#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:47:42 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178701 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/12/4081242.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_4081242
loop_
_publ_author_name
'Schäfer, André'
'Reißmann, Matti'
'Jung, Sebastian'
'Schäfer, Annemarie'
'Saak, Wolfgang'
'Brendler, Erica'
'Müller, Thomas'
_publ_section_title
;
 Synthesis of Silylium and Germylium Ions by a Substituent Exchange
 Reaction
;
_journal_name_full               Organometallics
_journal_page_first              4713
_journal_paper_doi               10.1021/om400366z
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C51 H57 B6 Cl12 Si'
_chemical_formula_weight         1188.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.364(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6834(11)
_cell_length_b                   13.0394(8)
_cell_length_c                   25.5056(16)
_cell_measurement_temperature    153(2)
_cell_volume                     5581.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.1290
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            94354
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    0.653
_exptl_absorpt_correction_T_max  0.9769
_exptl_absorpt_correction_T_min  0.6908
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2444
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.450
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         10576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.1141
_refine_ls_R_factor_gt           0.0852
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0543P)²+19.8298P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.1789
_reflns_number_gt                7959
_reflns_number_total             10576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400366z_si_002.cif
_cod_data_source_block           ju1
_cod_database_code               4081242
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.21700(7) 0.50064(10) 0.94746(5) 0.0178(3) Uani 1 1 d . . .
C1 C 0.2602(2) 0.4964(4) 1.02339(17) 0.0196(9) Uani 1 1 d . . .
C2 C 0.2677(3) 0.4016(4) 1.05076(19) 0.0231(10) Uani 1 1 d . . .
C3 C 0.3021(3) 0.3982(4) 1.1084(2) 0.0274(11) Uani 1 1 d . . .
C4 C 0.3264(3) 0.4887(4) 1.13764(19) 0.0289(12) Uani 1 1 d . . .
C5 C 0.3169(3) 0.5838(4) 1.1108(2) 0.0280(11) Uani 1 1 d . . .
C6 C 0.2845(2) 0.5876(4) 1.05284(19) 0.0220(10) Uani 1 1 d . . .
C7 C 0.2410(3) 0.3044(4) 1.0189(2) 0.0287(11) Uani 1 1 d . . .
H7A H 0.2014 0.2701 1.0324 0.043 Uiso 1 1 calc R . .
H7B H 0.2870 0.2590 1.0240 0.043 Uiso 1 1 calc R . .
H7C H 0.2174 0.3205 0.9796 0.043 Uiso 1 1 calc R . .
C8 C 0.3122(4) 0.2953(5) 1.1367(2) 0.0446(15) Uani 1 1 d . . .
H8A H 0.3371 0.3046 1.1766 0.067 Uiso 1 1 calc R . .
H8B H 0.3461 0.2515 1.1223 0.067 Uiso 1 1 calc R . .
H8C H 0.2599 0.2629 1.1296 0.067 Uiso 1 1 calc R . .
C9 C 0.3643(4) 0.4870(5) 1.1997(2) 0.0466(16) Uani 1 1 d . . .
H9A H 0.3320 0.5278 1.2169 0.070 Uiso 1 1 calc R . .
H9B H 0.4181 0.5159 1.2094 0.070 Uiso 1 1 calc R . .
H9C H 0.3672 0.4161 1.2129 0.070 Uiso 1 1 calc R . .
C10 C 0.3409(3) 0.6817(5) 1.1431(2) 0.0387(14) Uani 1 1 d . . .
H10A H 0.3160 0.6846 1.1724 0.058 Uiso 1 1 calc R . .
H10B H 0.3234 0.7405 1.1184 0.058 Uiso 1 1 calc R . .
H10C H 0.3990 0.6835 1.1597 0.058 Uiso 1 1 calc R . .
C11 C 0.2741(3) 0.6887(4) 1.0228(2) 0.0278(11) Uani 1 1 d . . .
H11A H 0.2579 0.6764 0.9829 0.042 Uiso 1 1 calc R . .
H11B H 0.3246 0.7264 1.0343 0.042 Uiso 1 1 calc R . .
H11C H 0.2331 0.7292 1.0317 0.042 Uiso 1 1 calc R . .
C12 C 0.1120(2) 0.4593(3) 0.91634(17) 0.0178(9) Uani 1 1 d . . .
C13 C 0.0938(3) 0.3723(4) 0.88248(17) 0.0203(10) Uani 1 1 d . . .
C14 C 0.0143(3) 0.3407(4) 0.86148(18) 0.0231(10) Uani 1 1 d . . .
C15 C -0.0460(3) 0.3979(4) 0.87199(18) 0.0246(10) Uani 1 1 d . . .
C16 C -0.0280(3) 0.4858(4) 0.90508(18) 0.0222(10) Uani 1 1 d . . .
C17 C 0.0517(3) 0.5160(3) 0.92803(17) 0.0181(9) Uani 1 1 d . . .
C18 C 0.1584(3) 0.3120(4) 0.8693(2) 0.0276(11) Uani 1 1 d . . .
H18A H 0.2088 0.3498 0.8824 0.041 Uiso 1 1 calc R . .
H18B H 0.1440 0.3022 0.8292 0.041 Uiso 1 1 calc R . .
H18C H 0.1645 0.2451 0.8876 0.041 Uiso 1 1 calc R . .
C19 C -0.0057(3) 0.2444(4) 0.8258(2) 0.0363(13) Uani 1 1 d . . .
H19A H -0.0441 0.2028 0.8371 0.054 Uiso 1 1 calc R . .
H19B H 0.0430 0.2046 0.8305 0.054 Uiso 1 1 calc R . .
H19C H -0.0289 0.2640 0.7869 0.054 Uiso 1 1 calc R . .
C20 C -0.1322(3) 0.3656(5) 0.8476(2) 0.0419(14) Uani 1 1 d . . .
H20A H -0.1621 0.4196 0.8229 0.063 Uiso 1 1 calc R . .
H20B H -0.1552 0.3543 0.8774 0.063 Uiso 1 1 calc R . .
H20C H -0.1351 0.3020 0.8266 0.063 Uiso 1 1 calc R . .
