#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:10:55 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179526 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/23/4342378.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_4342378
loop_
_publ_author_name
'Reißmann, Matti'
'Schäfer, André'
'Panisch, Robin'
'Schmidtmann, Marc'
'Bolte, Michael'
'Müller, Thomas'
_publ_section_title
;
 Cyclic Silylated Onium Ions of Group 15 Elements.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2393
_journal_paper_doi               10.1021/ic502968z
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C84 H84 B12 Cl16 P2 Si2'
_chemical_formula_weight         1908.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.430(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1228(4)
_cell_length_b                   21.3999(8)
_cell_length_c                   17.0156(6)
_cell_measurement_reflns_used    9006
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      33.66
_cell_measurement_theta_min      2.25
_cell_volume                     4412.9(3)
_computing_cell_refinement       'Bruker AXS SAINT V8.18C'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker AXS SAINT V8.18C'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            189408
_diffrn_reflns_theta_full        33.73
_diffrn_reflns_theta_max         33.73
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    0.607
_exptl_absorpt_correction_T_max  0.9629
_exptl_absorpt_correction_T_min  0.8767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1956
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.515
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         17621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0350P)²+1.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                14715
_reflns_number_total             17621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502968z_si_003.cif
_cod_data_source_block           ans288
_cod_depositor_comments
'Adding full bibliography for 4342377--4342378.cif.'
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4342378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
P1 P 0.527958(19) 0.633039(10) 0.767119(13) 0.01100(4) Uani 1 1 d .
Si1 Si 0.49847(2) 0.643080(13) 0.437682(15) 0.01515(5) Uani 1 1 d .
H1 H 0.6028(12) 0.6739(7) 0.4364(9) 0.025(4) Uiso 1 1 d .
C1 C 0.48264(9) 0.59800(5) 0.34408(6) 0.02093(18) Uani 1 1 d .
H1A H 0.4070 0.5821 0.3388 0.031 Uiso 1 1 calc R
H1B H 0.5345 0.5629 0.3448 0.031 Uiso 1 1 calc R
H1C H 0.4981 0.6254 0.2995 0.031 Uiso 1 1 calc R
C2 C 0.38832(9) 0.70372(5) 0.44318(6) 0.02145(18) Uani 1 1 d .
H2A H 0.4034 0.7374 0.4059 0.032 Uiso 1 1 calc R
H2B H 0.3871 0.7208 0.4966 0.032 Uiso 1 1 calc R
H2C H 0.3166 0.6848 0.4300 0.032 Uiso 1 1 calc R
C3 C 0.49146(8) 0.59160(4) 0.52689(5) 0.01602(16) Uani 1 1 d .
H3A H 0.4156 0.5751 0.5314 0.019 Uiso 1 1 calc R
H3B H 0.5419 0.5556 0.5209 0.019 Uiso 1 1 calc R
C4 C 0.52361(9) 0.62765(4) 0.60195(5) 0.01688(16) Uani 1 1 d .
H4A H 0.4788 0.6662 0.6045 0.020 Uiso 1 1 calc R
H4B H 0.6022 0.6401 0.5998 0.020 Uiso 1 1 calc R
C5 C 0.50616(8) 0.58869(4) 0.67657(5) 0.01399(15) Uani 1 1 d .
H5A H 0.5575 0.5527 0.6767 0.017 Uiso 1 1 calc R
H5B H 0.4300 0.5719 0.6752 0.017 Uiso 1 1 calc R
C6 C 0.41010(7) 0.68504(4) 0.77485(5) 0.01354(15) Uani 1 1 d .
C7 C 0.32377(8) 0.68035(5) 0.71888(6) 0.01900(17) Uani 1 1 d .
H7 H 0.3261 0.6491 0.6793 0.023 Uiso 1 1 calc R
C8 C 0.23467(9) 0.72118(6) 0.72100(6) 0.0245(2) Uani 1 1 d .
H8 H 0.1762 0.7175 0.6831 0.029 Uiso 1 1 calc R
C9 C 0.23071(9) 0.76731(5) 0.77816(7) 0.0240(2) Uani 1 1 d .
H9 H 0.1705 0.7957 0.7786 0.029 Uiso 1 1 calc R
C10 C 0.31490(8) 0.77190(5) 0.83479(6) 0.01908(17) Uani 1 1 d .
H10 H 0.3119 0.8032 0.8742 0.023 Uiso 1 1 calc R
C11 C 0.40349(8) 0.73070(4) 0.83386(5) 0.01502(15) Uani 1 1 d .
H11 H 0.4600 0.7334 0.8734 0.018 Uiso 1 1 calc R
C12 C 0.64924(7) 0.68153(4) 0.75636(5) 0.01258(14) Uani 1 1 d .
C13 C 0.74742(8) 0.65539(4) 0.72930(5) 0.01648(16) Uani 1 1 d .
H13 H 0.7506 0.6121 0.7170 0.020 Uiso 1 1 calc R
C14 C 0.83997(8) 0.69278(5) 0.72047(6) 0.01865(17) Uani 1 1 d .
H14 H 0.9065 0.6748 0.7025 0.022 Uiso 1 1 calc R
C15 C 0.83612(8) 0.75607(5) 0.73758(6) 0.01891(17) Uani 1 1 d .
H15 H 0.9000 0.7812 0.7319 0.023 Uiso 1 1 calc R
C16 C 0.73901(9) 0.78257(5) 0.76295(6) 0.01980(18) Uani 1 1 d .
