C84 120.4(5) . .
F83 C83 C82 121.3(5) . .
C84 C83 C82 118.3(5) . .
F84 C84 C85 121.1(5) . .
F84 C84 C83 119.4(5) . .
C85 C84 C83 119.5(5) . .
F85 C85 C84 119.7(5) . .
F85 C85 C86 120.6(5) . .
C84 C85 C86 119.7(5) . .
F86 C86 C85 114.8(4) . .
F86 C86 C81 120.5(5) . .
C85 C86 C81 124.6(5) . .
C102 C101 F101 121.5(11) . .
C102 C101 C106 120.2(9) . .
F101 C101 C106 118.3(11) . .
C103 C102 C101 121.1(11) . .
C103 C102 F102 118.9(11) . .
C101 C102 F102 120.0(10) . .
C102 C103 F103 123.3(12) . .
C102 C103 C104 120.9(10) . .
F103 C103 C104 115.8(11) . .
F104 C104 C105 118.5(12) . .
F104 C104 C103 122.3(11) . .
C105 C104 C103 119.1(9) . .
F105 C105 C106 120.3(11) . .
F105 C105 C104 121.3(11) . .
C106 C105 C104 118.4(10) . .
C105 C106 F106 119.8(12) . .
C105 C106 C101 120.2(9) . .
F106 C106 C101 120.0(11) . .
C202 C201 F201 120.0(8) . .
C202 C201 C206 120.0(7) . .
F201 C201 C206 120.1(8) . .
F202 C202 C201 119.5(7) . .
F202 C202 C203 119.6(8) . .
C201 C202 C203 120.8(7) . .
F203 C203 C202 120.9(7) . .
F203 C203 C204 120.1(7) . .
C202 C203 C204 119.0(7) . .
F204 C204 C205 121.1(7) . .
F204 C204 C203 119.4(8) . .
C205 C204 C203 119.5(7) . .
F205 C205 C206 120.3(8) . .
F205 C205 C204 118.5(8) . .
C206 C205 C204 121.2(7) . .
F206 C206 C205 120.2(8) . .
F206 C206 C201 120.4(8) . .
C205 C206 C201 119.4(7) . .
F301 C301 C306 121.0(7) . .
F301 C301 C302 118.7(8) . .
C306 C301 C302 120.3(7) . .
F302 C302 C303 119.5(7) . .
F302 C302 C301 120.4(7) . .
C303 C302 C301 120.1(7) . .
F303 C303 C302 121.5(6) . .
F303 C303 C304 119.1(6) . .
C302 C303 C304 119.4(6) . .
F304 C304 C305 119.7(6) . .
F304 C304 C303 120.1(6) . .
C305 C304 C303 120.2(6) . .
F305 C305 C306 120.2(6) . .
F305 C305 C304 119.5(6) . .
C306 C305 C304 120.3(6) . .
F306 C306 C305 119.9(6) . .
F306 C306 C301 120.4(7) . .
C305 C306 C301 119.7(7) . .
F401 C401 C403 117(2) . 2
F401 C401 C402 125(2) . .
C403 C401 C402 118.5(17) 2 .
F402 C402 C401 115(2) . .
F402 C402 C403 124(2) . .
C401 C402 C403 120.9(17) . .
F403 C403 C401 124(2) . 2
F403 C403 C402 116(3) . .
C401 C403 C402 120.5(18) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C11 1.859(6) .
Si1 C1 1.878(5) .
Si1 C21 1.996(6) .
Si1 H1 1.43(4) .
Si2 C31 1.862(6) .
Si2 C41 1.874(5) .
Si2 C7 1.884(5) .
Si2 C21 1.982(5) .
C1 C2 1.372(8) .
C1 C6 1.441(8) .
C2 C3 1.418(9) .
C2 H2 0.9500 .
C3 C4 1.378(11) .
C3 H3 0.9500 .
C4 C5 1.407(10) .
C4 H4 0.9500 .
C5 C10 1.429(10) .
C5 C6 1.451(7) .
C6 C7 1.423(8) .
C7 C8 1.398(8) .
C8 C9 1.433(8) .
C8 H8 0.9500 .
C9 C10 1.337(10) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.396(7) .
C11 C16 1.419(7) .
C12 C13 1.376(8) .
