#------------------------------------------------------------------------------
#$Date: 2025-03-04 21:07:03 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298105 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/37/1573772.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_1573772
loop_
_publ_author_name
'Wang, Zhen'
'Yu, Jiahui'
'Zhang, Jie'
'Zhang, Dengsong'
'Qiu, Zaozao'
'Xie, Zuowei'
_publ_section_title
;
 Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of
 BH/CH between o-carborane and arenes.
;
_journal_issue                   8
_journal_name_full               'Chemical science'
_journal_page_first              3705
_journal_page_last               3712
_journal_paper_doi               10.1039/d4sc08496a
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C18 H28 B10 Si'
_chemical_formula_sum            'C18 H28 B10 Si'
_chemical_formula_weight         380.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-08-18
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-11-29 deposited with the CCDC.	2025-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.5630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7343(2)
_cell_length_b                   15.4690(3)
_cell_length_c                   13.0999(2)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      54.940
_cell_measurement_theta_min      3.855
_cell_volume                     2168.33(7)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      213.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28891
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.989
_diffrn_reflns_theta_min         3.854
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.5502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1774 before and 0.0727 after correction.
The Ratio of minimum to maximum transmission is 0.7328.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4101
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0546P)²+0.8126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1134
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3412
_reflns_number_total             4101
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc08496a2.cif
_cod_data_source_block           14b
_cod_depositor_comments
'Adding full bibliography for 1573766--1573777.cif.'
_cod_database_code               1573772
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.971
_shelx_estimated_absorpt_t_min   0.959
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7A), C8(H8A), C9(H9A), C10(H10A), C15(H15), C16(H16), C17(H17), C18(H18)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C)
2.d Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11), B12(H12)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.52585(13) 0.28810(9) 0.24004(11) 0.0224(3) Uani 1 1 d . . . . .
Si1 Si 0.62883(4) 0.26861(3) 0.01765(3) 0.03088(15) Uani 1 1 d . . . . .
C2 C 0.60319(14) 0.33154(10) 0.14188(11) 0.0242(3) Uani 1 1 d . . . . .
B3 B 0.45445(17) 0.36712(12) 0.15947(14) 0.0301(4) Uani 1 1 d . . . . .
H3 H 0.372983 0.354129 0.103993 0.036 Uiso 1 1 calc R U . . .
C3 C 0.4819(2) 0.27223(15) -0.06782(14) 0.0505(5) Uani 1 1 d . . . . .
H3A H 0.457784 0.331947 -0.080420 0.076 Uiso 1 1 calc R U . . .
H3B H 0.416136 0.242416 -0.035317 0.076 Uiso 1 1 calc R U . . .
H3C H 0.495329 0.244226 -0.132292 0.076 Uiso 1 1 calc R U . . .
B4 B 0.44147(18) 0.36779(12) 0.29339(15) 0.0313(4) Uani 1 1 d . . . . .
H4 H 0.350620 0.356154 0.325993 0.038 Uiso 1 1 calc R U . . .
C4 C 0.6777(2) 0.15564(12) 0.04617(14) 0.0474(5) Uani 1 1 d . . . . .
H4A H 0.704661 0.128867 -0.015324 0.071 Uiso 1 1 calc R U . . .
H4B H 0.607878 0.123493 0.069642 0.071 Uiso 1 1 calc R U . . .
H4C H 0.746274 0.155450 0.099104 0.071 Uiso 1 1 calc R U . . .
B5 B 0.58476(17) 0.32874(11) 0.35614(13) 0.0256(4) Uani 1 1 d . . . . .
C5 C 0.75142(18) 0.32757(13) -0.04567(14) 0.0446(5) Uani 1 1 d . . . . .
H5A H 0.830504 0.322212 -0.004878 0.067 Uiso 1 1 calc R U . . .
H5B H 0.728768 0.388134 -0.052200 0.067 Uiso 1 1 calc R U . . .
H5C H 0.759236 0.303259 -0.113116 0.067 Uiso 1 1 calc R U . . .
B6 B 0.68513(16) 0.30547(11) 0.25493(12) 0.0235(4) Uani 1 1 d . . . . .
H6 H 0.738288 0.264641 0.259595 0.028 Uiso 1 1 calc R U . . .
C6 C 0.47829(14) 0.19580(9) 0.23170(11) 0.0237(3) Uani 1 1 d . . . . .
B7 B 0.57379(18) 0.44007(12) 0.13173(14) 0.0318(4) Uani 1 1 d . . . . .
H7 H 0.570579 0.475856 0.058123 0.038 Uiso 1 1 calc R U . . .
C7 C 0.37406(15) 0.17824(11) 0.16417(13) 0.0322(4) Uani 1 1 d . . . . .
H7A H 0.334562 0.224079 0.127272 0.039 Uiso 1 1 calc R U . . .
B8 B 0.4722(2) 0.46503(12) 0.22770(16) 0.0370(5) Uani 1 1 d . . . . .
H8 H 0.401713 0.517517 0.217835 0.044 Uiso 1 1 calc R U . . .
C8 C 0.32737(17) 0.09573(12) 0.14999(15) 0.0424(5) Uani 1 1 d . . . . .
H8A H 0.258113 0.085552 0.102997 0.051 Uiso 1 1 calc R U . . .
B9 B 0.5541(2) 0.44225(12) 0.34807(15) 0.0361(5) Uani 1 1 d . . . . .
H9 H 0.537596 0.480426 0.417474 0.043 Uiso 1 1 calc R U . . .
C9 C 0.38275(18) 0.02850(12) 0.20503(15) 0.0451(5) Uani 1 1 d . . . . .
H9A H 0.352764 -0.028215 0.195079 0.054 Uiso 1 1 calc R U . . .
B10 B 0.70547(19) 0.40245(12) 0.32600(14) 0.0316(4) Uani 1 1 d . . . . .
H10 H 0.788355 0.413451 0.380676 0.038 Uiso 1 1 calc R U . . .
C10 C 0.48277(16) 0.04501(10) 0.27502(13) 0.0347(4) Uani 1 1 d . . . . .
H10A H 0.518594 -0.001282 0.313466 0.042 Uiso 1 1 calc R U . . .
B11 B 0.71594(18) 0.40249(12) 0.19170(14) 0.0296(4) Uani 1 1 d . . . . .
H11 H 0.806079 0.413848 0.157835 0.036 Uiso 1 1 calc R U . . .
C11 C 0.53295(14) 0.12737(9) 0.29114(11) 0.0242(3) Uani 1 1 d . . . . .
B12 B 0.6351(2) 0.48708(12) 0.24859(15) 0.0359(5) Uani 1 1 d . . . . .
H12 H 0.671647 0.554217 0.252846 0.043 Uiso 1 1 calc R U . . .
C12 C 0.63902(14) 0.13466(10) 0.37507(11) 0.0262(3) Uani 1 1 d . . . . .