C21 C -0.0928(3) 0.5499(4) 0.9150(2) 0.0327(12) Uani 1 1 d . . .
H21A H -0.1164 0.5941 0.8829 0.049 Uiso 1 1 calc R . .
H21B H -0.0703 0.5924 0.9479 0.049 Uiso 1 1 calc R . .
H21C H -0.1340 0.5050 0.9206 0.049 Uiso 1 1 calc R . .
C22 C 0.0714(3) 0.6109(4) 0.9628(2) 0.0265(11) Uani 1 1 d . . .
H22A H 0.0505 0.6711 0.9398 0.040 Uiso 1 1 calc R . .
H22B H 0.1294 0.6171 0.9789 0.040 Uiso 1 1 calc R . .
H22C H 0.0473 0.6066 0.9925 0.040 Uiso 1 1 calc R . .
C23 C 0.2780(3) 0.5463(3) 0.90548(18) 0.0186(9) Uani 1 1 d . . .
C24 C 0.2505(3) 0.6255(3) 0.86687(18) 0.0197(9) Uani 1 1 d . . .
C25 C 0.2987(3) 0.6596(4) 0.83619(18) 0.0229(10) Uani 1 1 d . . .
C26 C 0.3745(3) 0.6173(4) 0.84506(18) 0.0226(10) Uani 1 1 d . . .
C27 C 0.4032(3) 0.5405(4) 0.88494(19) 0.0209(10) Uani 1 1 d . . .
C28 C 0.3545(3) 0.5033(3) 0.91459(18) 0.0193(9) Uani 1 1 d . . .
C29 C 0.1716(3) 0.6765(4) 0.8597(2) 0.0288(11) Uani 1 1 d . . .
H29A H 0.1805 0.7452 0.8760 0.043 Uiso 1 1 calc R . .
H29B H 0.1409 0.6356 0.8781 0.043 Uiso 1 1 calc R . .
H29C H 0.1418 0.6818 0.8202 0.043 Uiso 1 1 calc R . .
C30 C 0.2702(3) 0.7438(4) 0.7939(2) 0.0334(12) Uani 1 1 d . . .
H30A H 0.2181 0.7686 0.7944 0.050 Uiso 1 1 calc R . .
H30B H 0.2655 0.7169 0.7571 0.050 Uiso 1 1 calc R . .
H30C H 0.3086 0.8004 0.8026 0.050 Uiso 1 1 calc R . .
C31 C 0.4257(3) 0.6561(4) 0.8121(2) 0.0361(13) Uani 1 1 d . . .
H31A H 0.4442 0.7256 0.8242 0.054 Uiso 1 1 calc R . .
H31B H 0.3946 0.6572 0.7728 0.054 Uiso 1 1 calc R . .
H31C H 0.4718 0.6107 0.8178 0.054 Uiso 1 1 calc R . .
C32 C 0.4860(3) 0.4973(4) 0.8950(2) 0.0292(11) Uani 1 1 d . . .
H32A H 0.4881 0.4607 0.8619 0.044 Uiso 1 1 calc R . .
H32B H 0.4987 0.4499 0.9264 0.044 Uiso 1 1 calc R . .
H32C H 0.5248 0.5535 0.9032 0.044 Uiso 1 1 calc R . .
C33 C 0.3819(3) 0.4142(4) 0.9536(2) 0.0285(11) Uani 1 1 d . . .
H33A H 0.3971 0.3571 0.9340 0.043 Uiso 1 1 calc R . .
H33B H 0.3385 0.3925 0.9673 0.043 Uiso 1 1 calc R . .
H33C H 0.4278 0.4351 0.9848 0.043 Uiso 1 1 calc R . .
B1 B 0.4888(3) 0.8924(4) 0.0337(2) 0.0197(11) Uani 1 1 d . . .
B2 B 0.5286(3) 1.0069(4) 0.0699(2) 0.0190(10) Uani 1 1 d . . .
B3 B 0.5842(3) 0.9369(4) 0.0351(2) 0.0169(10) Uani 1 1 d . . .
B4 B 0.5169(3) 0.8879(4) -0.0275(2) 0.0188(11) Uani 1 1 d . . .
B5 B 0.4190(3) 0.9274(4) -0.0312(2) 0.0170(10) Uani 1 1 d . . .
B6 B 0.4259(3) 1.0004(4) 0.0289(2) 0.0184(10) Uani 1 1 d . . .
Cl1 Cl 0.47881(7) 0.77897(9) 0.07063(5) 0.0286(3) Uani 1 1 d . . .
Cl2 Cl 0.55841(7) 1.01374(10) 0.14396(4) 0.0269(3) Uani 1 1 d . . .
Cl3 Cl 0.67388(6) 0.86951(9) 0.07177(5) 0.0238(3) Uani 1 1 d . . .
Cl4 Cl 0.53503(7) 0.76872(9) -0.05689(5) 0.0290(3) Uani 1 1 d . . .
Cl5 Cl 0.33297(7) 0.85179(9) -0.06503(5) 0.0277(3) Uani 1 1 d . . .
Cl6 Cl 0.34807(7) 1.00152(11) 0.06004(5) 0.0313(3) Uani 1 1 d . . .
Cl7 Cl 0.26702(14) -0.05445(15) 0.16879(8) 0.0713(6) Uani 1 1 d . . .
Cl8 Cl 0.19856(11) 0.05313(15) 0.25406(8) 0.0621(5) Uani 1 1 d . . .
C34 C 0.3210(4) 0.0393(5) 0.2124(2) 0.0458(15) Uani 1 1 d . . .
C35 C 0.2915(4) 0.0850(5) 0.2504(2) 0.0442(15) Uani 1 1 d . . .
C36 C 0.3366(4) 0.1587(6) 0.2856(3) 0.0551(19) Uani 1 1 d . . .
H36 H 0.3169 0.1897 0.3125 0.066 Uiso 1 1 calc R . .
C37 C 0.4089(4) 0.1873(6) 0.2821(3) 0.061(2) Uani 1 1 d . . .
H37 H 0.4393 0.2381 0.3064 0.073 Uiso 1 1 calc R . .