H16 H 0.7361 0.8260 0.7742 0.024 Uiso 1 1 calc R
C17 C 0.64586(8) 0.74576(4) 0.77202(6) 0.01678(16) Uani 1 1 d .
H17 H 0.5793 0.7643 0.7890 0.020 Uiso 1 1 calc R
C18 C 0.53684(7) 0.57872(4) 0.85742(5) 0.01160(14) Uani 1 1 d .
C19 C 0.53091(7) 0.62329(4) 0.92820(5) 0.01236(14) Uani 1 1 d .
C20 C 0.44338(8) 0.62362(5) 0.97971(5) 0.01604(16) Uani 1 1 d .
H20 H 0.3849 0.5944 0.9729 0.019 Uiso 1 1 calc R
C21 C 0.44107(9) 0.66662(5) 1.04134(6) 0.02136(19) Uani 1 1 d .
H21 H 0.3813 0.6662 1.0764 0.026 Uiso 1 1 calc R
C22 C 0.52499(10) 0.70990(5) 1.05191(6) 0.0233(2) Uani 1 1 d .
H22 H 0.5209 0.7405 1.0922 0.028 Uiso 1 1 calc R
C23 C 0.61527(9) 0.70822(5) 1.00312(6) 0.01977(18) Uani 1 1 d .
H23 H 0.6746 0.7367 1.0112 0.024 Uiso 1 1 calc R
C24 C 0.61869(8) 0.66485(4) 0.94252(5) 0.01515(15) Uani 1 1 d .
H24 H 0.6814 0.6633 0.9102 0.018 Uiso 1 1 calc R
C25 C 0.43790(8) 0.53330(4) 0.84847(5) 0.01353(15) Uani 1 1 d .
C26 C 0.45401(9) 0.46861(5) 0.84843(6) 0.01832(17) Uani 1 1 d .
H26 H 0.5266 0.4523 0.8547 0.022 Uiso 1 1 calc R
C27 C 0.36511(10) 0.42777(5) 0.83931(6) 0.0235(2) Uani 1 1 d .
H27 H 0.3777 0.3840 0.8405 0.028 Uiso 1 1 calc R
C28 C 0.25896(10) 0.45005(6) 0.82855(6) 0.0248(2) Uani 1 1 d .
H28 H 0.1990 0.4220 0.8206 0.030 Uiso 1 1 calc R
C29 C 0.24109(9) 0.51406(6) 0.82951(6) 0.0232(2) Uani 1 1 d .
H29 H 0.1683 0.5299 0.8227 0.028 Uiso 1 1 calc R
C30 C 0.32893(8) 0.55515(5) 0.84034(6) 0.01831(17) Uani 1 1 d .
H30 H 0.3150 0.5988 0.8423 0.022 Uiso 1 1 calc R
C31 C 0.64497(7) 0.54057(4) 0.86421(5) 0.01242(14) Uani 1 1 d .
C32 C 0.69658(8) 0.51369(4) 0.79999(5) 0.01629(16) Uani 1 1 d .
H32 H 0.6699 0.5231 0.7484 0.020 Uiso 1 1 calc R
C33 C 0.78612(9) 0.47344(5) 0.80954(6) 0.01952(18) Uani 1 1 d .
H33 H 0.8202 0.4562 0.7648 0.023 Uiso 1 1 calc R
C34 C 0.82549(9) 0.45850(5) 0.88435(6) 0.02117(19) Uani 1 1 d .
H34 H 0.8868 0.4312 0.8912 0.025 Uiso 1 1 calc R
C35 C 0.77439(8) 0.48379(5) 0.94905(6) 0.01937(18) Uani 1 1 d .
H35 H 0.8003 0.4733 1.0005 0.023 Uiso 1 1 calc R
C36 C 0.68536(8) 0.52448(4) 0.93936(5) 0.01548(15) Uani 1 1 d .
H36 H 0.6516 0.5415 0.9843 0.019 Uiso 1 1 calc R
Cl1 Cl 0.99390(2) 0.553080(12) 0.693616(13) 0.01885(5) Uani 1 1 d .
Cl2 Cl 0.745229(19) 0.495887(12) 0.589965(14) 0.02005(5) Uani 1 1 d .
Cl3 Cl 0.86912(2) 0.643158(11) 0.528541(14) 0.01951(5) Uani 1 1 d .
Cl4 Cl 1.17073(2) 0.626059(12) 0.548041(16) 0.02258(5) Uani 1 1 d .
Cl5 Cl 1.23194(2) 0.468263(13) 0.618851(14) 0.02206(5) Uani 1 1 d .
Cl6 Cl 0.96709(2) 0.387895(11) 0.646597(14) 0.02238(5) Uani 1 1 d .
B1 B 0.99693(8) 0.52620(5) 0.59396(5) 0.01164(15) Uani 1 1 d .
B2 B 0.87635(8) 0.49803(5) 0.54374(6) 0.01216(16) Uani 1 1 d .
B3 B 0.93668(8) 0.56993(4) 0.51412(6) 0.01195(16) Uani 1 1 d .
B4 B 1.08289(8) 0.56140(5) 0.52313(6) 0.01271(16) Uani 1 1 d .
B5 B 1.11296(8) 0.48433(5) 0.55818(6) 0.01221(16) Uani 1 1 d .
B6 B 0.98447(8) 0.44507(5) 0.57119(6) 0.01249(16) Uani 1 1 d .
Cl7 Cl 0.94759(3) 0.678057(15) 1.131849(18) 0.03177(6) Uani 1 1 d .
Cl8 Cl 1.17236(2) 0.726950(13) 1.066489(16) 0.02468(5) Uani 1 1 d .