C12 H12 0.9500 .
C13 C14 1.403(8) .
C13 H13 0.9500 .
C14 C15 1.365(9) .
C14 C17 1.528(9) .
C15 C16 1.383(9) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C21 C26 1.439(6) .
C21 C22 1.444(7) .
C22 C23 1.363(7) .
C22 H22 0.9500 .
C23 C24 1.421(7) .
C23 H23 0.9500 .
C24 C25 1.393(8) .
C24 C27 1.510(8) .
C25 C26 1.374(7) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C31 C36 1.401(8) .
C31 C32 1.415(8) .
C32 C33 1.396(9) .
C32 H32 0.9500 .
C33 C34 1.386(9) .
C33 H33 0.9500 .
C34 C35 1.399(9) .
C34 C37 1.516(10) .
C35 C36 1.397(9) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C41 C42 1.401(8) .
C41 C46 1.416(7) .
C42 C43 1.379(8) .
C42 H42 0.9500 .
C43 C44 1.387(8) .
C43 H43 0.9500 .
C44 C45 1.415(8) .
C44 C47 1.508(8) .
C45 C46 1.380(7) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
B1 C51 1.652(8) .
B1 C71 1.658(7) .
B1 C61 1.666(7) .
B1 C81 1.670(8) .
C51 C56 1.392(7) .
C51 C52 1.399(8) .
C52 F52 1.362(7) .
C52 C53 1.411(10) .
C53 C54 1.351(10) .
C53 F53 1.374(8) .
C54 F54 1.373(8) .
C54 C55 1.380(10) .
C55 F55 1.355(7) .
C55 C56 1.380(9) .
C56 F56 1.370(6) .
C61 C66 1.359(8) .
C61 C62 1.416(8) .
C62 F62 1.326(7) .
C62 C63 1.397(8) .
C63 C64 1.341(11) .
C63 F63 1.346(8) .
C64 F64 1.378(7) .
C64 C65 1.405(11) .
C65 F65 1.338(9) .
C65 C66 1.410(8) .
C66 F66 1.366(7) .
C71 C72 1.378(7) .
C71 C76 1.406(6) .
C72 F72 1.370(5) .
C72 C73 1.390(7) .
C73 F73 1.348(6) .
C73 C74 1.385(8) .
C74 F74 1.359(6) .
C74 C75 1.367(8) .
C75 F75 1.366(5) .
C75 C76 1.370(7) .
C76 F76 1.360(6) .
C81 C82 1.392(7) .
C81 C86 1.396(7) .
C82 F82 1.374(5) .
C82 C83 1.385(7) .
C83 F83 1.353(6) .
C83 C84 1.375(8) .
C84 F84 1.364(6) .
C84 C85 1.375(8) .
C85 F85 1.363(6) .
C85 C86 1.381(8) .
C86 F86 1.369(6) .
C101 C102 1.318(13) .
C101 F101 1.342(10) .
C101 C106 1.384(13) .
C102 C103 1.310(13) .
C102 F102 1.358(11) .
C103 F103 1.371(11) .
C103 C104 1.393(14) .
C104 F104 1.339(10) .
C104 C105 1.367(14) .
C105 F105 1.341(11) .
C105 C106 1.360(13) .
C106 F106 1.363(10) .
C201 C202 1.357(11) .
C201 F201 1.358(8) .
C201 C206 1.385(11) .
C202 F202 1.350(8) .
C202 C203 1.361(10) .
C203 F203 1.345(8) .
C203 C204 1.399(10) .
C204 F204 1.348(8) .
C204 C205 1.359(10) .
C205 F205 1.349(8) .
C205 C206 1.350(11) .
C206 F206 1.345(9) .
C301 F301 1.349(8) .
C301 C306 1.371(10) .
C301 C302 1.378(10) .
C302 F302 1.347(8) .
C302 C303 1.357(9) .
C303 F303 1.343(7) .
C303 C304 1.391(9) .
C304 F304 1.340(7) .
C304 C305 1.364(9) .
C305 F305 1.342(7) .
C305 C306 1.363(9) .
C306 F306 1.348(8) .
C401 F401 1.341(15) .
C401 C403 1.36(2) 2
C401 C402 1.37(2) .