H12A H 0.664094 0.076428 0.397879 0.031 Uiso 1 1 calc R U . . .
H12B H 0.711067 0.161805 0.346507 0.031 Uiso 1 1 calc R U . . .
C13 C 0.60506(14) 0.18639(10) 0.46642(11) 0.0250(3) Uani 1 1 d . . . . .
C14 C 0.57832(14) 0.27484(9) 0.45804(11) 0.0249(3) Uani 1 1 d . . . . .
C15 C 0.54206(16) 0.31774(10) 0.54481(12) 0.0309(4) Uani 1 1 d . . . . .
H15 H 0.521945 0.376820 0.540082 0.037 Uiso 1 1 calc R U . . .
C16 C 0.53491(18) 0.27578(11) 0.63748(13) 0.0368(4) Uani 1 1 d . . . . .
H16 H 0.510194 0.306197 0.694617 0.044 Uiso 1 1 calc R U . . .
C17 C 0.56427(17) 0.18902(11) 0.64559(12) 0.0363(4) Uani 1 1 d . . . . .
H17 H 0.561172 0.160239 0.708529 0.044 Uiso 1 1 calc R U . . .
C18 C 0.59826(15) 0.14483(11) 0.56036(12) 0.0309(4) Uani 1 1 d . . . . .
H18 H 0.617163 0.085595 0.565809 0.037 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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
_geom_angle_publ_flag
C2 C1 B3 59.42(9) . . ?
C2 C1 B6 59.44(9) . . ?
B4 C1 C2 109.03(11) . . ?
B4 C1 B3 61.50(10) . . ?
B4 C1 B5 62.91(10) . . ?
B4 C1 B6 113.16(12) . . ?
B5 C1 C2 110.66(11) . . ?
B5 C1 B3 112.98(12) . . ?
B5 C1 B6 63.38(10) . . ?
B6 C1 B3 109.96(11) . . ?
C6 C1 C2 119.54(11) . . ?
C6 C1 B3 119.00(12) . . ?
C6 C1 B4 121.41(12) . . ?
C6 C1 B5 120.39(12) . . ?
C6 C1 B6 118.64(12) . . ?
C3 Si1 C2 108.70(8) . . ?
C4 Si1 C2 111.21(7) . . ?
C4 Si1 C3 111.25(10) . . ?
C5 Si1 C2 106.43(8) . . ?
C5 Si1 C3 108.31(9) . . ?
C5 Si1 C4 110.78(9) . . ?
C1 C2 Si1 122.76(10) . . ?
C1 C2 B11 109.36(11) . . ?
B3 C2 C1 61.14(9) . . ?
B3 C2 Si1 117.97(11) . . ?
B3 C2 B11 112.12(13) . . ?
B6 C2 C1 60.42(9) . . ?
B6 C2 Si1 120.81(10) . . ?
B6 C2 B3 112.22(12) . . ?
B6 C2 B7 112.19(12) . . ?
B6 C2 B11 61.62(10) . . ?
B7 C2 C1 110.12(11) . . ?
B7 C2 Si1 117.77(10) . . ?
B7 C2 B3 61.94(10) . . ?
B7 C2 B11 61.60(10) . . ?
B11 C2 Si1 119.76(10) . . ?
C1 B3 H3 123.5 . . ?
C1 B3 B4 58.14(9) . . ?
C1 B3 B7 106.27(12) . . ?
C1 B3 B8 105.66(13) . . ?
C2 B3 C1 59.43(9) . . ?
C2 B3 H3 123.0 . . ?
C2 B3 B4 106.34(12) . . ?
C2 B3 B7 58.75(10) . . ?
C2 B3 B8 106.20(13) . . ?
B4 B3 H3 122.0 . . ?
B7 B3 H3 121.8 . . ?
B7 B3 B4 108.39(14) . . ?
B8 B3 H3 122.4 . . ?
B8 B3 B4 60.40(11) . . ?
B8 B3 B7 60.28(11) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 B4 B3 60.35(10) . . ?
C1 B4 H4 123.4 . . ?
C1 B4 B5 58.75(9) . . ?
C1 B4 B8 106.71(12) . . ?
C1 B4 B9 105.43(13) . . ?
B3 B4 H4 121.4 . . ?
B3 B4 B5 108.69(12) . . ?
B3 B4 B8 59.53(11) . . ?
B3 B4 B9 107.36(13) . . ?
B5 B4 H4 121.2 . . ?
B8 B4 H4 121.7 . . ?
B8 B4 B5 108.81(14) . . ?
B8 B4 B9 60.04(11) . . ?
B9 B4 H4 122.7 . . ?
B9 B4 B5 60.13(11) . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 B5 B4 58.34(10) . . ?
C1 B5 B6 58.51(9) . . ?
C1 B5 B9 104.70(12) . . ?
C1 B5 B10 105.02(12) . . ?
B4 B5 B6 105.69(12) . . ?
B4 B5 B10 107.08(12) . . ?
B9 B5 B4 59.60(11) . . ?
B9 B5 B6 105.64(12) . . ?
B9 B5 B10 59.71(11) . . ?
B10 B5 B6 58.84(10) . . ?
C14 B5 C1 121.11(13) . . ?
C14 B5 B4 118.18(13) . . ?
C14 B5 B6 125.63(13) . . ?
C14 B5 B9 123.22(13) . . ?
C14 B5 B10 127.05(14) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 B6 B5 58.12(9) . . ?
C1 B6 H6 123.1 . . ?
C1 B6 B10 105.72(12) . . ?
C1 B6 B11 107.54(12) . . ?
C2 B6 C1 60.14(9) . . ?
C2 B6 B5 107.01(12) . . ?
C2 B6 H6 122.3 . . ?
C2 B6 B10 106.81(12) . . ?
C2 B6 B11 59.58(9) . . ?
B5 B6 H6 122.0 . . ?
B10 B6 B5 60.12(10) . . ?
B10 B6 H6 122.5 . . ?
B11 B6 B5 108.70(12) . . ?
B11 B6 H6 121.2 . . ?
B11 B6 B10 60.29(10) . . ?
C7 C6 C1 118.47(13) . . ?
C7 C6 C11 118.66(14) . . ?
C11 C6 C1 122.85(13) . . ?
C2 B7 B3 59.31(10) . . ?
C2 B7 H7 123.3 . . ?
C2 B7 B8 106.19(12) . . ?
C2 B7 B11 59.53(10) . . ?
C2 B7 B12 106.36(13) . . ?
B3 B7 H7 121.6 . . ?
B3 B7 B8 59.71(11) . . ?
B3 B7 B12 108.05(13) . . ?
B8 B7 H7 122.0 . . ?
B8 B7 B12 60.35(12) . . ?
B11 B7 B3 108.34(12) . . ?
B11 B7 H7 121.2 . . ?
B11 B7 B8 108.45(14) . . ?