C38 C 0.4385(4) 0.1427(6) 0.2432(3) 0.059(2) Uani 1 1 d . . .
H38 H 0.4886 0.1636 0.2405 0.071 Uiso 1 1 calc R . .
C39 C 0.3948(4) 0.0675(6) 0.2085(3) 0.0539(18) Uani 1 1 d . . .
H39 H 0.4150 0.0355 0.1822 0.065 Uiso 1 1 calc R . .
Cl9 Cl 0.03313(7) 0.28516(11) 0.18509(5) 0.0352(3) Uani 1 1 d . . .
Cl10 Cl -0.02347(8) 0.48026(11) 0.23740(6) 0.0402(3) Uani 1 1 d . . .
C40 C 0.1009(3) 0.3662(4) 0.22963(19) 0.0264(11) Uani 1 1 d . . .
C41 C 0.0763(3) 0.4516(4) 0.2520(2) 0.0292(11) Uani 1 1 d . . .
C42 C 0.1324(4) 0.5138(4) 0.2879(2) 0.0414(14) Uani 1 1 d . . .
H42 H 0.1161 0.5738 0.3025 0.050 Uiso 1 1 calc R . .
C43 C 0.2122(4) 0.4886(5) 0.3025(2) 0.0451(16) Uani 1 1 d . . .
H43 H 0.2505 0.5300 0.3283 0.054 Uiso 1 1 calc R . .
C44 C 0.2366(3) 0.4048(5) 0.2801(2) 0.0422(15) Uani 1 1 d . . .
H44 H 0.2917 0.3885 0.2899 0.051 Uiso 1 1 calc R . .
C45 C 0.1812(3) 0.3440(4) 0.2433(2) 0.0349(12) Uani 1 1 d . . .
H45 H 0.1982 0.2864 0.2271 0.042 Uiso 1 1 calc R . .
C80 C 0.9862(5) 0.0512(6) 0.1018(3) 0.064(2) Uani 1 1 d . A .
H80 H 1.0179 0.0331 0.1382 0.077 Uiso 1 1 calc R . .
C81 C 0.9038(7) 0.0254(7) 0.0816(5) 0.096(4) Uani 1 1 d . . .
H81 H 0.8784 -0.0099 0.1040 0.115 Uiso 1 1 calc R . .
C82 C 0.8607(5) 0.0549(8) 0.0260(5) 0.092(4) Uani 1 1 d . A .
H82 H 0.8055 0.0405 0.0102 0.110 Uiso 1 1 calc R . .
C83 C 0.9021(7) 0.1043(7) -0.0031(4) 0.081(3) Uani 1 1 d . . .
H83A H 0.8745 0.1237 -0.0401 0.098 Uiso 0.714(5) 1 calc PR A 1
Cl80 Cl 1.11776(16) 0.1373(2) 0.09064(12) 0.0698(10) Uani 0.714(5) 1 d P A 1
Cl81 Cl 1.0152(3) 0.1962(2) -0.02919(14) 0.1059(17) Uani 0.714(5) 1 d P A 1
Cl83 Cl 0.8872(6) 0.1639(7) -0.0646(4) 0.105(3) Uani 0.286(5) 1 d P A 2
C84 C 0.9765(6) 0.1264(5) 0.0166(3) 0.068(2) Uani 1 1 d . A .
C85 C 1.0178(4) 0.1025(5) 0.0674(3) 0.0533(17) Uani 1 1 d . . .
H85A H 1.0723 0.1219 0.0808 0.064 Uiso 0.286(5) 1 calc PR A 2
Cl82 Cl 1.0591(8) 0.1790(7) 0.0049(6) 0.105(3) Uani 0.286(5) 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 '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
C23 Si1 C1 119.7(2) . .
C23 Si1 C12 122.4(2) . .
C1 Si1 C12 117.9(2) . .
C6 C1 C2 121.1(4) . .
C6 C1 Si1 119.6(3) . .
C2 C1 Si1 119.4(4) . .
C3 C2 C1 119.3(5) . .
C3 C2 C7 120.0(4) . .
C1 C2 C7 120.7(4) . .
C4 C3 C2 119.7(5) . .
C4 C3 C8 121.9(4) . .
C2 C3 C8 118.4(5) . .
C3 C4 C5 121.3(4) . .
C3 C4 C9 120.6(5) . .
C5 C4 C9 118.1(5) . .
C4 C5 C6 119.4(5) . .
C4 C5 C10 120.8(4) . .
C6 C5 C10 119.8(5) . .
C1 C6 C5 119.2(4) . .
C1 C6 C11 120.2(4) . .
C5 C6 C11 120.5(4) . .
C13 C12 C17 121.0(4) . .
C13 C12 Si1 120.2(3) . .
C17 C12 Si1 118.8(3) . .
C14 C13 C12 118.8(4) . .
C14 C13 C18 120.1(4) . .
C12 C13 C18 121.0(4) . .
C15 C14 C13 120.4(4) . .
C15 C14 C19 120.4(4) . .
C13 C14 C19 119.2(4) . .
C14 C15 C16 120.8(4) . .
C14 C15 C20 120.2(5) . .
C16 C15 C20 119.0(4) . .
C15 C16 C17 119.3(4) . .
C15 C16 C21 121.1(4) . .
C17 C16 C21 119.5(4) . .
C16 C17 C12 119.6(4) . .
C16 C17 C22 119.7(4) . .
C12 C17 C22 120.6(4) . .
C24 C23 C28 120.5(4) . .
C24 C23 Si1 120.7(3) . .
C28 C23 Si1 118.7(3) . .
C25 C24 C23 119.3(4) . .
C25 C24 C29 119.8(4) . .
C23 C24 C29 120.8(4) . .
C24 C25 C26 120.3(4) . .
C24 C25 C30 120.4(4) . .
C26 C25 C30 119.2(4) . .
C25 C26 C27 120.5(4) . .
C25 C26 C31 119.4(4) . .
C27 C26 C31 120.1(4) . .
C28 C27 C26 119.7(4) . .
C28 C27 C32 120.5(4) . .