C37 C 0.98435(9) 0.66174(5) 1.03642(6) 0.01988(18) Uani 1 1 d .
C38 C 1.08341(8) 0.68380(5) 1.00771(6) 0.01797(17) Uani 1 1 d .
C39 C 1.11049(10) 0.67194(5) 0.93033(7) 0.0241(2) Uani 1 1 d .
H39 H 1.1783 0.6867 0.9106 0.029 Uiso 1 1 calc R
C40 C 1.03810(11) 0.63842(6) 0.88185(7) 0.0301(2) Uani 1 1 d .
H40 H 1.0559 0.6309 0.8286 0.036 Uiso 1 1 calc R
C41 C 0.94009(11) 0.61589(6) 0.91089(8) 0.0306(2) Uani 1 1 d .
H41 H 0.8912 0.5926 0.8777 0.037 Uiso 1 1 calc R
C42 C 0.91316(10) 0.62723(5) 0.98829(7) 0.0262(2) Uani 1 1 d .
H42 H 0.8462 0.6114 1.0083 0.031 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables 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'
P P 0.1023 0.0942 '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
C12 P1 C6 107.33(4) . .
C12 P1 C5 108.27(4) . .
C6 P1 C5 106.39(4) . .
C12 P1 C18 113.35(4) . .
C6 P1 C18 109.86(4) . .
C5 P1 C18 111.33(4) . .
C2 Si1 C1 110.09(5) . .
C2 Si1 C3 108.68(5) . .
C1 Si1 C3 112.35(5) . .
C2 Si1 H1 108.4(6) . .
C1 Si1 H1 107.3(6) . .
C3 Si1 H1 109.9(6) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C4 C3 Si1 111.23(6) . .
C4 C3 H3A 109.4 . .
Si1 C3 H3A 109.4 . .
C4 C3 H3B 109.4 . .
Si1 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
C3 C4 C5 112.17(8) . .
C3 C4 H4A 109.2 . .
C5 C4 H4A 109.2 . .
C3 C4 H4B 109.2 . .
C5 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C4 C5 P1 113.29(6) . .
C4 C5 H5A 108.9 . .
P1 C5 H5A 108.9 . .
C4 C5 H5B 108.9 . .
P1 C5 H5B 108.9 . .
H5A C5 H5B 107.7 . .
C7 C6 C11 118.73(8) . .
C7 C6 P1 118.82(7) . .
C11 C6 P1 122.44(7) . .
C8 C7 C6 120.32(9) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C9 C8 C7 120.39(10) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C8 C9 C10 119.91(9) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C9 C10 C11 120.11(9) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C10 C11 C6 120.48(9) . .
C10 C11 H11 119.8 . .
C6 C11 H11 119.8 . .
C17 C12 C13 118.86(8) . .
C17 C12 P1 120.98(7) . .
C13 C12 P1 120.11(7) . .
C14 C13 C12 119.99(9) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C15 C14 C13 120.56(9) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C16 C15 C14 119.92(9) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 120.13(9) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C16 C17 C12 120.51(9) . .
C16 C17 H17 119.7 . .
C12 C17 H17 119.7 . .
C19 C18 C31 108.95(7) . .
C19 C18 C25 114.50(7) . .
C31 C18 C25 109.22(7) . .
C19 C18 P1 104.31(6) . .
C31 C18 P1 114.10(6) . .
C25 C18 P1 105.81(6) . .
C20 C19 C24 118.28(8) . .
C20 C19 C18 123.13(8) . .
C24 C19 C18 118.58(8) . .
C19 C20 C21 120.39(9) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C22 C21 C20 120.68(9) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C21 C22 C23 119.47(9) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 119.94(10) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C19 121.05(9) . .
C23 C24 H24 119.5 . .
C19 C24 H24 119.5 . .
C26 C25 C30 117.43(9) . .
C26 C25 C18 120.91(8) . .
C30 C25 C18 121.66(8) . .
C27 C26 C25 120.90(10) . .
C27 C26 H26 119.5 . .
C25 C26 H26 119.5 . .
C28 C27 C26 120.94(10) . .
C28 C27 H27 119.5 . .
C26 C27 H27 119.5 . .
C27 C28 C29 119.00(10) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
C28 C29 C30 120.48(10) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C29 C30 C25 121.18(10) . .
C29 C30 H30 119.4 . .
C25 C30 H30 119.4 . .
C32 C31 C36 117.37(8) . .
C32 C31 C18 123.68(8) . .
C36 C31 C18 118.32(8) . .
C33 C32 C31 121.78(9) . .
C33 C32 H32 119.1 . .
C31 C32 H32 119.1 . .
C34 C33 C32 119.98(9) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 119.26(9) . .
C33 C34 H34 120.4 . .
C35 C34 H34 120.4 . .
C34 C35 C36 120.67(9) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C35 C36 C31 120.91(9) . .
C35 C36 H36 119.5 . .
C31 C36 H36 119.5 . .
B2 B1 B4 107.82(7) . .
B2 B1 B6 60.14(6) . .
B4 B1 B6 108.21(6) . .
B2 B1 B5 108.09(7) . .
B4 B1 B5 60.17(5) . .
B6 B1 B5 60.09(5) . .
B2 B1 B3 59.88(5) . .
B4 B1 B3 59.98(6) . .
B6 B1 B3 108.25(7) . .
B5 B1 B3 108.26(6) . .
B2 B1 Cl1 121.80(6) . .
B4 B1 Cl1 122.08(6) . .