B11 B7 B12 60.04(11) . . ?
B12 B7 H7 121.9 . . ?
C6 C7 H7A 119.0 . . ?
C8 C7 C6 122.00(15) . . ?
C8 C7 H7A 119.0 . . ?
B3 B8 B4 60.07(11) . . ?
B3 B8 B7 60.00(11) . . ?
B3 B8 H8 121.7 . . ?
B3 B8 B9 107.78(13) . . ?
B3 B8 B12 107.91(14) . . ?
B4 B8 H8 121.7 . . ?
B4 B8 B9 60.03(11) . . ?
B4 B8 B12 107.77(14) . . ?
B7 B8 B4 107.91(13) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B9 107.28(14) . . ?
B7 B8 B12 59.88(11) . . ?
B9 B8 H8 122.2 . . ?
B9 B8 B12 59.45(11) . . ?
B12 B8 H8 122.0 . . ?
C7 C8 H8A 120.2 . . ?
C9 C8 C7 119.53(16) . . ?
C9 C8 H8A 120.2 . . ?
B4 B9 B5 60.26(10) . . ?
B4 B9 B8 59.93(11) . . ?
B4 B9 H9 121.8 . . ?
B4 B9 B10 108.07(13) . . ?
B5 B9 H9 121.0 . . ?
B8 B9 B5 108.83(13) . . ?
B8 B9 H9 121.4 . . ?
B8 B9 B10 108.50(13) . . ?
B10 B9 B5 60.29(10) . . ?
B10 B9 H9 121.6 . . ?
B12 B9 B4 108.42(14) . . ?
B12 B9 B5 109.27(13) . . ?
B12 B9 B8 60.37(11) . . ?
B12 B9 H9 121.0 . . ?
B12 B9 B10 60.45(11) . . ?
C8 C9 H9A 120.3 . . ?
C8 C9 C10 119.36(16) . . ?
C10 C9 H9A 120.3 . . ?
B5 B10 H10 120.8 . . ?
B6 B10 B5 61.05(10) . . ?
B6 B10 B9 107.58(13) . . ?
B6 B10 H10 121.9 . . ?
B6 B10 B11 59.53(10) . . ?
B6 B10 B12 107.08(13) . . ?
B9 B10 B5 60.00(10) . . ?
B9 B10 H10 122.4 . . ?
B9 B10 B12 59.29(11) . . ?
B11 B10 B5 108.84(13) . . ?
B11 B10 B9 106.95(13) . . ?
B11 B10 H10 122.0 . . ?
B11 B10 B12 59.56(10) . . ?
B12 B10 B5 108.10(14) . . ?
B12 B10 H10 122.3 . . ?
C9 C10 H10A 118.6 . . ?
C9 C10 C11 122.78(16) . . ?
C11 C10 H10A 118.6 . . ?
C2 B11 B6 58.80(9) . . ?
C2 B11 B7 58.87(10) . . ?
C2 B11 B10 106.12(12) . . ?
C2 B11 H11 123.9 . . ?
C2 B11 B12 106.12(13) . . ?
B6 B11 B7 107.67(13) . . ?
B6 B11 B10 60.18(10) . . ?
B6 B11 H11 121.7 . . ?
B6 B11 B12 108.44(13) . . ?
B7 B11 B10 108.81(14) . . ?
B7 B11 H11 121.5 . . ?
B7 B11 B12 60.40(11) . . ?
B10 B11 H11 121.5 . . ?
B12 B11 B10 60.63(11) . . ?
B12 B11 H11 121.6 . . ?
C6 C11 C12 126.58(13) . . ?
C10 C11 C6 117.57(14) . . ?
C10 C11 C12 115.80(13) . . ?
B7 B12 B8 59.77(11) . . ?
B7 B12 B10 107.50(13) . . ?
B7 B12 H12 122.2 . . ?
B8 B12 B10 108.21(13) . . ?
B8 B12 H12 121.7 . . ?
B9 B12 B7 107.78(14) . . ?
B9 B12 B8 60.19(12) . . ?
B9 B12 B10 60.26(11) . . ?
B9 B12 B11 107.93(13) . . ?
B9 B12 H12 121.6 . . ?
B10 B12 H12 121.7 . . ?
B11 B12 B7 59.56(10) . . ?
B11 B12 B8 107.61(14) . . ?
B11 B12 B10 59.81(10) . . ?
B11 B12 H12 122.0 . . ?
C11 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 C11 113.46(12) . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C14 C13 C12 121.13(13) . . ?
C18 C13 C12 119.23(14) . . ?
C18 C13 C14 119.63(14) . . ?
C13 C14 B5 124.01(13) . . ?
C15 C14 B5 118.04(13) . . ?
C15 C14 C13 117.94(14) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 C14 121.94(15) . . ?
C16 C15 H15 119.0 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.67(15) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.46(15) . . ?
C18 C17 H17 120.3 . . ?
C13 C18 H18 119.3 . . ?
C17 C18 C13 121.33(15) . . ?
C17 C18 H18 119.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.722(2) . ?
C1 B3 1.751(2) . ?
C1 B4 1.712(2) . ?
C1 B5 1.719(2) . ?
C1 B6 1.726(2) . ?
C1 C6 1.517(2) . ?
Si1 C2 1.9347(15) . ?
Si1 C3 1.8607(19) . ?
Si1 C4 1.8542(19) . ?
Si1 C5 1.8507(19) . ?
C2 B3 1.722(2) . ?
C2 B6 1.709(2) . ?
C2 B7 1.711(2) . ?
C2 B11 1.723(2) . ?
B3 H3 1.1100 . ?
B3 B4 1.771(3) . ?
B3 B7 1.766(3) . ?
B3 B8 1.761(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
B4 H4 1.1100 . ?
B4 B5 1.790(3) . ?
B4 B8 1.777(3) . ?
B4 B9 1.778(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
B5 B6 1.810(2) . ?
B5 B9 1.788(2) . ?
B5 B10 1.793(3) . ?
B5 C14 1.580(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
B6 H6 0.8501 . ?
B6 B10 1.770(2) . ?
B6 B11 1.758(2) . ?
C6 C7 1.397(2) . ?
C6 C11 1.414(2) . ?
B7 H7 1.1100 . ?
B7 B8 1.771(3) . ?
B7 B11 1.759(3) . ?
B7 B12 1.773(3) . ?
C7 H7A 0.9400 . ?
C7 C8 1.378(2) . ?
B8 H8 1.1100 . ?
B8 B9 1.779(3) . ?
B8 B12 1.782(3) . ?
C8 H8A 0.9400 . ?
C8 C9 1.374(3) . ?
B9 H9 1.1100 . ?
B9 B10 1.783(3) . ?
B9 B12 1.765(3) . ?
C9 H9A 0.9400 . ?
C9 C10 1.379(3) . ?
B10 H10 1.1100 . ?
