#------------------------------------------------------------------------------
#$Date: 2021-01-07 06:35:36 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260619 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/71/7127155.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_7127155
loop_
_publ_author_name
'Škoch, Karel'
'Daniliuc, Constantin G.'
'Kehr, Gerald'
'Erker, Gerhard'
_publ_section_title
;
 Using the FpXylBH₂•SMe₂ reagent for the
 regioselective synthesis of cyclic bis(alkenyl)boranes.
;
_journal_issue                   81
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12178
_journal_page_last               12181
_journal_paper_doi               10.1039/d0cc05230b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C25 H26 B F9 O Si2'
_chemical_formula_weight         580.45
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'APEX3 v2019.1-0'
_audit_update_record
;
2020-08-21 deposited with the CCDC.	2020-09-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9779(3)
_cell_length_b                   13.7265(3)
_cell_length_c                   18.8688(4)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      66.5973
_cell_measurement_theta_min      3.9825
_cell_volume                     2843.30(12)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'APEX3 v2019.1-0 '
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 958)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX II diffractometer'
_diffrn_measurement_method       'phi / omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36267
_diffrn_reflns_theta_full        66.69
_diffrn_reflns_theta_max         66.69
_diffrn_reflns_theta_min         3.98
_diffrn_source                   'Cu sealed tube'
_diffrn_source_type              'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.833
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 Bruker AXS area detector scaling and absorption correction.
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,

J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.175
_refine_ls_abs_structure_details
;

Flack x determined using 2007 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         5028
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0446P)²+0.3936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0750
_reflns_number_gt                4797
_reflns_number_total             5028
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc05230b2.cif
_cod_data_source_block           erk9800
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7127153--7127160.cif.
;
_cod_database_code               7127155
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.64462(17) 0.41344(13) 0.22678(10) 0.0291(4) Uani d . . . 1.0 . .
H H1 0.654989 0.388212 0.266886 0.044 Uiso calc U . R 1.0 . .
Si Si1 0.57231(7) 0.48605(5) 0.07654(4) 0.02552(16) Uani d . . . 1.0 . .
Si Si2 0.07203(6) 0.76398(5) 0.23303(4) 0.02656(16) Uani d . . . 1.0 . .
B B1 0.5739(2) 0.49320(19) 0.23310(15) 0.0229(5) Uani d . . . 1.0 . .
C C1 0.5501(2) 0.55279(17) 0.16350(13) 0.0219(5) Uani d . . . 1.0 . .
C C2 0.5202(2) 0.64740(18) 0.17090(14) 0.0234(5) Uani d . . . 1.0 . .
H H2 0.498504 0.668446 0.217174 0.028 Uiso calc U . R 1.0 . .
C C3 0.2145(3) 0.76368(19) 0.18059(14) 0.0279(5) Uani d . . . 1.0 . .
C C4 0.3065(2) 0.76819(18) 0.14484(13) 0.0234(5) Uani d . . . 1.0 . .
C C5 0.5176(2) 0.72193(17) 0.11415(13) 0.0227(5) Uani d . . . 1.0 . .
C C6 0.4133(2) 0.77919(17) 0.10202(13) 0.0223(5) Uani d . . . 1.0 . .
C C7 0.4138(3) 0.84841(18) 0.04752(13) 0.0271(5) Uani d . . . 1.0 . .
H H7 0.342875 0.886249 0.038873 0.032 Uiso calc U . R 1.0 . .
C C8 0.5160(3) 0.86228(19) 0.00624(14) 0.0311(6) Uani d . . . 1.0 . .
H H8 0.514775 0.908885 -0.030979 0.037 Uiso calc U . R 1.0 . .
C C9 0.6203(3) 0.8084(2) 0.01894(15) 0.0314(6) Uani d . . . 1.0 . .
H H9 0.691436 0.81909 -0.008648 0.038 Uiso calc U . R 1.0 . .
C C10 0.6203(2) 0.73827(19) 0.07258(14) 0.0277(5) Uani d . . . 1.0 . .
H H10 0.691795 0.700991 0.080842 0.033 Uiso calc U . R 1.0 . .
C C11 0.7387(3) 0.4658(2) 0.06214(16) 0.0379(7) Uani d . . . 1.0 . .
H H11A 0.769214 0.419034 0.097126 0.057 Uiso calc U . R 1.0 . .