B6 B1 Cl1 120.94(6) . .
B5 B1 Cl1 121.21(6) . .
B3 B1 Cl1 122.19(6) . .
B1 B2 B3 60.35(5) . .
B1 B2 B5 108.45(7) . 3_766
B3 B2 B5 60.11(5) . 3_766
B1 B2 B4 108.08(7) . 3_766
B3 B2 B4 108.23(7) . 3_766
B5 B2 B4 60.17(5) 3_766 3_766
B1 B2 B6 60.06(6) . .
B3 B2 B6 108.55(7) . .
B5 B2 B6 108.55(7) 3_766 .
B4 B2 B6 60.09(6) 3_766 .
B1 B2 Cl2 121.67(6) . .
B3 B2 Cl2 121.42(6) . .
B5 B2 Cl2 121.29(6) 3_766 .
B4 B2 Cl2 121.63(6) 3_766 .
B6 B2 Cl2 121.48(6) . .
B2 B3 B4 107.53(7) . .
B2 B3 B5 59.97(5) . 3_766
B4 B3 B5 108.04(7) . 3_766
B2 B3 B6 107.84(7) . 3_766
B4 B3 B6 60.07(5) . 3_766
B5 B3 B6 60.09(5) 3_766 3_766
B2 B3 Cl3 121.69(6) . .
B4 B3 Cl3 122.36(6) . .
B5 B3 Cl3 121.12(6) 3_766 .
B6 B3 Cl3 121.67(6) 3_766 .
B2 B3 B1 59.77(5) . .
B4 B3 B1 59.72(5) . .
B5 B3 B1 107.89(7) 3_766 .
B6 B3 B1 107.83(7) 3_766 .
Cl3 B3 B1 122.25(6) . .
B1 B4 B2 107.83(7) . 3_766
B1 B4 B3 60.29(5) . .
B2 B4 B3 107.96(7) 3_766 .
B1 B4 B6 108.25(7) . 3_766
B2 B4 B6 60.00(5) 3_766 3_766
B3 B4 B6 60.03(5) . 3_766
B1 B4 B5 60.12(5) . .
B2 B4 B5 59.86(5) 3_766 .
B3 B4 B5 108.47(7) . .
B6 B4 B5 108.23(7) 3_766 .
B1 B4 Cl4 121.43(6) . .
B2 B4 Cl4 121.95(6) 3_766 .
B3 B4 Cl4 121.65(6) . .
B6 B4 Cl4 121.86(6) 3_766 .
B5 B4 Cl4 121.25(6) . .
B2 B5 B3 59.92(5) 3_766 3_766
B2 B5 Cl5 121.72(6) 3_766 .
B3 B5 Cl5 121.78(6) 3_766 .
B2 B5 B1 107.58(7) 3_766 .
B3 B5 B1 107.83(7) 3_766 .
Cl5 B5 B1 122.05(6) . .
B2 B5 B4 59.96(5) 3_766 .
B3 B5 B4 107.92(7) 3_766 .
Cl5 B5 B4 121.68(6) . .
B1 B5 B4 59.71(5) . .
B2 B5 B6 107.73(7) 3_766 .
B3 B5 B6 60.01(5) 3_766 .
Cl5 B5 B6 122.10(6) . .
B1 B5 B6 59.88(5) . .
B4 B5 B6 107.68(7) . .
B1 B6 B2 59.80(5) . .
B1 B6 B3 107.88(7) . 3_766
B2 B6 B3 107.79(7) . 3_766
B1 B6 B4 107.73(7) . 3_766
B2 B6 B4 59.91(5) . 3_766
B3 B6 B4 59.90(5) 3_766 3_766
B1 B6 B5 60.03(5) . .
B2 B6 B5 107.77(7) . .
B3 B6 B5 59.91(5) 3_766 .
B4 B6 B5 107.76(7) 3_766 .
B1 B6 Cl6 121.37(6) . .
B2 B6 Cl6 121.51(6) . .
B3 B6 Cl6 122.33(6) 3_766 .
B4 B6 Cl6 122.11(7) 3_766 .
B5 B6 Cl6 121.91(6) . .
C42 C37 C38 120.22(10) . .
C42 C37 Cl7 119.36(9) . .
C38 C37 Cl7 120.41(8) . .
C39 C38 C37 119.86(10) . .
C39 C38 Cl8 119.32(8) . .
C37 C38 Cl8 120.81(8) . .
C38 C39 C40 119.79(11) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C41 C40 C39 120.20(11) . .
C41 C40 H40 119.9 . .
C39 C40 H40 119.9 . .
C40 C41 C42 120.17(11) . .
C40 C41 H41 119.9 . .
C42 C41 H41 119.9 . .
C41 C42 C37 119.74(11) . .
C41 C42 H42 120.1 . .
C37 C42 H42 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C12 1.8126(9) .
P1 C6 1.8183(9) .
P1 C5 1.8232(9) .
P1 C18 1.9276(9) .
Si1 C2 1.8661(11) .
Si1 C1 1.8679(10) .
Si1 C3 1.8792(10) .
Si1 H1 1.427(15) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C4 1.5341(13) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.5381(13) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.4010(13) .
C6 C11 1.4048(13) .
C7 C8 1.3904(14) .
C7 H7 0.9500 .
C8 C9 1.3875(16) .
C8 H8 0.9500 .
C9 C10 1.3895(15) .
C9 H9 0.9500 .
C10 C11 1.3898(13) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C17 1.4008(13) .
C12 C13 1.4031(13) .