B10 B11 1.772(3) . ?
B10 B12 1.786(3) . ?
C10 H10A 0.9400 . ?
C10 C11 1.393(2) . ?
B11 H11 1.1100 . ?
B11 B12 1.767(3) . ?
C11 C12 1.523(2) . ?
B12 H12 1.1100 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 C13 1.508(2) . ?
C13 C14 1.401(2) . ?
C13 C18 1.395(2) . ?
C14 C15 1.398(2) . ?
C15 H15 0.9400 . ?
C15 C16 1.384(2) . ?
C16 H16 0.9400 . ?
C16 C17 1.381(2) . ?
C17 H17 0.9400 . ?
C17 C18 1.383(2) . ?
C18 H18 0.9400 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B3 B4 35.71(11) . . . . ?
C1 C2 B3 B7 137.64(13) . . . . ?
C1 C2 B3 B8 98.91(13) . . . . ?
C1 C2 B6 B5 -35.66(10) . . . . ?
C1 C2 B6 B10 -98.80(13) . . . . ?
C1 C2 B6 B11 -137.74(12) . . . . ?
C1 C2 B7 B3 -38.94(12) . . . . ?
C1 C2 B7 B8 -0.48(17) . . . . ?
C1 C2 B7 B11 101.73(13) . . . . ?
C1 C2 B7 B12 62.67(15) . . . . ?
C1 C2 B11 B6 38.31(11) . . . . ?
C1 C2 B11 B7 -102.97(13) . . . . ?
C1 C2 B11 B10 -0.42(16) . . . . ?
C1 C2 B11 B12 -63.80(14) . . . . ?
C1 B3 B4 B5 34.64(11) . . . . ?
C1 B3 B4 B8 135.94(14) . . . . ?
C1 B3 B4 B9 98.22(13) . . . . ?
C1 B3 B7 C2 37.18(11) . . . . ?
C1 B3 B7 B8 -99.05(14) . . . . ?
C1 B3 B7 B11 2.05(17) . . . . ?
C1 B3 B7 B12 -61.51(16) . . . . ?
C1 B3 B8 B4 -37.84(12) . . . . ?
C1 B3 B8 B7 100.07(13) . . . . ?
C1 B3 B8 B9 -0.01(17) . . . . ?
C1 B3 B8 B12 62.77(15) . . . . ?
C1 B4 B5 B6 35.83(11) . . . . ?
C1 B4 B5 B9 135.03(13) . . . . ?
C1 B4 B5 B10 97.41(13) . . . . ?
C1 B4 B5 C14 -110.99(15) . . . . ?
C1 B4 B8 B3 39.12(12) . . . . ?
C1 B4 B8 B7 1.53(19) . . . . ?
C1 B4 B8 B9 -98.49(14) . . . . ?
C1 B4 B8 B12 -61.72(17) . . . . ?
C1 B4 B9 B5 -38.81(11) . . . . ?
C1 B4 B9 B8 100.67(13) . . . . ?
C1 B4 B9 B10 -0.69(16) . . . . ?
C1 B4 B9 B12 63.33(16) . . . . ?
C1 B5 B6 C2 36.55(10) . . . . ?
C1 B5 B6 B10 136.52(12) . . . . ?
C1 B5 B6 B11 99.45(12) . . . . ?
C1 B5 B9 B4 38.46(11) . . . . ?
C1 B5 B9 B8 2.01(17) . . . . ?
C1 B5 B9 B10 -99.03(13) . . . . ?
C1 B5 B9 B12 -62.25(17) . . . . ?
C1 B5 B10 B6 -37.41(11) . . . . ?
C1 B5 B10 B9 98.49(13) . . . . ?
C1 B5 B10 B11 -0.65(16) . . . . ?
C1 B5 B10 B12 62.50(15) . . . . ?
C1 B5 C14 C13 43.1(2) . . . . ?
C1 B5 C14 C15 -135.99(15) . . . . ?
C1 B6 B10 B5 37.38(11) . . . . ?
C1 B6 B10 B9 -1.83(15) . . . . ?
C1 B6 B10 B11 -101.53(13) . . . . ?
C1 B6 B10 B12 -64.24(15) . . . . ?
C1 B6 B11 C2 -37.71(11) . . . . ?
C1 B6 B11 B7 -3.52(16) . . . . ?
C1 B6 B11 B10 98.45(13) . . . . ?
C1 B6 B11 B12 60.35(16) . . . . ?
C1 C6 C7 C8 178.08(16) . . . . ?
C1 C6 C11 C10 -178.59(14) . . . . ?
C1 C6 C11 C12 4.0(2) . . . . ?
Si1 C2 B3 C1 114.02(11) . . . . ?
Si1 C2 B3 B4 149.73(11) . . . . ?
Si1 C2 B3 B7 -108.34(12) . . . . ?
Si1 C2 B3 B8 -147.07(11) . . . . ?
Si1 C2 B6 C1 -112.71(12) . . . . ?
Si1 C2 B6 B5 -148.37(10) . . . . ?
Si1 C2 B6 B10 148.49(11) . . . . ?
Si1 C2 B6 B11 109.55(13) . . . . ?
Si1 C2 B7 B3 108.66(12) . . . . ?
Si1 C2 B7 B8 147.12(12) . . . . ?
Si1 C2 B7 B11 -110.67(12) . . . . ?
Si1 C2 B7 B12 -149.73(11) . . . . ?
Si1 C2 B11 B6 -111.20(12) . . . . ?
Si1 C2 B11 B7 107.51(12) . . . . ?
Si1 C2 B11 B10 -149.93(11) . . . . ?
Si1 C2 B11 B12 146.68(11) . . . . ?
C2 C1 B3 B4 -138.74(13) . . . . ?
C2 C1 B3 B7 -36.88(11) . . . . ?
C2 C1 B3 B8 -99.85(13) . . . . ?
C2 C1 B4 B3 36.91(12) . . . . ?
C2 C1 B4 B5 -104.05(12) . . . . ?
C2 C1 B4 B8 -1.83(17) . . . . ?
C2 C1 B4 B9 -64.57(14) . . . . ?
C2 C1 B5 B4 101.46(12) . . . . ?
C2 C1 B5 B6 -37.17(11) . . . . ?
C2 C1 B5 B9 62.39(14) . . . . ?
C2 C1 B5 B10 0.39(15) . . . . ?
C2 C1 B5 C14 -152.53(13) . . . . ?
C2 C1 B6 B5 138.96(12) . . . . ?
C2 C1 B6 B10 100.65(12) . . . . ?
C2 C1 B6 B11 37.46(11) . . . . ?
C2 C1 C6 C7 -73.08(17) . . . . ?
C2 C1 C6 C11 108.56(16) . . . . ?
C2 B3 B4 C1 -36.28(11) . . . . ?
C2 B3 B4 B5 -1.63(17) . . . . ?