C26 C27 C32 119.8(4) . .
C27 C28 C23 119.6(4) . .
C27 C28 C33 119.9(4) . .
C23 C28 C33 120.4(4) . .
B3 B1 B6 108.3(4) . .
B3 B1 B2 59.8(3) . .
B6 B1 B2 60.5(3) . .
B3 B1 B4 60.1(3) . .
B6 B1 B4 108.0(3) . .
B2 B1 B4 108.0(4) . .
B3 B1 B5 108.0(3) . .
B6 B1 B5 59.9(3) . .
B2 B1 B5 108.1(3) . .
B4 B1 B5 59.9(3) . .
B3 B1 Cl1 120.7(3) . .
B6 B1 Cl1 121.8(3) . .
B2 B1 Cl1 120.6(3) . .
B4 B1 Cl1 122.2(3) . .
B5 B1 Cl1 123.0(3) . .
B3 B2 B5 60.0(3) . 3_675
B3 B2 B4 108.1(3) . 3_675
B5 B2 B4 60.3(3) 3_675 3_675
B3 B2 B1 59.9(3) . .
B5 B2 B1 108.0(3) 3_675 .
B4 B2 B1 107.7(3) 3_675 .
B3 B2 B6 107.8(3) . .
B5 B2 B6 108.1(3) 3_675 .
B4 B2 B6 59.9(3) 3_675 .
B1 B2 B6 59.7(3) . .
B3 B2 Cl2 121.8(3) . .
B5 B2 Cl2 122.0(3) 3_675 .
B4 B2 Cl2 121.9(3) 3_675 .
B1 B2 Cl2 121.6(3) . .
B6 B2 Cl2 121.5(3) . .
B2 B3 B5 60.0(3) . 3_675
B2 B3 B1 60.3(3) . .
B5 B3 B1 108.2(3) 3_675 .
B2 B3 B4 108.3(3) . .
B5 B3 B4 108.0(3) 3_675 .
B1 B3 B4 60.2(3) . .
B2 B3 B6 108.2(3) . 3_675
B5 B3 B6 60.0(3) 3_675 3_675
B1 B3 B6 108.2(3) . 3_675
B4 B3 B6 59.9(3) . 3_675
B2 B3 Cl3 122.0(3) . .
B5 B3 Cl3 121.6(3) 3_675 .
B1 B3 Cl3 121.9(3) . .
B4 B3 Cl3 121.4(3) . .
B6 B3 Cl3 121.2(3) 3_675 .
B2 B4 B5 59.7(3) 3_675 .
B2 B4 B6 60.4(3) 3_675 3_675
B5 B4 B6 108.1(3) . 3_675
B2 B4 B1 108.0(3) 3_675 .
B5 B4 B1 60.2(3) . .
B6 B4 B1 107.9(3) 3_675 .
B2 B4 B3 108.3(3) 3_675 .
B5 B4 B3 107.9(3) . .
B6 B4 B3 60.1(3) 3_675 .
B1 B4 B3 59.7(3) . .
B2 B4 Cl4 121.3(3) 3_675 .
B5 B4 Cl4 121.7(3) . .
B6 B4 Cl4 121.4(3) 3_675 .
B1 B4 Cl4 122.0(3) . .
B3 B4 Cl4 121.9(3) . .
B2 B5 B3 60.0(3) 3_675 3_675
B2 B5 B6 108.4(3) 3_675 .
B3 B5 B6 60.3(3) 3_675 .
B2 B5 B4 60.0(3) 3_675 .
B3 B5 B4 107.8(3) 3_675 .
B6 B5 B4 107.9(3) . .
B2 B5 B1 108.0(3) 3_675 .
B3 B5 B1 107.9(3) 3_675 .
B6 B5 B1 59.8(3) . .
B4 B5 B1 59.9(3) . .
B2 B5 Cl5 120.9(3) 3_675 .
B3 B5 Cl5 121.1(3) 3_675 .
B6 B5 Cl5 121.8(3) . .
B4 B5 Cl5 122.1(3) . .
B1 B5 Cl5 122.7(3) . .
B1 B6 B5 60.3(3) . .
B1 B6 B4 107.6(3) . 3_675
B5 B6 B4 107.7(3) . 3_675
B1 B6 B3 107.8(3) . 3_675
B5 B6 B3 59.7(3) . 3_675
B4 B6 B3 60.0(3) 3_675 3_675
B1 B6 B2 59.8(3) . .
B5 B6 B2 108.0(3) . .
B4 B6 B2 59.6(3) 3_675 .
B3 B6 B2 107.6(3) 3_675 .
B1 B6 Cl6 121.9(3) . .
B5 B6 Cl6 122.3(3) . .
B4 B6 Cl6 121.6(3) 3_675 .
B3 B6 Cl6 122.2(3) 3_675 .
B2 B6 Cl6 121.4(3) . .
C35 C34 C39 120.7(7) . .
C35 C34 Cl7 120.5(5) . .
C39 C34 Cl7 118.9(5) . .
C34 C35 C36 119.4(6) . .
C34 C35 Cl8 120.9(6) . .
C36 C35 Cl8 119.7(5) . .
C37 C36 C35 120.5(6) . .
C36 C37 C38 120.5(7) . .
C39 C38 C37 119.6(7) . .
C38 C39 C34 119.4(6) . .
C45 C40 C41 119.8(5) . .
C45 C40 Cl9 118.8(4) . .
C41 C40 Cl9 121.4(4) . .
C42 C41 C40 119.5(5) . .
C42 C41 Cl10 119.3(4) . .
C40 C41 Cl10 121.2(4) . .
C43 C42 C41 119.9(6) . .
C44 C43 C42 120.6(5) . .
C43 C44 C45 119.8(5) . .
C44 C45 C40 120.4(6) . .
C85 C80 C81 117.7(7) . .
C80 C81 C82 117.3(8) . .
C83 C82 C81 117.2(8) . .
C84 C83 C82 123.7(9) . .
C84 C83 Cl83 95.8(9) . .
C82 C83 Cl83 140.3(10) . .
C83 C84 C85 121.1(9) . .
C83 C84 Cl82 147.3(9) . .