C13 C14 1.3893(14) .
C13 H13 0.9500 .
C14 C15 1.3863(14) .
C14 H14 0.9500 .
C15 C16 1.3854(14) .
C15 H15 0.9500 .
C16 C17 1.3888(14) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.5395(12) .
C18 C31 1.5461(12) .
C18 C25 1.5484(13) .
C19 C20 1.3930(12) .
C19 C24 1.4034(13) .
C20 C21 1.3960(13) .
C20 H20 0.9500 .
C21 C22 1.3842(16) .
C21 H21 0.9500 .
C22 C23 1.3905(15) .
C22 H22 0.9500 .
C23 C24 1.3888(13) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.3979(13) .
C25 C30 1.4050(13) .
C26 C27 1.3932(14) .
C26 H26 0.9500 .
C27 C28 1.3802(17) .
C27 H27 0.9500 .
C28 C29 1.3870(17) .
C28 H28 0.9500 .
C29 C30 1.3897(14) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.3968(12) .
C31 C36 1.4008(12) .
C32 C33 1.3921(13) .
C32 H32 0.9500 .
C33 C34 1.3857(15) .
C33 H33 0.9500 .
C34 C35 1.3866(14) .
C34 H34 0.9500 .
C35 C36 1.3934(13) .
C35 H35 0.9500 .
C36 H36 0.9500 .
Cl1 B1 1.7919(9) .
Cl2 B2 1.7916(10) .
Cl3 B3 1.7880(10) .
Cl4 B4 1.7905(10) .
Cl5 B5 1.7861(10) .
Cl6 B6 1.7892(10) .
B1 B2 1.7799(14) .
B1 B4 1.7799(14) .
B1 B6 1.7846(14) .
B1 B5 1.7874(13) .
B1 B3 1.7902(13) .
B2 B3 1.7818(14) .
B2 B5 1.7828(14) 3_766
B2 B4 1.7845(14) 3_766
B2 B6 1.7861(14) .
B3 B4 1.7846(14) .
B3 B5 1.7851(14) 3_766
B3 B6 1.7869(13) 3_766
B4 B2 1.7845(14) 3_766
B4 B6 1.7878(14) 3_766
B4 B5 1.7883(14) .
B5 B2 1.7827(14) 3_766
B5 B3 1.7852(14) 3_766
B5 B6 1.7884(14) .
B6 B3 1.7870(13) 3_766
B6 B4 1.7878(14) 3_766
Cl7 C37 1.7301(11) .
Cl8 C38 1.7211(10) .
C37 C42 1.3876(15) .
C37 C38 1.3903(15) .
C38 C39 1.3883(15) .
C39 C40 1.3887(17) .
C39 H39 0.9500 .
C40 C41 1.3848(19) .
C40 H40 0.9500 .
C41 C42 1.3861(18) .
C41 H41 0.9500 .
C42 H42 0.9500 .
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
C2 Si1 C3 C4 -67.35(8) . .
C1 Si1 C3 C4 170.58(7) . .
Si1 C3 C4 C5 173.65(7) . .
C3 C4 C5 P1 -173.17(7) . .
C12 P1 C5 C4 -42.18(8) . .
C6 P1 C5 C4 72.91(8) . .
C18 P1 C5 C4 -167.43(6) . .
C12 P1 C6 C7 120.37(8) . .
C5 P1 C6 C7 4.64(9) . .
C18 P1 C6 C7 -115.97(8) . .
C12 P1 C6 C11 -58.17(8) . .
C5 P1 C6 C11 -173.90(7) . .
C18 P1 C6 C11 65.49(8) . .
C11 C6 C7 C8 1.41(15) . .
P1 C6 C7 C8 -177.19(9) . .
C6 C7 C8 C9 0.53(17) . .
C7 C8 C9 C10 -1.53(18) . .
C8 C9 C10 C11 0.56(17) . .
C9 C10 C11 C6 1.41(15) . .
C7 C6 C11 C10 -2.37(14) . .
P1 C6 C11 C10 176.17(7) . .
C6 P1 C12 C17 13.94(9) . .
C5 P1 C12 C17 128.41(8) . .
C18 P1 C12 C17 -107.55(8) . .
C6 P1 C12 C13 -163.75(7) . .
C5 P1 C12 C13 -49.27(8) . .
C18 P1 C12 C13 74.76(8) . .
C17 C12 C13 C14 1.71(14) . .
P1 C12 C13 C14 179.44(7) . .
C12 C13 C14 C15 -0.52(15) . .
C13 C14 C15 C16 -0.68(15) . .
C14 C15 C16 C17 0.65(16) . .
C15 C16 C17 C12 0.56(15) . .
C13 C12 C17 C16 -1.73(14) . .
P1 C12 C17 C16 -179.45(8) . .
C12 P1 C18 C19 68.92(6) . .
C6 P1 C18 C19 -51.13(7) . .
C5 P1 C18 C19 -168.72(6) . .
C12 P1 C18 C31 -49.84(7) . .
C6 P1 C18 C31 -169.90(6) . .
C5 P1 C18 C31 72.52(7) . .
C12 P1 C18 C25 -169.94(5) . .
C6 P1 C18 C25 70.00(6) . .
C5 P1 C18 C25 -47.58(7) . .
C31 C18 C19 C20 -123.39(9) . .
C25 C18 C19 C20 -0.78(12) . .
P1 C18 C19 C20 114.39(8) . .
C31 C18 C19 C24 55.41(10) . .
C25 C18 C19 C24 178.02(8) . .
P1 C18 C19 C24 -66.81(9) . .