C2 B3 B4 B8 99.66(14) . . . . ?
C2 B3 B4 B9 61.94(15) . . . . ?
C2 B3 B7 B8 -136.23(13) . . . . ?
C2 B3 B7 B11 -35.13(12) . . . . ?
C2 B3 B7 B12 -98.69(14) . . . . ?
C2 B3 B8 B4 -99.90(13) . . . . ?
C2 B3 B8 B7 38.01(11) . . . . ?
C2 B3 B8 B9 -62.07(16) . . . . ?
C2 B3 B8 B12 0.71(16) . . . . ?
C2 B6 B10 B5 100.30(12) . . . . ?
C2 B6 B10 B9 61.09(15) . . . . ?
C2 B6 B10 B11 -38.61(12) . . . . ?
C2 B6 B10 B12 -1.32(17) . . . . ?
C2 B6 B11 B7 34.19(12) . . . . ?
C2 B6 B11 B10 136.16(13) . . . . ?
C2 B6 B11 B12 98.06(14) . . . . ?
C2 B7 B8 B3 -38.27(12) . . . . ?
C2 B7 B8 B4 -0.65(18) . . . . ?
C2 B7 B8 B9 62.66(16) . . . . ?
C2 B7 B8 B12 99.91(14) . . . . ?
C2 B7 B11 B6 -34.16(11) . . . . ?
C2 B7 B11 B10 -97.88(13) . . . . ?
C2 B7 B11 B12 -135.74(13) . . . . ?
C2 B7 B12 B8 -99.63(13) . . . . ?
C2 B7 B12 B9 -61.93(17) . . . . ?
C2 B7 B12 B10 1.65(17) . . . . ?
C2 B7 B12 B11 38.82(12) . . . . ?
C2 B11 B12 B7 -38.45(11) . . . . ?
C2 B11 B12 B8 -1.50(16) . . . . ?
C2 B11 B12 B9 62.04(16) . . . . ?
C2 B11 B12 B10 99.73(13) . . . . ?
B3 C1 C2 Si1 -106.39(13) . . . . ?
B3 C1 C2 B6 144.04(13) . . . . ?
B3 C1 C2 B7 39.29(12) . . . . ?
B3 C1 C2 B11 105.20(13) . . . . ?
B3 C1 B4 B5 -140.96(13) . . . . ?
B3 C1 B4 B8 -38.74(13) . . . . ?
B3 C1 B4 B9 -101.48(13) . . . . ?
B3 C1 B5 B4 36.96(12) . . . . ?
B3 C1 B5 B6 -101.67(13) . . . . ?
B3 C1 B5 B9 -2.10(16) . . . . ?
B3 C1 B5 B10 -64.10(15) . . . . ?
B3 C1 B5 C14 142.98(14) . . . . ?
B3 C1 B6 C2 -32.54(11) . . . . ?
B3 C1 B6 B5 106.42(13) . . . . ?
B3 C1 B6 B10 68.11(14) . . . . ?
B3 C1 B6 B11 4.92(16) . . . . ?
B3 C1 C6 C7 -3.8(2) . . . . ?
B3 C1 C6 C11 177.80(13) . . . . ?
B3 C2 B6 C1 33.76(12) . . . . ?
B3 C2 B6 B5 -1.91(16) . . . . ?
B3 C2 B6 B10 -65.05(15) . . . . ?
B3 C2 B6 B11 -103.98(14) . . . . ?
B3 C2 B7 B8 38.46(13) . . . . ?
B3 C2 B7 B11 140.67(13) . . . . ?
B3 C2 B7 B12 101.61(14) . . . . ?
B3 C2 B11 B6 104.15(13) . . . . ?
B3 C2 B11 B7 -37.13(12) . . . . ?
B3 C2 B11 B10 65.42(15) . . . . ?
B3 C2 B11 B12 2.03(16) . . . . ?
B3 B4 B5 C1 -35.30(12) . . . . ?
B3 B4 B5 B6 0.53(16) . . . . ?
B3 B4 B5 B9 99.72(14) . . . . ?
B3 B4 B5 B10 62.10(16) . . . . ?
B3 B4 B5 C14 -146.30(14) . . . . ?
B3 B4 B8 B7 -37.59(13) . . . . ?
B3 B4 B8 B9 -137.62(14) . . . . ?
B3 B4 B8 B12 -100.84(15) . . . . ?
B3 B4 B9 B5 -101.98(13) . . . . ?
B3 B4 B9 B8 37.50(12) . . . . ?
B3 B4 B9 B10 -63.86(16) . . . . ?
B3 B4 B9 B12 0.16(17) . . . . ?
B3 B7 B8 B4 37.62(13) . . . . ?
B3 B7 B8 B9 100.93(14) . . . . ?
B3 B7 B8 B12 138.19(13) . . . . ?
B3 B7 B11 C2 35.04(12) . . . . ?
B3 B7 B11 B6 0.88(18) . . . . ?
B3 B7 B11 B10 -62.84(17) . . . . ?
B3 B7 B11 B12 -100.70(14) . . . . ?
B3 B7 B12 B8 -37.26(12) . . . . ?
B3 B7 B12 B9 0.44(18) . . . . ?
B3 B7 B12 B10 64.02(17) . . . . ?
B3 B7 B12 B11 101.19(14) . . . . ?
B3 B8 B9 B4 -37.84(13) . . . . ?
B3 B8 B9 B5 -1.26(18) . . . . ?
B3 B8 B9 B10 62.77(17) . . . . ?
B3 B8 B9 B12 100.70(15) . . . . ?
B3 B8 B12 B7 37.36(12) . . . . ?
B3 B8 B12 B9 -100.48(14) . . . . ?
B3 B8 B12 B10 -62.70(16) . . . . ?
B3 B8 B12 B11 0.49(17) . . . . ?
B4 C1 C2 Si1 -144.20(11) . . . . ?
B4 C1 C2 B3 -37.81(13) . . . . ?
B4 C1 C2 B6 106.23(13) . . . . ?
B4 C1 C2 B7 1.48(16) . . . . ?
B4 C1 C2 B11 67.39(15) . . . . ?
B4 C1 B3 C2 138.74(13) . . . . ?
B4 C1 B3 B7 101.87(15) . . . . ?
B4 C1 B3 B8 38.90(12) . . . . ?
B4 C1 B5 B6 -138.63(12) . . . . ?
B4 C1 B5 B9 -39.07(12) . . . . ?
B4 C1 B5 B10 -101.07(13) . . . . ?
B4 C1 B5 C14 106.01(16) . . . . ?
B4 C1 B6 C2 -99.17(12) . . . . ?
B4 C1 B6 B5 39.79(12) . . . . ?
B4 C1 B6 B10 1.48(15) . . . . ?
B4 C1 B6 B11 -61.71(15) . . . . ?
B4 C1 C6 C7 68.66(19) . . . . ?