C85 C84 Cl82 91.6(8) . .
C83 C84 Cl81 114.6(8) . .
C85 C84 Cl81 124.2(8) . .
Cl82 C84 Cl81 32.8(5) . .
C84 C85 C80 122.9(8) . .
C84 C85 Cl80 117.7(7) . .
C80 C85 Cl80 119.4(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C23 1.841(5) .
Si1 C1 1.845(4) .
Si1 C12 1.855(4) .
C1 C6 1.399(7) .
C1 C2 1.406(7) .
C2 C3 1.403(7) .
C2 C7 1.499(7) .
C3 C4 1.390(8) .
C3 C8 1.508(8) .
C4 C5 1.401(7) .
C4 C9 1.511(7) .
C5 C6 1.407(6) .
C5 C10 1.506(7) .
C6 C11 1.507(7) .
C12 C13 1.401(6) .
C12 C17 1.404(6) .
C13 C14 1.398(6) .
C13 C18 1.510(6) .
C14 C15 1.395(7) .
C14 C19 1.525(7) .
C15 C16 1.399(7) .
C15 C20 1.513(6) .
C16 C17 1.402(6) .
C16 C21 1.503(7) .
C17 C22 1.498(6) .
C23 C24 1.404(6) .
C23 C28 1.415(6) .
C24 C25 1.398(7) .
C24 C29 1.504(6) .
C25 C26 1.401(7) .
C25 C30 1.510(7) .
C26 C27 1.404(7) .
C26 C31 1.504(7) .
C27 C28 1.400(6) .
C27 C32 1.514(6) .
C28 C33 1.506(6) .
B1 B3 1.773(7) .
B1 B6 1.776(7) .
B1 B2 1.779(7) .
B1 B4 1.782(7) .
B1 B5 1.786(7) .
B1 Cl1 1.792(5) .
B2 B3 1.770(7) .
B2 B5 1.771(7) 3_675
B2 B4 1.775(7) 3_675
B2 B6 1.790(7) .
B2 Cl2 1.797(5) .
B3 B5 1.771(7) 3_675
B3 B4 1.781(7) .
B3 B6 1.784(7) 3_675
B3 Cl3 1.797(5) .
B4 B2 1.775(7) 3_675
B4 B5 1.780(7) .
B4 B6 1.781(7) 3_675
B4 Cl4 1.797(5) .
B5 B2 1.771(7) 3_675
B5 B3 1.771(7) 3_675
B5 B6 1.778(7) .
B5 Cl5 1.790(5) .
B6 B4 1.781(7) 3_675
B6 B3 1.784(7) 3_675
B6 Cl6 1.791(5) .
Cl7 C34 1.725(7) .
Cl8 C35 1.726(7) .
C34 C35 1.372(8) .
C34 C39 1.389(9) .
C35 C36 1.384(10) .
C36 C37 1.363(10) .
C37 C38 1.385(10) .
C38 C39 1.383(10) .
Cl9 C40 1.728(5) .
Cl10 C41 1.725(5) .
C40 C45 1.382(7) .
C40 C41 1.382(7) .
C41 C42 1.381(7) .
C42 C43 1.381(9) .
C43 C44 1.364(9) .
C44 C45 1.376(8) .
C80 C85 1.356(10) .
C80 C81 1.424(13) .
C81 C82 1.435(14) .
C82 C83 1.358(14) .
C83 C84 1.283(12) .
C83 Cl83 1.695(13) .
Cl80 C85 1.738(8) .
Cl81 C84 1.778(9) .
C84 C85 1.310(10) .
C84 Cl82 1.723(14) .
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
C23 Si1 C1 C6 62.9(4) . .
C12 Si1 C1 C6 -116.4(4) . .
C23 Si1 C1 C2 -117.5(4) . .
C12 Si1 C1 C2 63.2(4) . .
C6 C1 C2 C3 -1.8(6) . .
Si1 C1 C2 C3 178.7(3) . .
C6 C1 C2 C7 179.6(4) . .
Si1 C1 C2 C7 0.0(6) . .
C1 C2 C3 C4 1.5(7) . .
C7 C2 C3 C4 -179.8(4) . .
C1 C2 C3 C8 -177.9(4) . .
C7 C2 C3 C8 0.8(7) . .
C2 C3 C4 C5 0.4(7) . .
C8 C3 C4 C5 179.8(5) . .
C2 C3 C4 C9 -179.5(4) . .
C8 C3 C4 C9 -0.1(7) . .
C3 C4 C5 C6 -2.1(7) . .
C9 C4 C5 C6 177.8(4) . .
C3 C4 C5 C10 177.9(4) . .
C9 C4 C5 C10 -2.2(7) . .
C2 C1 C6 C5 0.0(6) . .
Si1 C1 C6 C5 179.6(3) . .
C2 C1 C6 C11 -178.5(4) . .
Si1 C1 C6 C11 1.0(6) . .
C4 C5 C6 C1 1.9(6) . .
C10 C5 C6 C1 -178.1(4) . .
C4 C5 C6 C11 -179.5(4) . .
C10 C5 C6 C11 0.5(7) . .
C23 Si1 C12 C13 65.4(4) . .
C1 Si1 C12 C13 -115.3(4) . .
C23 Si1 C12 C17 -115.4(4) . .
C1 Si1 C12 C17 63.9(4) . .
C17 C12 C13 C14 -1.7(6) . .
Si1 C12 C13 C14 177.4(3) . .
C17 C12 C13 C18 179.2(4) . .
Si1 C12 C13 C18 -1.7(6) . .
C12 C13 C14 C15 3.0(7) . .
C18 C13 C14 C15 -177.8(4) . .
C12 C13 C14 C19 -178.4(4) . .
C18 C13 C14 C19 0.7(7) . .
C13 C14 C15 C16 -2.1(7) . .
C19 C14 C15 C16 179.4(4) . .
C13 C14 C15 C20 177.9(5) . .
C19 C14 C15 C20 -0.7(7) . .
C14 C15 C16 C17 -0.3(7) . .
C20 C15 C16 C17 179.8(4) . .