C24 C19 C20 C21 3.33(14) . .
C18 C19 C20 C21 -177.87(9) . .
C19 C20 C21 C22 0.55(15) . .
C20 C21 C22 C23 -3.47(16) . .
C21 C22 C23 C24 2.41(16) . .
C22 C23 C24 C19 1.55(15) . .
C20 C19 C24 C23 -4.39(14) . .
C18 C19 C24 C23 176.76(8) . .
C19 C18 C25 C26 -121.69(9) . .
C31 C18 C25 C26 0.77(11) . .
P1 C18 C25 C26 124.02(8) . .
C19 C18 C25 C30 58.12(11) . .
C31 C18 C25 C30 -179.42(8) . .
P1 C18 C25 C30 -56.18(9) . .
C30 C25 C26 C27 1.06(14) . .
C18 C25 C26 C27 -179.12(9) . .
C25 C26 C27 C28 1.26(16) . .
C26 C27 C28 C29 -2.12(16) . .
C27 C28 C29 C30 0.65(16) . .
C28 C29 C30 C25 1.72(16) . .
C26 C25 C30 C29 -2.53(14) . .
C18 C25 C30 C29 177.65(9) . .
C19 C18 C31 C32 -155.79(9) . .
C25 C18 C31 C32 78.48(10) . .
P1 C18 C31 C32 -39.69(11) . .
C19 C18 C31 C36 33.56(11) . .
C25 C18 C31 C36 -92.18(9) . .
P1 C18 C31 C36 149.65(7) . .
C36 C31 C32 C33 -1.28(14) . .
C18 C31 C32 C33 -172.02(9) . .
C31 C32 C33 C34 0.77(16) . .
C32 C33 C34 C35 0.34(16) . .
C33 C34 C35 C36 -0.88(16) . .
C34 C35 C36 C31 0.33(15) . .
C32 C31 C36 C35 0.73(14) . .
C18 C31 C36 C35 171.98(9) . .
B4 B1 B2 B3 -37.44(6) . .
B6 B1 B2 B3 -138.63(7) . .
B5 B1 B2 B3 -101.04(7) . .
Cl1 B1 B2 B3 111.40(8) . .
B4 B1 B2 B5 -0.05(9) . 3_766
B6 B1 B2 B5 -101.23(7) . 3_766
B5 B1 B2 B5 -63.64(9) . 3_766
B3 B1 B2 B5 37.39(6) . 3_766
Cl1 B1 B2 B5 148.80(7) . 3_766
B4 B1 B2 B4 63.68(9) . 3_766
B6 B1 B2 B4 -37.51(6) . 3_766
B5 B1 B2 B4 0.08(9) . 3_766
B3 B1 B2 B4 101.12(7) . 3_766
Cl1 B1 B2 B4 -147.48(7) . 3_766
B4 B1 B2 B6 101.19(7) . .
B5 B1 B2 B6 37.59(6) . .
B3 B1 B2 B6 138.63(7) . .
Cl1 B1 B2 B6 -109.97(8) . .
B4 B1 B2 Cl2 -148.15(7) . .
B6 B1 B2 Cl2 110.66(8) . .
B5 B1 B2 Cl2 148.25(7) . .
B3 B1 B2 Cl2 -110.71(8) . .
Cl1 B1 B2 Cl2 0.69(11) . .
B1 B2 B3 B4 37.25(6) . .
B5 B2 B3 B4 -101.10(7) 3_766 .
B4 B2 B3 B4 -63.61(9) 3_766 .
B6 B2 B3 B4 0.09(9) . .
Cl2 B2 B3 B4 148.36(6) . .
B1 B2 B3 B5 138.36(7) . 3_766
B4 B2 B3 B5 37.49(6) 3_766 3_766
B6 B2 B3 B5 101.19(7) . 3_766
Cl2 B2 B3 B5 -110.54(8) . 3_766
B1 B2 B3 B6 100.64(7) . 3_766
B5 B2 B3 B6 -37.71(6) 3_766 3_766
B4 B2 B3 B6 -0.22(9) 3_766 3_766
B6 B2 B3 B6 63.48(9) . 3_766
Cl2 B2 B3 B6 -148.25(7) . 3_766
B1 B2 B3 Cl3 -111.47(8) . .
B5 B2 B3 Cl3 110.17(8) 3_766 .
B4 B2 B3 Cl3 147.66(7) 3_766 .
B6 B2 B3 Cl3 -148.64(6) . .
Cl2 B2 B3 Cl3 -0.37(11) . .
B5 B2 B3 B1 -138.36(7) 3_766 .
B4 B2 B3 B1 -100.86(7) 3_766 .
B6 B2 B3 B1 -37.17(6) . .
Cl2 B2 B3 B1 111.11(8) . .
B4 B1 B3 B2 138.05(7) . .
B6 B1 B3 B2 37.13(6) . .
B5 B1 B3 B2 100.76(7) . .
Cl1 B1 B3 B2 -110.78(8) . .
B2 B1 B3 B4 -138.05(7) . .
B6 B1 B3 B4 -100.93(7) . .
B5 B1 B3 B4 -37.30(6) . .
Cl1 B1 B3 B4 111.17(8) . .