C402 F402 1.354(17) .
C402 C403 1.39(2) .
C403 F403 1.348(17) .
C403 C401 1.36(2) 2
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
_geom_torsion_site_symmetry_4
C11 Si1 C1 C2 -32.0(5) . .
C21 Si1 C1 C2 -150.3(4) . .
C11 Si1 C1 C6 146.9(4) . .
C21 Si1 C1 C6 28.6(5) . .
C6 C1 C2 C3 -0.6(9) . .
Si1 C1 C2 C3 178.3(5) . .
C1 C2 C3 C4 -1.5(11) . .
C2 C3 C4 C5 2.2(11) . .
C3 C4 C5 C10 179.6(7) . .
C3 C4 C5 C6 -0.7(10) . .
C2 C1 C6 C7 -179.4(5) . .
Si1 C1 C6 C7 1.8(8) . .
C2 C1 C6 C5 2.0(8) . .
Si1 C1 C6 C5 -176.8(4) . .
C4 C5 C6 C7 180.0(5) . .
C10 C5 C6 C7 -0.4(8) . .
C4 C5 C6 C1 -1.4(8) . .
C10 C5 C6 C1 178.3(5) . .
C1 C6 C7 C8 -179.9(5) . .
C5 C6 C7 C8 -1.4(8) . .
C1 C6 C7 Si2 5.2(7) . .
C5 C6 C7 Si2 -176.2(4) . .
C31 Si2 C7 C8 27.0(5) . .
C41 Si2 C7 C8 -98.9(4) . .
C21 Si2 C7 C8 143.8(4) . .
C31 Si2 C7 C6 -157.9(4) . .
C41 Si2 C7 C6 76.1(5) . .
C21 Si2 C7 C6 -41.2(5) . .
C6 C7 C8 C9 1.3(8) . .
Si2 C7 C8 C9 176.6(4) . .
C7 C8 C9 C10 0.8(9) . .
C8 C9 C10 C5 -2.7(9) . .
C4 C5 C10 C9 -177.9(6) . .
C6 C5 C10 C9 2.5(9) . .
C1 Si1 C11 C12 -46.7(5) . .
C21 Si1 C11 C12 71.6(5) . .
C1 Si1 C11 C16 133.3(5) . .
C21 Si1 C11 C16 -108.4(5) . .
C16 C11 C12 C13 -1.8(8) . .
Si1 C11 C12 C13 178.2(4) . .
C11 C12 C13 C14 0.6(9) . .
C12 C13 C14 C15 1.0(9) . .
C12 C13 C14 C17 -175.7(6) . .
C13 C14 C15 C16 -1.5(10) . .
C17 C14 C15 C16 175.3(7) . .
C14 C15 C16 C11 0.3(11) . .
C12 C11 C16 C15 1.4(9) . .
Si1 C11 C16 C15 -178.6(5) . .
C31 Si2 C21 C26 -70.5(4) . .
C41 Si2 C21 C26 50.2(4) . .
C7 Si2 C21 C26 170.6(4) . .
C31 Si2 C21 C22 65.5(4) . .
C41 Si2 C21 C22 -173.9(4) . .
C7 Si2 C21 C22 -53.5(4) . .
C31 Si2 C21 Si1 179.0(2) . .
C41 Si2 C21 Si1 -60.4(3) . .
C7 Si2 C21 Si1 60.0(2) . .
C11 Si1 C21 C26 64.3(4) . .
C1 Si1 C21 C26 -173.5(3) . .
C11 Si1 C21 C22 -59.8(4) . .
C1 Si1 C21 C22 62.3(4) . .
C11 Si1 C21 Si2 -177.9(2) . .
C1 Si1 C21 Si2 -55.8(3) . .
C26 C21 C22 C23 -2.0(8) . .
Si2 C21 C22 C23 -137.1(5) . .
Si1 C21 C22 C23 115.4(5) . .
C21 C22 C23 C24 2.2(8) . .
C22 C23 C24 C25 -2.4(9) . .
C22 C23 C24 C27 177.4(6) . .
C23 C24 C25 C26 2.5(9) . .
C27 C24 C25 C26 -177.4(6) . .
C24 C25 C26 C21 -2.3(9) . .
C22 C21 C26 C25 2.0(8) . .