B4 C1 C6 C11 -109.70(17) . . . . ?
B4 B3 B7 C2 98.34(13) . . . . ?
B4 B3 B7 B8 -37.89(12) . . . . ?
B4 B3 B7 B11 63.21(16) . . . . ?
B4 B3 B7 B12 -0.35(17) . . . . ?
B4 B3 B8 B7 137.91(14) . . . . ?
B4 B3 B8 B9 37.82(13) . . . . ?
B4 B3 B8 B12 100.61(14) . . . . ?
B4 B5 B6 C1 -35.75(11) . . . . ?
B4 B5 B6 C2 0.79(15) . . . . ?
B4 B5 B6 B10 100.76(13) . . . . ?
B4 B5 B6 B11 63.70(15) . . . . ?
B4 B5 B9 B8 -36.45(13) . . . . ?
B4 B5 B9 B10 -137.49(13) . . . . ?
B4 B5 B9 B12 -100.71(15) . . . . ?
B4 B5 B10 B6 -98.33(13) . . . . ?
B4 B5 B10 B9 37.58(12) . . . . ?
B4 B5 B10 B11 -61.56(16) . . . . ?
B4 B5 B10 B12 1.59(16) . . . . ?
B4 B5 C14 C13 111.24(17) . . . . ?
B4 B5 C14 C15 -67.84(19) . . . . ?
B4 B8 B9 B5 36.59(13) . . . . ?
B4 B8 B9 B10 100.61(14) . . . . ?
B4 B8 B9 B12 138.55(14) . . . . ?
B4 B8 B12 B7 100.81(14) . . . . ?
B4 B8 B12 B9 -37.03(13) . . . . ?
B4 B8 B12 B10 0.75(18) . . . . ?
B4 B8 B12 B11 63.94(17) . . . . ?
B4 B9 B10 B5 -38.11(12) . . . . ?
B4 B9 B10 B6 1.59(17) . . . . ?
B4 B9 B10 B11 64.23(16) . . . . ?
B4 B9 B10 B12 101.37(15) . . . . ?
B4 B9 B12 B7 -0.37(18) . . . . ?
B4 B9 B12 B8 37.15(13) . . . . ?
B4 B9 B12 B10 -100.77(14) . . . . ?
B4 B9 B12 B11 -63.28(17) . . . . ?
B5 C1 C2 Si1 148.43(10) . . . . ?
B5 C1 C2 B3 -105.18(13) . . . . ?
B5 C1 C2 B6 38.85(11) . . . . ?
B5 C1 C2 B7 -65.90(15) . . . . ?
B5 C1 C2 B11 0.01(15) . . . . ?
B5 C1 B3 C2 101.21(13) . . . . ?
B5 C1 B3 B4 -37.53(13) . . . . ?
B5 C1 B3 B7 64.34(16) . . . . ?
B5 C1 B3 B8 1.37(17) . . . . ?
B5 C1 B4 B3 140.96(13) . . . . ?
B5 C1 B4 B8 102.22(15) . . . . ?
B5 C1 B4 B9 39.48(12) . . . . ?
B5 C1 B6 C2 -138.96(12) . . . . ?
B5 C1 B6 B10 -38.31(11) . . . . ?
B5 C1 B6 B11 -101.50(13) . . . . ?
B5 C1 C6 C7 143.57(14) . . . . ?
B5 C1 C6 C11 -34.8(2) . . . . ?
B5 B4 B8 B3 101.09(14) . . . . ?
B5 B4 B8 B7 63.49(17) . . . . ?
B5 B4 B8 B9 -36.53(13) . . . . ?
B5 B4 B8 B12 0.25(18) . . . . ?
B5 B4 B9 B8 139.48(14) . . . . ?
B5 B4 B9 B10 38.13(12) . . . . ?
B5 B4 B9 B12 102.14(14) . . . . ?
B5 B6 B10 B9 -39.21(12) . . . . ?
B5 B6 B10 B11 -138.91(13) . . . . ?
B5 B6 B10 B12 -101.62(14) . . . . ?
B5 B6 B11 C2 -99.17(13) . . . . ?
B5 B6 B11 B7 -64.98(15) . . . . ?
B5 B6 B11 B10 36.99(12) . . . . ?
B5 B6 B11 B12 -1.10(17) . . . . ?
B5 B9 B10 B6 39.70(11) . . . . ?
B5 B9 B10 B11 102.34(13) . . . . ?
B5 B9 B10 B12 139.49(14) . . . . ?
B5 B9 B12 B7 63.69(18) . . . . ?
B5 B9 B12 B8 101.21(15) . . . . ?
B5 B9 B12 B10 -36.71(13) . . . . ?
B5 B9 B12 B11 0.78(19) . . . . ?
B5 B10 B11 C2 0.66(17) . . . . ?
B5 B10 B11 B6 -37.42(12) . . . . ?
B5 B10 B11 B7 62.62(16) . . . . ?
B5 B10 B11 B12 100.38(15) . . . . ?
B5 B10 B12 B7 -64.58(16) . . . . ?
B5 B10 B12 B8 -1.46(17) . . . . ?
B5 B10 B12 B9 36.29(13) . . . . ?
B5 B10 B12 B11 -101.65(14) . . . . ?
B5 C14 C15 C16 -179.43(16) . . . . ?
B6 C1 C2 Si1 109.58(12) . . . . ?
B6 C1 C2 B3 -144.04(13) . . . . ?
B6 C1 C2 B7 -104.75(13) . . . . ?
B6 C1 C2 B11 -38.84(12) . . . . ?
B6 C1 B3 C2 32.55(11) . . . . ?
B6 C1 B3 B4 -106.19(13) . . . . ?
B6 C1 B3 B7 -4.33(16) . . . . ?
B6 C1 B3 B8 -67.30(15) . . . . ?
B6 C1 B4 B3 100.97(13) . . . . ?
B6 C1 B4 B5 -39.99(12) . . . . ?
B6 C1 B4 B8 62.23(16) . . . . ?
B6 C1 B4 B9 -0.51(16) . . . . ?
B6 C1 B5 B4 138.63(12) . . . . ?
B6 C1 B5 B9 99.56(13) . . . . ?
B6 C1 B5 B10 37.57(11) . . . . ?
B6 C1 B5 C14 -115.36(16) . . . . ?
B6 C1 C6 C7 -142.20(14) . . . . ?
B6 C1 C6 C11 39.44(19) . . . . ?
B6 C2 B3 C1 -33.48(11) . . . . ?
B6 C2 B3 B4 2.23(17) . . . . ?
B6 C2 B3 B7 104.15(13) . . . . ?
B6 C2 B3 B8 65.43(15) . . . . ?
B6 C2 B7 B3 -104.21(13) . . . . ?
B6 C2 B7 B8 -65.75(16) . . . . ?
B6 C2 B7 B11 36.46(12) . . . . ?
B6 C2 B7 B12 -2.60(17) . . . . ?