B2 B1 B3 B5 -37.20(6) . 3_766
B4 B1 B3 B5 100.86(7) . 3_766
B6 B1 B3 B5 -0.07(9) . 3_766
B5 B1 B3 B5 63.56(9) . 3_766
Cl1 B1 B3 B5 -147.97(7) . 3_766
B2 B1 B3 B6 -100.67(7) . 3_766
B4 B1 B3 B6 37.38(6) . 3_766
B6 B1 B3 B6 -63.54(9) . 3_766
B5 B1 B3 B6 0.09(9) . 3_766
Cl1 B1 B3 B6 148.55(7) . 3_766
B2 B1 B3 Cl3 110.56(8) . .
B4 B1 B3 Cl3 -111.38(8) . .
B6 B1 B3 Cl3 147.69(7) . .
B5 B1 B3 Cl3 -148.68(7) . .
Cl1 B1 B3 Cl3 -0.21(11) . .
B2 B1 B4 B2 -63.52(9) . 3_766
B6 B1 B4 B2 0.07(9) . 3_766
B5 B1 B4 B2 37.53(6) . 3_766
B3 B1 B4 B2 -100.92(7) . 3_766
Cl1 B1 B4 B2 147.74(7) . 3_766
B2 B1 B4 B3 37.39(6) . .
B6 B1 B4 B3 100.99(7) . .
B5 B1 B4 B3 138.44(7) . .
Cl1 B1 B4 B3 -111.35(8) . .
B2 B1 B4 B6 -0.07(9) . 3_766
B6 B1 B4 B6 63.52(9) . 3_766
B5 B1 B4 B6 100.98(7) . 3_766
B3 B1 B4 B6 -37.47(6) . 3_766
Cl1 B1 B4 B6 -148.81(6) . 3_766
B2 B1 B4 B5 -101.05(7) . .
B6 B1 B4 B5 -37.46(6) . .
B3 B1 B4 B5 -138.44(7) . .
Cl1 B1 B4 B5 110.21(8) . .
B2 B1 B4 Cl4 148.46(7) . .
B6 B1 B4 Cl4 -147.95(7) . .
B5 B1 B4 Cl4 -110.49(8) . .
B3 B1 B4 Cl4 111.06(8) . .
Cl1 B1 B4 Cl4 -0.28(11) . .
B2 B3 B4 B1 -37.28(6) . .
B5 B3 B4 B1 -100.60(7) 3_766 .
B6 B3 B4 B1 -138.17(7) 3_766 .
Cl3 B3 B4 B1 111.19(8) . .
B2 B3 B4 B2 63.43(9) . 3_766
B5 B3 B4 B2 0.11(9) 3_766 3_766
B6 B3 B4 B2 -37.47(6) 3_766 3_766
Cl3 B3 B4 B2 -148.10(6) . 3_766
B1 B3 B4 B2 100.70(7) . 3_766
B2 B3 B4 B6 100.89(7) . 3_766
B5 B3 B4 B6 37.57(6) 3_766 3_766
Cl3 B3 B4 B6 -110.64(8) . 3_766
B1 B3 B4 B6 138.17(7) . 3_766
B2 B3 B4 B5 0.05(9) . .
B5 B3 B4 B5 -63.27(9) 3_766 .
B6 B3 B4 B5 -100.84(7) 3_766 .
Cl3 B3 B4 B5 148.52(6) . .
B1 B3 B4 B5 37.33(6) . .
B2 B3 B4 Cl4 -147.99(7) . .
B5 B3 B4 Cl4 148.69(7) 3_766 .
B6 B3 B4 Cl4 111.12(8) 3_766 .
Cl3 B3 B4 Cl4 0.48(11) . .
B1 B3 B4 Cl4 -110.71(8) . .
B2 B1 B5 B2 63.08(9) . 3_766
B4 B1 B5 B2 -37.51(6) . 3_766
B6 B1 B5 B2 100.69(7) . 3_766
B3 B1 B5 B2 -0.29(9) . 3_766
Cl1 B1 B5 B2 -149.13(7) . 3_766
B2 B1 B5 B3 -0.15(9) . 3_766
B4 B1 B5 B3 -100.74(7) . 3_766
B6 B1 B5 B3 37.46(6) . 3_766
B3 B1 B5 B3 -63.52(9) . 3_766
Cl1 B1 B5 B3 147.64(7) . 3_766
B2 B1 B5 Cl5 -148.81(7) . .
B4 B1 B5 Cl5 110.60(8) . .
B6 B1 B5 Cl5 -111.20(8) . .
B3 B1 B5 Cl5 147.82(7) . .
Cl1 B1 B5 Cl5 -1.02(11) . .
B2 B1 B5 B4 100.59(7) . .
B6 B1 B5 B4 138.20(7) . .
B3 B1 B5 B4 37.21(6) . .
Cl1 B1 B5 B4 -111.62(8) . .
B2 B1 B5 B6 -37.61(6) . .
B4 B1 B5 B6 -138.20(7) . .
B3 B1 B5 B6 -100.99(7) . .
Cl1 B1 B5 B6 110.18(8) . .
B1 B4 B5 B2 137.89(7) . 3_766
B3 B4 B5 B2 100.49(7) . 3_766
B6 B4 B5 B2 36.88(6) 3_766 3_766
Cl4 B4 B5 B2 -111.32(8) . 3_766
B1 B4 B5 B3 100.59(7) . 3_766
B2 B4 B5 B3 -37.30(6) 3_766 3_766
B3 B4 B5 B3 63.19(9) . 3_766
B6 B4 B5 B3 -0.42(9) 3_766 3_766
Cl4 B4 B5 B3 -148.62(7) . 3_766
B1 B4 B5 Cl5 -111.20(8) . .
B2 B4 B5 Cl5 110.90(8) 3_766 .
B3 B4 B5 Cl5 -148.61(6) . .