Si2 C21 C26 C25 137.0(5) . .
Si1 C21 C26 C25 -116.9(5) . .
C41 Si2 C31 C36 24.6(5) . .
C7 Si2 C31 C36 -102.2(4) . .
C21 Si2 C31 C36 143.2(4) . .
C41 Si2 C31 C32 -160.1(4) . .
C7 Si2 C31 C32 73.2(5) . .
C21 Si2 C31 C32 -41.5(5) . .
C36 C31 C32 C33 1.0(8) . .
Si2 C31 C32 C33 -174.4(4) . .
C31 C32 C33 C34 0.6(9) . .
C32 C33 C34 C35 -1.5(9) . .
C32 C33 C34 C37 179.9(6) . .
C33 C34 C35 C36 0.7(9) . .
C37 C34 C35 C36 179.3(6) . .
C34 C35 C36 C31 1.0(9) . .
C32 C31 C36 C35 -1.8(8) . .
Si2 C31 C36 C35 173.9(4) . .
C31 Si2 C41 C42 -128.1(5) . .
C7 Si2 C41 C42 -2.1(6) . .
C21 Si2 C41 C42 113.2(5) . .
C31 Si2 C41 C46 49.5(5) . .
C7 Si2 C41 C46 175.5(4) . .
C21 Si2 C41 C46 -69.2(5) . .
C46 C41 C42 C43 2.5(8) . .
Si2 C41 C42 C43 -179.8(5) . .
C41 C42 C43 C44 -1.1(9) . .
C42 C43 C44 C45 -0.1(9) . .
C42 C43 C44 C47 -180.0(6) . .
C43 C44 C45 C46 -0.1(9) . .
C47 C44 C45 C46 179.7(5) . .
C44 C45 C46 C41 1.6(9) . .
C42 C41 C46 C45 -2.7(8) . .
Si2 C41 C46 C45 179.6(4) . .
C71 B1 C51 C56 106.6(6) . .
C61 B1 C51 C56 -130.7(5) . .
C81 B1 C51 C56 -16.9(7) . .
C71 B1 C51 C52 -63.6(5) . .
C61 B1 C51 C52 59.1(6) . .
C81 B1 C51 C52 172.9(4) . .
C56 C51 C52 F52 -179.3(4) . .
B1 C51 C52 F52 -7.6(7) . .
C56 C51 C52 C53 1.2(7) . .
B1 C51 C52 C53 172.9(5) . .
F52 C52 C53 C54 -178.8(6) . .
C51 C52 C53 C54 0.7(10) . .
F52 C52 C53 F53 0.4(8) . .
C51 C52 C53 F53 179.9(5) . .
F53 C53 C54 F54 0.6(11) . .
C52 C53 C54 F54 179.8(6) . .
F53 C53 C54 C55 178.2(6) . .
C52 C53 C54 C55 -2.6(11) . .
C53 C54 C55 F55 -178.5(6) . .
F54 C54 C55 F55 -0.8(11) . .
C53 C54 C55 C56 2.4(11) . .
F54 C54 C55 C56 -179.9(6) . .
F55 C55 C56 F56 1.1(9) . .
C54 C55 C56 F56 -179.8(6) . .
F55 C55 C56 C51 -179.4(5) . .
C54 C55 C56 C51 -0.3(10) . .
C52 C51 C56 F56 178.0(4) . .
B1 C51 C56 F56 7.3(8) . .
C52 C51 C56 C55 -1.4(8) . .
B1 C51 C56 C55 -172.2(5) . .
C51 B1 C61 C66 -172.6(5) . .
C71 B1 C61 C66 -56.1(7) . .
C81 B1 C61 C66 66.3(6) . .
C51 B1 C61 C62 12.0(7) . .
C71 B1 C61 C62 128.5(5) . .
C81 B1 C61 C62 -109.1(6) . .
C66 C61 C62 F62 -177.8(5) . .
B1 C61 C62 F62 -2.3(8) . .
C66 C61 C62 C63 2.4(8) . .
B1 C61 C62 C63 177.9(5) . .
F62 C62 C63 C64 178.4(6) . .
C61 C62 C63 C64 -1.8(10) . .
F62 C62 C63 F63 -0.9(8) . .
C61 C62 C63 F63 178.9(5) . .