C14 C15 C16 C21 177.8(4) . .
C20 C15 C16 C21 -2.1(7) . .
C15 C16 C17 C12 1.6(6) . .
C21 C16 C17 C12 -176.5(4) . .
C15 C16 C17 C22 179.0(4) . .
C21 C16 C17 C22 0.9(6) . .
C13 C12 C17 C16 -0.6(6) . .
Si1 C12 C17 C16 -179.7(3) . .
C13 C12 C17 C22 -178.0(4) . .
Si1 C12 C17 C22 2.8(6) . .
C1 Si1 C23 C24 -126.3(4) . .
C12 Si1 C23 C24 52.9(4) . .
C1 Si1 C23 C28 50.9(4) . .
C12 Si1 C23 C28 -129.8(4) . .
C28 C23 C24 C25 1.9(6) . .
Si1 C23 C24 C25 179.0(3) . .
C28 C23 C24 C29 -175.9(4) . .
Si1 C23 C24 C29 1.3(6) . .
C23 C24 C25 C26 -1.9(6) . .
C29 C24 C25 C26 175.9(4) . .
C23 C24 C25 C30 179.2(4) . .
C29 C24 C25 C30 -3.0(7) . .
C24 C25 C26 C27 -0.2(7) . .
C30 C25 C26 C27 178.7(4) . .
C24 C25 C26 C31 -179.2(4) . .
C30 C25 C26 C31 -0.3(7) . .
C25 C26 C27 C28 2.4(7) . .
C31 C26 C27 C28 -178.6(4) . .
C25 C26 C27 C32 -178.5(4) . .
C31 C26 C27 C32 0.5(7) . .
C26 C27 C28 C23 -2.4(6) . .
C32 C27 C28 C23 178.6(4) . .
C26 C27 C28 C33 174.3(4) . .
C32 C27 C28 C33 -4.8(6) . .
C24 C23 C28 C27 0.2(6) . .
Si1 C23 C28 C27 -177.0(3) . .
C24 C23 C28 C33 -176.4(4) . .
Si1 C23 C28 C33 6.4(6) . .
B6 B1 B2 B3 -138.3(4) . .
B4 B1 B2 B3 -37.4(3) . .
B5 B1 B2 B3 -100.8(4) . .
Cl1 B1 B2 B3 110.0(4) . .
B3 B1 B2 B5 37.4(3) . 3_675
B6 B1 B2 B5 -100.9(4) . 3_675
B4 B1 B2 B5 0.0(4) . 3_675
B5 B1 B2 B5 -63.4(5) . 3_675
Cl1 B1 B2 B5 147.4(3) . 3_675
B3 B1 B2 B4 101.1(4) . 3_675
B6 B1 B2 B4 -37.3(3) . 3_675
B4 B1 B2 B4 63.6(4) . 3_675
B5 B1 B2 B4 0.3(4) . 3_675
Cl1 B1 B2 B4 -148.9(3) . 3_675
B3 B1 B2 B6 138.3(4) . .
B4 B1 B2 B6 100.9(4) . .
B5 B1 B2 B6 37.6(3) . .
Cl1 B1 B2 B6 -111.6(4) . .
B3 B1 B2 Cl2 -111.1(4) . .
B6 B1 B2 Cl2 110.6(4) . .
B4 B1 B2 Cl2 -148.5(3) . .
B5 B1 B2 Cl2 148.2(3) . .
Cl1 B1 B2 Cl2 -1.0(5) . .
B4 B2 B3 B5 37.8(3) 3_675 3_675
B1 B2 B3 B5 138.2(3) . 3_675
B6 B2 B3 B5 101.1(4) . 3_675
Cl2 B2 B3 B5 -111.2(4) . 3_675
B5 B2 B3 B1 -138.2(3) 3_675 .
B4 B2 B3 B1 -100.4(4) 3_675 .
B6 B2 B3 B1 -37.1(3) . .
Cl2 B2 B3 B1 110.7(4) . .
B5 B2 B3 B4 -100.6(4) 3_675 .
B4 B2 B3 B4 -62.8(5) 3_675 .
B1 B2 B3 B4 37.6(3) . .
B6 B2 B3 B4 0.5(5) . .
Cl2 B2 B3 B4 148.2(4) . .
B5 B2 B3 B6 -37.1(3) 3_675 3_675
B4 B2 B3 B6 0.6(4) 3_675 3_675
B1 B2 B3 B6 101.0(4) . 3_675
B6 B2 B3 B6 64.0(5) . 3_675
Cl2 B2 B3 B6 -148.3(3) . 3_675
B5 B2 B3 Cl3 110.7(4) 3_675 .
B4 B2 B3 Cl3 148.5(3) 3_675 .
B1 B2 B3 Cl3 -111.1(4) . .
B6 B2 B3 Cl3 -148.2(3) . .
Cl2 B2 B3 Cl3 -0.5(6) . .
B6 B1 B3 B2 37.5(3) . .
B4 B1 B3 B2 138.2(4) . .
B5 B1 B3 B2 100.9(4) . .
Cl1 B1 B3 B2 -109.8(4) . .
B6 B1 B3 B5 0.1(5) . 3_675
B2 B1 B3 B5 -37.4(3) . 3_675
B4 B1 B3 B5 100.7(4) . 3_675
B5 B1 B3 B5 63.4(5) . 3_675
Cl1 B1 B3 B5 -147.3(3) . 3_675
B6 B1 B3 B4 -100.6(4) . .
B2 B1 B3 B4 -138.2(4) . .
B5 B1 B3 B4 -37.3(3) . .
Cl1 B1 B3 B4 112.0(4) . .
B6 B1 B3 B6 -63.4(5) . 3_675
B2 B1 B3 B6 -101.0(4) . 3_675
B4 B1 B3 B6 37.2(3) . 3_675
B5 B1 B3 B6 -0.1(5) . 3_675
Cl1 B1 B3 B6 149.2(3) . 3_675
B6 B1 B3 Cl3 148.8(3) . .
B2 B1 B3 Cl3 111.3(4) . .
B4 B1 B3 Cl3 -110.6(4) . .