B6 C2 B11 B7 -141.28(13) . . . . ?
B6 C2 B11 B10 -38.73(12) . . . . ?
B6 C2 B11 B12 -102.11(13) . . . . ?
B6 B5 B9 B4 99.29(13) . . . . ?
B6 B5 B9 B8 62.84(16) . . . . ?
B6 B5 B9 B10 -38.20(12) . . . . ?
B6 B5 B9 B12 -1.42(18) . . . . ?
B6 B5 B10 B9 135.90(13) . . . . ?
B6 B5 B10 B11 36.77(12) . . . . ?
B6 B5 B10 B12 99.92(13) . . . . ?
B6 B5 C14 C13 -28.4(2) . . . . ?
B6 B5 C14 C15 152.56(15) . . . . ?
B6 B10 B11 C2 38.08(11) . . . . ?
B6 B10 B11 B7 100.04(14) . . . . ?
B6 B10 B11 B12 137.81(14) . . . . ?
B6 B10 B12 B7 -0.20(18) . . . . ?
B6 B10 B12 B8 62.92(16) . . . . ?
B6 B10 B12 B9 100.67(14) . . . . ?
B6 B10 B12 B11 -37.27(12) . . . . ?
B6 B11 B12 B7 -100.29(14) . . . . ?
B6 B11 B12 B8 -63.33(16) . . . . ?
B6 B11 B12 B9 0.21(18) . . . . ?
B6 B11 B12 B10 37.90(12) . . . . ?
C6 C1 C2 Si1 1.81(17) . . . . ?
C6 C1 C2 B3 108.20(15) . . . . ?
C6 C1 C2 B6 -107.76(14) . . . . ?
C6 C1 C2 B7 147.49(13) . . . . ?
C6 C1 C2 B11 -146.60(13) . . . . ?
C6 C1 B3 C2 -109.10(14) . . . . ?
C6 C1 B3 B4 112.16(15) . . . . ?
C6 C1 B3 B7 -145.98(13) . . . . ?
C6 C1 B3 B8 151.05(13) . . . . ?
C6 C1 B4 B3 -108.35(15) . . . . ?
C6 C1 B4 B5 110.70(15) . . . . ?
C6 C1 B4 B8 -147.08(14) . . . . ?
C6 C1 B4 B9 150.18(13) . . . . ?
C6 C1 B5 B4 -112.25(15) . . . . ?
C6 C1 B5 B6 109.12(14) . . . . ?
C6 C1 B5 B9 -151.32(13) . . . . ?
C6 C1 B5 B10 146.68(13) . . . . ?
C6 C1 B5 C14 -6.2(2) . . . . ?
C6 C1 B6 C2 109.26(14) . . . . ?
C6 C1 B6 B5 -111.78(14) . . . . ?
C6 C1 B6 B10 -150.09(12) . . . . ?
C6 C1 B6 B11 146.72(13) . . . . ?
C6 C7 C8 C9 1.3(3) . . . . ?
C6 C11 C12 C13 64.8(2) . . . . ?
B7 C2 B3 C1 -137.64(13) . . . . ?
B7 C2 B3 B4 -101.93(14) . . . . ?
B7 C2 B3 B8 -38.73(12) . . . . ?
B7 C2 B6 C1 101.28(13) . . . . ?
B7 C2 B6 B5 65.62(15) . . . . ?
B7 C2 B6 B10 2.48(16) . . . . ?
B7 C2 B6 B11 -36.45(13) . . . . ?
B7 C2 B11 B6 141.28(13) . . . . ?
B7 C2 B11 B10 102.56(14) . . . . ?
B7 C2 B11 B12 39.17(12) . . . . ?
B7 B3 B4 C1 -98.10(13) . . . . ?
B7 B3 B4 B5 -63.46(16) . . . . ?
B7 B3 B4 B8 37.84(13) . . . . ?
B7 B3 B4 B9 0.12(17) . . . . ?
B7 B3 B8 B4 -137.91(14) . . . . ?
B7 B3 B8 B9 -100.09(15) . . . . ?
B7 B3 B8 B12 -37.30(12) . . . . ?
B7 B8 B9 B4 -101.09(14) . . . . ?
B7 B8 B9 B5 -64.51(17) . . . . ?
B7 B8 B9 B10 -0.48(18) . . . . ?
B7 B8 B9 B12 37.45(12) . . . . ?
B7 B8 B12 B9 -137.84(13) . . . . ?
B7 B8 B12 B10 -100.06(14) . . . . ?
B7 B8 B12 B11 -36.86(12) . . . . ?
B7 B11 B12 B8 36.95(12) . . . . ?
B7 B11 B12 B9 100.49(16) . . . . ?
B7 B11 B12 B10 138.18(14) . . . . ?
C7 C6 C11 C10 3.0(2) . . . . ?
C7 C6 C11 C12 -174.33(14) . . . . ?
C7 C8 C9 C10 1.2(3) . . . . ?
B8 B3 B4 C1 -135.94(14) . . . . ?
B8 B3 B4 B5 -101.30(15) . . . . ?
B8 B3 B4 B9 -37.72(13) . . . . ?
B8 B3 B7 C2 136.23(13) . . . . ?
B8 B3 B7 B11 101.10(15) . . . . ?
B8 B3 B7 B12 37.54(13) . . . . ?
B8 B4 B5 C1 -98.54(13) . . . . ?
B8 B4 B5 B6 -62.71(15) . . . . ?
B8 B4 B5 B9 36.49(13) . . . . ?
B8 B4 B5 B10 -1.14(17) . . . . ?
B8 B4 B5 C14 150.46(14) . . . . ?
B8 B4 B9 B5 -139.48(14) . . . . ?
B8 B4 B9 B10 -101.35(14) . . . . ?
B8 B4 B9 B12 -37.34(13) . . . . ?
B8 B7 B11 C2 98.33(13) . . . . ?
B8 B7 B11 B6 64.17(16) . . . . ?
B8 B7 B11 B10 0.45(17) . . . . ?
B8 B7 B11 B12 -37.42(13) . . . . ?
B8 B7 B12 B9 37.71(13) . . . . ?
B8 B7 B12 B10 101.28(14) . . . . ?
B8 B7 B12 B11 138.46(13) . . . . ?
B8 B9 B10 B5 -101.59(14) . . . . ?
B8 B9 B10 B6 -61.89(16) . . . . ?
B8 B9 B10 B11 0.75(17) . . . . ?
B8 B9 B10 B12 37.90(13) . . . . ?
B8 B9 B12 B7 -37.52(13) . . . . ?
B8 B9 B12 B10 -137.92(14) . . . . ?
B8 B9 B12 B11 -100.43(15) . . . . ?
C8 C9 C10 C11 -1.6(3) . . . . ?
B9 B4 B5 C1 -135.03(13) . . . . ?