F63 C63 C64 F64 -2.2(10) . .
C62 C63 C64 F64 178.4(6) . .
F63 C63 C64 C65 179.1(6) . .
C62 C63 C64 C65 -0.2(10) . .
C63 C64 C65 F65 179.7(6) . .
F64 C64 C65 F65 1.0(9) . .
C63 C64 C65 C66 1.4(10) . .
F64 C64 C65 C66 -177.4(5) . .
C62 C61 C66 F66 178.0(5) . .
B1 C61 C66 F66 2.2(8) . .
C62 C61 C66 C65 -1.2(8) . .
B1 C61 C66 C65 -177.0(5) . .
F65 C65 C66 C61 -179.0(6) . .
C64 C65 C66 C61 -0.6(9) . .
F65 C65 C66 F66 1.8(9) . .
C64 C65 C66 F66 -179.9(5) . .
C51 B1 C71 C72 105.2(6) . .
C61 B1 C71 C72 -18.4(8) . .
C81 B1 C71 C72 -132.3(6) . .
C51 B1 C71 C76 -63.9(6) . .
C61 B1 C71 C76 172.5(5) . .
C81 B1 C71 C76 58.6(7) . .
C76 C71 C72 F72 177.9(5) . .
B1 C71 C72 F72 8.1(9) . .
C76 C71 C72 C73 -3.7(9) . .
B1 C71 C72 C73 -173.4(6) . .
F72 C72 C73 F73 -1.7(9) . .
C71 C72 C73 F73 179.8(6) . .
F72 C72 C73 C74 -179.8(6) . .
C71 C72 C73 C74 1.6(10) . .
F73 C73 C74 F74 0.5(10) . .
C72 C73 C74 F74 178.6(6) . .
F73 C73 C74 C75 -177.7(6) . .
C72 C73 C74 C75 0.5(10) . .
F74 C74 C75 F75 -1.0(10) . .
C73 C74 C75 F75 177.1(6) . .
F74 C74 C75 C76 -178.2(6) . .
C73 C74 C75 C76 -0.1(10) . .
F75 C75 C76 F76 0.9(9) . .
C74 C75 C76 F76 178.0(6) . .
F75 C75 C76 C71 -179.5(5) . .
C74 C75 C76 C71 -2.4(10) . .
C72 C71 C76 F76 -176.3(5) . .
B1 C71 C76 F76 -5.7(8) . .
C72 C71 C76 C75 4.1(8) . .
B1 C71 C76 C75 174.7(6) . .
C51 B1 C81 C82 -60.5(6) . .
C71 B1 C81 C82 -176.9(4) . .
C61 B1 C81 C82 61.6(6) . .
C51 B1 C81 C86 129.4(5) . .
C71 B1 C81 C86 13.1(7) . .
C61 B1 C81 C86 -108.4(5) . .
C86 C81 C82 F82 179.7(4) . .
B1 C81 C82 F82 8.3(7) . .
C86 C81 C82 C83 -0.1(7) . .
B1 C81 C82 C83 -171.6(5) . .
F82 C82 C83 F83 -0.7(7) . .
C81 C82 C83 F83 179.1(4) . .
F82 C82 C83 C84 -179.4(4) . .
C81 C82 C83 C84 0.4(8) . .
F83 C83 C84 F84 -1.1(7) . .
C82 C83 C84 F84 177.7(4) . .
F83 C83 C84 C85 -179.4(5) . .
C82 C83 C84 C85 -0.6(8) . .
F84 C84 C85 F85 1.0(8) . .
C83 C84 C85 F85 179.3(5) . .
F84 C84 C85 C86 -177.7(5) . .
C83 C84 C85 C86 0.6(8) . .
F85 C85 C86 F86 -1.4(7) . .
C84 C85 C86 F86 177.2(4) . .
F85 C85 C86 C81 -179.0(5) . .
C84 C85 C86 C81 -0.4(8) . .
C82 C81 C86 F86 -177.3(4) . .
B1 C81 C86 F86 -6.7(7) . .
C82 C81 C86 C85 0.1(7) . .
B1 C81 C86 C85 170.8(5) . .
F101 C101 C102 C103 -179.8(7) . .
C106 C101 C102 C103 -1.9(12) . .