B5 B1 B3 Cl3 -147.8(3) . .
Cl1 B1 B3 Cl3 1.4(6) . .
B3 B1 B4 B2 -101.1(4) . 3_675
B6 B1 B4 B2 0.1(4) . 3_675
B2 B1 B4 B2 -63.8(4) . 3_675
B5 B1 B4 B2 37.1(3) . 3_675
Cl1 B1 B4 B2 149.4(3) . 3_675
B3 B1 B4 B5 -138.3(4) . .
B6 B1 B4 B5 -37.0(3) . .
B2 B1 B4 B5 -101.0(4) . .
Cl1 B1 B4 B5 112.2(4) . .
B3 B1 B4 B6 -37.2(3) . 3_675
B6 B1 B4 B6 64.0(4) . 3_675
B2 B1 B4 B6 0.1(4) . 3_675
B5 B1 B4 B6 101.0(4) . 3_675
Cl1 B1 B4 B6 -146.8(3) . 3_675
B6 B1 B4 B3 101.2(4) . .
B2 B1 B4 B3 37.3(3) . .
B5 B1 B4 B3 138.3(4) . .
Cl1 B1 B4 B3 -109.5(4) . .
B3 B1 B4 Cl4 110.8(4) . .
B6 B1 B4 Cl4 -148.0(3) . .
B2 B1 B4 Cl4 148.1(3) . .
B5 B1 B4 Cl4 -110.9(4) . .
Cl1 B1 B4 Cl4 1.3(5) . .
B2 B3 B4 B2 63.0(5) . 3_675
B5 B3 B4 B2 -0.5(5) 3_675 3_675
B1 B3 B4 B2 100.6(4) . 3_675
B6 B3 B4 B2 -37.8(3) 3_675 3_675
Cl3 B3 B4 B2 -148.1(3) . 3_675
B2 B3 B4 B5 -0.2(5) . .
B5 B3 B4 B5 -63.7(5) 3_675 .
B1 B3 B4 B5 37.4(3) . .
B6 B3 B4 B5 -101.0(4) 3_675 .
Cl3 B3 B4 B5 148.7(3) . .
B2 B3 B4 B6 100.8(4) . 3_675
B5 B3 B4 B6 37.3(3) 3_675 3_675
B1 B3 B4 B6 138.4(4) . 3_675
Cl3 B3 B4 B6 -110.3(4) . 3_675
B2 B3 B4 B1 -37.6(3) . .
B5 B3 B4 B1 -101.1(4) 3_675 .
B6 B3 B4 B1 -138.4(4) 3_675 .
Cl3 B3 B4 B1 111.3(4) . .
B2 B3 B4 Cl4 -148.7(4) . .
B5 B3 B4 Cl4 147.8(4) 3_675 .
B1 B3 B4 Cl4 -111.1(4) . .
B6 B3 B4 Cl4 110.5(4) 3_675 .
Cl3 B3 B4 Cl4 0.2(6) . .
B6 B4 B5 B2 37.6(3) 3_675 3_675
B1 B4 B5 B2 138.3(4) . 3_675
B3 B4 B5 B2 101.2(4) . 3_675
Cl4 B4 B5 B2 -110.3(4) . 3_675
B2 B4 B5 B3 -37.6(3) 3_675 3_675
B6 B4 B5 B3 0.0(5) 3_675 3_675
B1 B4 B5 B3 100.8(4) . 3_675
B3 B4 B5 B3 63.6(5) . 3_675
Cl4 B4 B5 B3 -147.9(4) . 3_675
B2 B4 B5 B6 -101.3(4) 3_675 .
B6 B4 B5 B6 -63.7(5) 3_675 .
B1 B4 B5 B6 37.0(3) . .
B3 B4 B5 B6 -0.2(5) . .
Cl4 B4 B5 B6 148.3(4) . .
B2 B4 B5 B1 -138.3(4) 3_675 .
B6 B4 B5 B1 -100.7(4) 3_675 .
B3 B4 B5 B1 -37.2(3) . .
Cl4 B4 B5 B1 111.3(4) . .
B2 B4 B5 Cl5 109.7(4) 3_675 .
B6 B4 B5 Cl5 147.3(3) 3_675 .
B1 B4 B5 Cl5 -112.0(4) . .
B3 B4 B5 Cl5 -149.1(3) . .
Cl4 B4 B5 Cl5 -0.6(6) . .
B3 B1 B5 B2 0.1(5) . 3_675
B6 B1 B5 B2 101.3(4) . 3_675
B2 B1 B5 B2 63.4(5) . 3_675
B4 B1 B5 B2 -37.3(3) . 3_675
Cl1 B1 B5 B2 -148.3(4) . 3_675
B3 B1 B5 B3 -63.2(5) . 3_675
B6 B1 B5 B3 37.9(3) . 3_675
B2 B1 B5 B3 0.0(5) . 3_675
B4 B1 B5 B3 -100.6(4) . 3_675
Cl1 B1 B5 B3 148.3(4) . 3_675
B3 B1 B5 B6 -101.1(4) . .
B2 B1 B5 B6 -37.8(3) . .
B4 B1 B5 B6 -138.5(4) . .
Cl1 B1 B5 B6 110.5(4) . .
B3 B1 B5 B4 37.4(3) . .
B6 B1 B5 B4 138.5(4) . .
B2 B1 B5 B4 100.7(4) . .
Cl1 B1 B5 B4 -111.0(4) . .
B3 B1 B5 Cl5 148.3(3) . .
B6 B1 B5 Cl5 -110.5(4) . .
B2 B1 B5 Cl5 -148.4(3) . .
B4 B1 B5 Cl5 111.0(4) . .
Cl1 B1 B5 Cl5 -0.1(6) . .
B3 B1 B6 B5 100.7(4) . .
B2 B1 B6 B5 137.9(4) . .
B4 B1 B6 B5 37.0(3) . .
Cl1 B1 B6 B5 -112.4(4) . .