B9 B4 B5 B6 -99.20(13) . . . . ?
B9 B4 B5 B10 -37.62(12) . . . . ?
B9 B4 B5 C14 113.98(15) . . . . ?
B9 B4 B8 B3 137.62(14) . . . . ?
B9 B4 B8 B7 100.02(15) . . . . ?
B9 B4 B8 B12 36.77(13) . . . . ?
B9 B5 B6 C1 -97.91(13) . . . . ?
B9 B5 B6 C2 -61.36(15) . . . . ?
B9 B5 B6 B10 38.61(12) . . . . ?
B9 B5 B6 B11 1.54(16) . . . . ?
B9 B5 B10 B6 -135.90(13) . . . . ?
B9 B5 B10 B11 -99.14(15) . . . . ?
B9 B5 B10 B12 -35.99(13) . . . . ?
B9 B5 C14 C13 -178.35(15) . . . . ?
B9 B5 C14 C15 2.6(2) . . . . ?
B9 B8 B12 B7 137.84(13) . . . . ?
B9 B8 B12 B10 37.78(13) . . . . ?
B9 B8 B12 B11 100.97(14) . . . . ?
B9 B10 B11 C2 -62.70(15) . . . . ?
B9 B10 B11 B6 -100.78(14) . . . . ?
B9 B10 B11 B7 -0.74(17) . . . . ?
B9 B10 B11 B12 37.02(13) . . . . ?
B9 B10 B12 B7 -100.87(15) . . . . ?
B9 B10 B12 B8 -37.74(13) . . . . ?
B9 B10 B12 B11 -137.94(14) . . . . ?
C9 C10 C11 C6 -0.6(3) . . . . ?
C9 C10 C11 C12 177.05(16) . . . . ?
B10 B5 B6 C1 -136.52(12) . . . . ?
B10 B5 B6 C2 -99.97(13) . . . . ?
B10 B5 B6 B11 -37.06(12) . . . . ?
B10 B5 B9 B4 137.49(13) . . . . ?
B10 B5 B9 B8 101.04(15) . . . . ?
B10 B5 B9 B12 36.78(13) . . . . ?
B10 B5 C14 C13 -103.48(19) . . . . ?
B10 B5 C14 C15 77.4(2) . . . . ?
B10 B6 B11 C2 -136.16(13) . . . . ?
B10 B6 B11 B7 -101.97(15) . . . . ?
B10 B6 B11 B12 -38.09(13) . . . . ?
B10 B9 B12 B7 100.40(14) . . . . ?
B10 B9 B12 B8 137.92(14) . . . . ?
B10 B9 B12 B11 37.49(13) . . . . ?
B10 B11 B12 B7 -138.18(14) . . . . ?
B10 B11 B12 B8 -101.23(14) . . . . ?
B10 B11 B12 B9 -37.69(13) . . . . ?
C10 C11 C12 C13 -112.60(16) . . . . ?
B11 C2 B3 C1 -100.64(12) . . . . ?
B11 C2 B3 B4 -64.93(15) . . . . ?
B11 C2 B3 B7 37.00(12) . . . . ?
B11 C2 B3 B8 -1.73(16) . . . . ?
B11 C2 B6 C1 137.74(12) . . . . ?
B11 C2 B6 B5 102.08(13) . . . . ?
B11 C2 B6 B10 38.94(12) . . . . ?
B11 C2 B7 B3 -140.67(13) . . . . ?
B11 C2 B7 B8 -102.21(15) . . . . ?
B11 C2 B7 B12 -39.06(12) . . . . ?
B11 B6 B10 B5 138.91(13) . . . . ?
B11 B6 B10 B9 99.70(14) . . . . ?
B11 B6 B10 B12 37.28(13) . . . . ?
B11 B7 B8 B3 -100.91(14) . . . . ?
B11 B7 B8 B4 -63.28(17) . . . . ?
B11 B7 B8 B9 0.02(18) . . . . ?
B11 B7 B8 B12 37.28(12) . . . . ?
B11 B7 B12 B8 -138.46(13) . . . . ?
B11 B7 B12 B9 -100.75(14) . . . . ?
B11 B7 B12 B10 -37.18(13) . . . . ?
B11 B10 B12 B7 37.07(13) . . . . ?
B11 B10 B12 B8 100.19(15) . . . . ?
B11 B10 B12 B9 137.94(14) . . . . ?
C11 C6 C7 C8 -3.5(2) . . . . ?
C11 C12 C13 C14 -65.40(19) . . . . ?
C11 C12 C13 C18 113.53(16) . . . . ?
B12 B7 B8 B3 -138.19(13) . . . . ?
B12 B7 B8 B4 -100.56(15) . . . . ?
B12 B7 B8 B9 -37.26(12) . . . . ?
B12 B7 B11 C2 135.74(13) . . . . ?
B12 B7 B11 B6 101.58(14) . . . . ?
B12 B7 B11 B10 37.86(12) . . . . ?
B12 B8 B9 B4 -138.55(14) . . . . ?
B12 B8 B9 B5 -101.96(15) . . . . ?
B12 B8 B9 B10 -37.94(13) . . . . ?
B12 B9 B10 B5 -139.49(14) . . . . ?
B12 B9 B10 B6 -99.79(14) . . . . ?
B12 B9 B10 B11 -37.15(12) . . . . ?
B12 B10 B11 C2 -99.73(14) . . . . ?
B12 B10 B11 B6 -137.81(14) . . . . ?
B12 B10 B11 B7 -37.76(13) . . . . ?
C12 C13 C14 B5 -1.9(2) . . . . ?
C12 C13 C14 C15 177.16(14) . . . . ?
C12 C13 C18 C17 -178.26(15) . . . . ?
C13 C14 C15 C16 1.4(2) . . . . ?
C14 B5 B6 C1 107.84(16) . . . . ?
C14 B5 B6 C2 144.39(14) . . . . ?
C14 B5 B6 B10 -115.64(17) . . . . ?
C14 B5 B6 B11 -152.71(14) . . . . ?
C14 B5 B9 B4 -105.68(17) . . . . ?
C14 B5 B9 B8 -142.12(15) . . . . ?
C14 B5 B9 B10 116.84(17) . . . . ?
C14 B5 B9 B12 153.61(15) . . . . ?
C14 B5 B10 B6 113.36(17) . . . . ?
C14 B5 B10 B9 -110.74(17) . . . . ?
C14 B5 B10 B11 150.13(15) . . . . ?
C14 B5 B10 B12 -146.72(15) . . . . ?
C14 C13 C18 C17 0.7(2) . . . . ?
C14 C15 C16 C17 0.0(3) . . . . ?
C15 C16 C17 C18 -1.2(3) . . . . ?
C16 C17 C18 C13 0.8(3) . . . . ?
C18 C13 C14 B5 179.15(15) . . . . ?
C18 C13 C14 C15 -1.8(2) . . . . ?