F101 C101 C102 F102 -0.1(11) . .
C106 C101 C102 F102 177.8(6) . .
C101 C102 C103 F103 179.4(7) . .
F102 C102 C103 F103 -0.4(12) . .
C101 C102 C103 C104 0.7(13) . .
F102 C102 C103 C104 -179.0(7) . .
C102 C103 C104 F104 178.6(8) . .
F103 C103 C104 F104 -0.2(12) . .
C102 C103 C104 C105 2.4(13) . .
F103 C103 C104 C105 -176.4(7) . .
F104 C104 C105 F105 0.8(12) . .
C103 C104 C105 F105 177.2(7) . .
F104 C104 C105 C106 179.6(7) . .
C103 C104 C105 C106 -4.0(12) . .
F105 C105 C106 F106 -0.5(11) . .
C104 C105 C106 F106 -179.3(7) . .
F105 C105 C106 C101 -178.3(7) . .
C104 C105 C106 C101 2.9(12) . .
C102 C101 C106 C105 0.1(12) . .
F101 C101 C106 C105 178.0(7) . .
C102 C101 C106 F106 -177.7(7) . .
F101 C101 C106 F106 0.2(11) . .
F201 C201 C202 F202 0.3(11) . .
C206 C201 C202 F202 -178.7(6) . .
F201 C201 C202 C203 -178.2(6) . .
C206 C201 C202 C203 2.8(11) . .
F202 C202 C203 F203 0.8(10) . .
C201 C202 C203 F203 179.3(7) . .
F202 C202 C203 C204 -178.9(6) . .
C201 C202 C203 C204 -0.4(11) . .
F203 C203 C204 F204 -0.4(10) . .
C202 C203 C204 F204 179.3(6) . .
F203 C203 C204 C205 178.9(6) . .
C202 C203 C204 C205 -1.4(10) . .
F204 C204 C205 F205 1.7(10) . .
C203 C204 C205 F205 -177.7(6) . .
F204 C204 C205 C206 -180.0(6) . .
C203 C204 C205 C206 0.7(10) . .
F205 C205 C206 F206 -2.1(10) . .
C204 C205 C206 F206 179.6(6) . .
F205 C205 C206 C201 -180.0(6) . .
C204 C205 C206 C201 1.7(11) . .
C202 C201 C206 F206 178.7(6) . .
F201 C201 C206 F206 -0.3(11) . .
C202 C201 C206 C205 -3.5(11) . .
F201 C201 C206 C205 177.6(6) . .
F301 C301 C302 F302 -1.3(11) . .
C306 C301 C302 F302 180.0(7) . .
F301 C301 C302 C303 177.9(7) . .
C306 C301 C302 C303 -0.8(11) . .
F302 C302 C303 F303 0.8(9) . .
C301 C302 C303 F303 -178.4(6) . .
F302 C302 C303 C304 -178.8(6) . .
C301 C302 C303 C304 2.0(10) . .
F303 C303 C304 F304 -2.6(8) . .
C302 C303 C304 F304 177.0(5) . .
F303 C303 C304 C305 178.3(5) . .
C302 C303 C304 C305 -2.1(8) . .
F304 C304 C305 F305 1.5(8) . .
C303 C304 C305 F305 -179.4(5) . .
F304 C304 C305 C306 -178.1(5) . .
C303 C304 C305 C306 1.1(9) . .
F305 C305 C306 F306 1.3(10) . .
C304 C305 C306 F306 -179.2(6) . .
F305 C305 C306 C301 -179.5(7) . .
C304 C305 C306 C301 0.0(11) . .
F301 C301 C306 F306 0.3(12) . .
C302 C301 C306 F306 179.0(7) . .
F301 C301 C306 C305 -178.9(7) . .
C302 C301 C306 C305 -0.2(12) . .
F401 C401 C402 F402 2.9(17) . .
C403 C401 C402 F402 178.4(10) 2 .
F401 C401 C402 C403 -178.8(9) . .
C403 C401 C402 C403 -3(2) 2 .
F402 C402 C403 F403 -1.0(16) . .
C401 C402 C403 F403 -179.2(10) . .
F402 C402 C403 C401 -178.5(11) . 2
C401 C402 C403 C401 3(2) . 2