B6 B4 B5 Cl5 147.79(6) 3_766 .
Cl4 B4 B5 Cl5 -0.41(11) . .
B2 B4 B5 B1 -137.89(7) 3_766 .
B3 B4 B5 B1 -37.40(6) . .
B6 B4 B5 B1 -101.01(7) 3_766 .
Cl4 B4 B5 B1 110.79(8) . .
B1 B4 B5 B6 37.23(6) . .
B2 B4 B5 B6 -100.66(7) 3_766 .
B3 B4 B5 B6 -0.17(9) . .
B6 B4 B5 B6 -63.78(9) 3_766 .
Cl4 B4 B5 B6 148.02(6) . .
B4 B1 B6 B2 -100.52(7) . .
B5 B1 B6 B2 -138.01(7) . .
B3 B1 B6 B2 -37.01(6) . .
Cl1 B1 B6 B2 111.37(8) . .
B2 B1 B6 B3 100.58(7) . 3_766
B4 B1 B6 B3 0.06(9) . 3_766
B5 B1 B6 B3 -37.43(6) . 3_766
B3 B1 B6 B3 63.57(9) . 3_766
Cl1 B1 B6 B3 -148.04(6) . 3_766
B2 B1 B6 B4 37.34(6) . 3_766
B4 B1 B6 B4 -63.18(9) . 3_766
B5 B1 B6 B4 -100.68(7) . 3_766
B3 B1 B6 B4 0.33(9) . 3_766
Cl1 B1 B6 B4 148.71(6) . 3_766
B2 B1 B6 B5 138.01(7) . .
B4 B1 B6 B5 37.49(6) . .
B3 B1 B6 B5 101.00(7) . .
Cl1 B1 B6 B5 -110.61(8) . .
B2 B1 B6 Cl6 -110.70(8) . .
B4 B1 B6 Cl6 148.78(7) . .
B5 B1 B6 Cl6 111.29(8) . .
B3 B1 B6 Cl6 -147.71(7) . .
Cl1 B1 B6 Cl6 0.67(11) . .
B3 B2 B6 B1 37.29(6) . .
B5 B2 B6 B1 101.07(7) 3_766 .
B4 B2 B6 B1 138.11(7) 3_766 .
Cl2 B2 B6 B1 -110.96(8) . .
B1 B2 B6 B3 -100.73(7) . 3_766
B3 B2 B6 B3 -63.44(9) . 3_766
B5 B2 B6 B3 0.34(9) 3_766 3_766
B4 B2 B6 B3 37.38(6) 3_766 3_766
Cl2 B2 B6 B3 148.31(7) . 3_766
B1 B2 B6 B4 -138.11(7) . 3_766
B3 B2 B6 B4 -100.82(7) . 3_766
B5 B2 B6 B4 -37.04(6) 3_766 3_766
Cl2 B2 B6 B4 110.93(8) . 3_766
B1 B2 B6 B5 -37.49(6) . .
B3 B2 B6 B5 -0.19(9) . .
B5 B2 B6 B5 63.58(9) 3_766 .
B4 B2 B6 B5 100.62(7) 3_766 .
Cl2 B2 B6 B5 -148.44(6) . .
B1 B2 B6 Cl6 110.46(8) . .
B3 B2 B6 Cl6 147.75(7) . .
B5 B2 B6 Cl6 -148.47(7) 3_766 .
B4 B2 B6 Cl6 -111.43(8) 3_766 .
Cl2 B2 B6 Cl6 -0.50(11) . .
B2 B5 B6 B1 -100.43(7) 3_766 .
B3 B5 B6 B1 -138.04(7) 3_766 .
Cl5 B5 B6 B1 111.12(8) . .
B4 B5 B6 B1 -37.16(6) . .
B2 B5 B6 B2 -63.05(9) 3_766 .
B3 B5 B6 B2 -100.66(7) 3_766 .
Cl5 B5 B6 B2 148.50(6) . .
B1 B5 B6 B2 37.38(6) . .
B4 B5 B6 B2 0.22(9) . .
B2 B5 B6 B3 37.61(6) 3_766 3_766
Cl5 B5 B6 B3 -110.84(8) . 3_766
B1 B5 B6 B3 138.04(7) . 3_766
B4 B5 B6 B3 100.89(7) . 3_766
B2 B5 B6 B4 0.19(9) 3_766 3_766
B3 B5 B6 B4 -37.42(6) 3_766 3_766
Cl5 B5 B6 B4 -148.26(7) . 3_766
B1 B5 B6 B4 100.63(7) . 3_766
B4 B5 B6 B4 63.47(9) . 3_766
B2 B5 B6 Cl6 149.15(7) 3_766 .
B3 B5 B6 Cl6 111.54(8) 3_766 .
Cl5 B5 B6 Cl6 0.70(11) . .
B1 B5 B6 Cl6 -110.41(8) . .
B4 B5 B6 Cl6 -147.57(6) . .
C42 C37 C38 C39 0.84(16) . .
Cl7 C37 C38 C39 -178.13(8) . .
C42 C37 C38 Cl8 179.72(8) . .
Cl7 C37 C38 Cl8 0.76(12) . .
C37 C38 C39 C40 0.41(16) . .
Cl8 C38 C39 C40 -178.49(9) . .
C38 C39 C40 C41 -1.17(18) . .
C39 C40 C41 C42 0.68(19) . .
C40 C41 C42 C37 0.56(19) . .
C38 C37 C42 C41 -1.33(17) . .
Cl7 C37 C42 C41 177.65(9) . .