B3 B1 B6 B4 -0.1(4) . 3_675
B2 B1 B6 B4 37.1(3) . 3_675
B4 B1 B6 B4 -63.7(4) . 3_675
B5 B1 B6 B4 -100.8(4) . 3_675
Cl1 B1 B6 B4 146.8(3) . 3_675
B3 B1 B6 B3 63.2(4) . 3_675
B2 B1 B6 B3 100.4(4) . 3_675
B4 B1 B6 B3 -0.5(4) . 3_675
B5 B1 B6 B3 -37.5(3) . 3_675
Cl1 B1 B6 B3 -149.9(3) . 3_675
B3 B1 B6 B2 -37.2(3) . .
B4 B1 B6 B2 -100.9(4) . .
B5 B1 B6 B2 -137.9(4) . .
Cl1 B1 B6 B2 109.7(4) . .
B3 B1 B6 Cl6 -147.7(3) . .
B2 B1 B6 Cl6 -110.4(4) . .
B4 B1 B6 Cl6 148.7(3) . .
B5 B1 B6 Cl6 111.7(4) . .
Cl1 B1 B6 Cl6 -0.7(5) . .
B2 B5 B6 B1 -100.6(4) 3_675 .
B3 B5 B6 B1 -137.8(4) 3_675 .
B4 B5 B6 B1 -37.1(3) . .
Cl5 B5 B6 B1 112.0(4) . .
B2 B5 B6 B4 0.0(4) 3_675 3_675
B3 B5 B6 B4 -37.2(3) 3_675 3_675
B4 B5 B6 B4 63.5(5) . 3_675
B1 B5 B6 B4 100.5(4) . 3_675
Cl5 B5 B6 B4 -147.5(3) . 3_675
B2 B5 B6 B3 37.2(3) 3_675 3_675
B4 B5 B6 B3 100.7(4) . 3_675
B1 B5 B6 B3 137.8(4) . 3_675
Cl5 B5 B6 B3 -110.2(4) . 3_675
B2 B5 B6 B2 -63.0(5) 3_675 .
B3 B5 B6 B2 -100.2(4) 3_675 .
B4 B5 B6 B2 0.5(5) . .
B1 B5 B6 B2 37.5(3) . .
Cl5 B5 B6 B2 149.5(3) . .
B2 B5 B6 Cl6 148.4(3) 3_675 .
B3 B5 B6 Cl6 111.2(4) 3_675 .
B4 B5 B6 Cl6 -148.2(3) . .
B1 B5 B6 Cl6 -111.1(4) . .
Cl5 B5 B6 Cl6 0.9(6) . .
B3 B2 B6 B1 37.2(3) . .
B5 B2 B6 B1 100.6(4) 3_675 .
B4 B2 B6 B1 138.2(4) 3_675 .
Cl2 B2 B6 B1 -110.7(4) . .
B3 B2 B6 B5 -0.6(5) . .
B5 B2 B6 B5 62.9(5) 3_675 .
B4 B2 B6 B5 100.4(4) 3_675 .
B1 B2 B6 B5 -37.8(3) . .
Cl2 B2 B6 B5 -148.4(4) . .
B3 B2 B6 B4 -101.0(4) . 3_675
B5 B2 B6 B4 -37.6(3) 3_675 3_675
B1 B2 B6 B4 -138.2(4) . 3_675
Cl2 B2 B6 B4 111.2(4) . 3_675
B3 B2 B6 B3 -63.6(5) . 3_675
B5 B2 B6 B3 -0.1(5) 3_675 3_675
B4 B2 B6 B3 37.4(3) 3_675 3_675
B1 B2 B6 B3 -100.7(4) . 3_675
Cl2 B2 B6 B3 148.6(3) . 3_675
B3 B2 B6 Cl6 148.3(4) . .
B5 B2 B6 Cl6 -148.2(4) 3_675 .
B4 B2 B6 Cl6 -110.7(4) 3_675 .
B1 B2 B6 Cl6 111.2(4) . .
Cl2 B2 B6 Cl6 0.5(6) . .
C39 C34 C35 C36 -0.9(8) . .
Cl7 C34 C35 C36 178.8(4) . .
C39 C34 C35 Cl8 178.0(4) . .
Cl7 C34 C35 Cl8 -2.2(7) . .
C34 C35 C36 C37 1.2(9) . .
Cl8 C35 C36 C37 -177.8(5) . .
C35 C36 C37 C38 -0.2(9) . .
C36 C37 C38 C39 -1.1(9) . .
C37 C38 C39 C34 1.3(9) . .
C35 C34 C39 C38 -0.3(9) . .
Cl7 C34 C39 C38 180.0(5) . .
C45 C40 C41 C42 -0.1(7) . .
Cl9 C40 C41 C42 179.3(4) . .
C45 C40 C41 Cl10 -178.4(4) . .
Cl9 C40 C41 Cl10 1.0(6) . .
C40 C41 C42 C43 -2.0(8) . .
Cl10 C41 C42 C43 176.3(4) . .
C41 C42 C43 C44 2.5(9) . .
C42 C43 C44 C45 -0.9(9) . .
C43 C44 C45 C40 -1.3(8) . .
C41 C40 C45 C44 1.7(8) . .
Cl9 C40 C45 C44 -177.7(4) . .
C85 C80 C81 C82 0.6(11) . .
C80 C81 C82 C83 0.5(12) . .
C81 C82 C83 C84 -0.7(13) . .
C81 C82 C83 Cl83 -174.2(9) . .
C82 C83 C84 C85 -0.4(13) . .
Cl83 C83 C84 C85 175.4(6) . .
C82 C83 C84 Cl82 177.8(10) . .
Cl83 C83 C84 Cl82 -6.4(14) . .
C82 C83 C84 Cl81 -177.4(7) . .
Cl83 C83 C84 Cl81 -1.6(7) . .
C83 C84 C85 C80 1.7(11) . .
Cl82 C84 C85 C80 -177.3(7) . .
Cl81 C84 C85 C80 178.4(5) . .
C83 C84 C85 Cl80 -179.1(6) . .
Cl82 C84 C85 Cl80 1.9(6) . .
Cl81 C84 C85 Cl80 -2.4(8) . .
C81 C80 C85 C84 -1.8(10) . .
C81 C80 C85 Cl80 179.1(5) . .