H H11B 0.782264 0.527748 0.067443 0.057 Uiso calc U . R 1.0 . .
H H11C 0.752062 0.440141 0.014313 0.057 Uiso calc U . R 1.0 . .
C C12 0.5003(3) 0.5470(2) -0.00207(16) 0.0388(7) Uani d . . . 1.0 . .
H H12A 0.548467 0.604192 -0.015449 0.058 Uiso calc U . R 1.0 . .
H H12B 0.417326 0.567315 0.01009 0.058 Uiso calc U . R 1.0 . .
H H12C 0.497516 0.501185 -0.041895 0.058 Uiso calc U . R 1.0 . .
C C13 0.4953(3) 0.3651(2) 0.08475(17) 0.0406(7) Uani d . . . 1.0 . .
H H13A 0.494333 0.33279 0.038443 0.061 Uiso calc U . R 1.0 . .
H H13B 0.411548 0.374557 0.101295 0.061 Uiso calc U . R 1.0 . .
H H13C 0.539778 0.324599 0.11881 0.061 Uiso calc U . R 1.0 . .
C C21 -0.0494(3) 0.7143(2) 0.17481(15) 0.0366(6) Uani d . . . 1.0 . .
H H21A -0.049909 0.749962 0.129811 0.055 Uiso calc U . R 1.0 . .
H H21B -0.128604 0.721607 0.198161 0.055 Uiso calc U . R 1.0 . .
H H21C -0.033739 0.645135 0.165722 0.055 Uiso calc U . R 1.0 . .
C C22 0.0399(3) 0.8924(2) 0.25889(17) 0.0372(7) Uani d . . . 1.0 . .
H H22A 0.109579 0.918763 0.285056 0.056 Uiso calc U . R 1.0 . .
H H22B -0.032834 0.894454 0.28899 0.056 Uiso calc U . R 1.0 . .
H H22C 0.025938 0.93155 0.216217 0.056 Uiso calc U . R 1.0 . .
C C23 0.0949(3) 0.6872(3) 0.31300(17) 0.0436(7) Uani d . . . 1.0 . .
H H23A 0.110147 0.619741 0.298551 0.065 Uiso calc U . R 1.0 . .
H H23B 0.021828 0.689851 0.342729 0.065 Uiso calc U . R 1.0 . .
H H23C 0.164961 0.711614 0.339897 0.065 Uiso calc U . R 1.0 . .
C C31 0.5204(2) 0.52749(17) 0.30831(13) 0.0215(5) Uani d . . . 1.0 . .
C C32 0.5881(2) 0.58275(17) 0.35666(13) 0.0230(5) Uani d . . . 1.0 . .
C C33 0.5396(2) 0.61671(17) 0.42016(14) 0.0253(5) Uani d . . . 1.0 . .
H H33 0.588275 0.654381 0.451514 0.03 Uiso calc U . R 1.0 . .
C C34 0.4206(3) 0.59532(18) 0.43724(13) 0.0279(5) Uani d . . . 1.0 . .
C C35 0.3505(2) 0.53922(19) 0.39159(15) 0.0289(6) Uani d . . . 1.0 . .
H H35 0.268861 0.523314 0.403717 0.035 Uiso calc U . R 1.0 . .
C C36 0.3999(2) 0.50637(18) 0.32813(13) 0.0247(5) Uani d . . . 1.0 . .
C C37 0.7202(3) 0.6058(2) 0.34262(14) 0.0316(6) Uani d U . D 1.0 . .
F F1 0.7459(19) 0.6176(9) 0.2758(5) 0.043(3) Uani d U P D 0.536(4) A 1
F F2 0.7614(8) 0.6773(5) 0.3817(4) 0.0436(16) Uani d U P D 0.536(4) A 1
F F3 0.7863(7) 0.5238(5) 0.3644(4) 0.0322(15) Uani d U P D 0.536(4) A 1
F F1A 0.769(3) 0.571(2) 0.2830(10) 0.034(7) Uani d U P D 0.179(4) A 2
F F2A 0.725(2) 0.7088(10) 0.3255(11) 0.046(5) Uani d U P D 0.179(4) A 2
F F3A 0.7965(14) 0.6019(15) 0.3952(8) 0.045(4) Uani d U P D 0.179(4) A 2
F F1B 0.751(3) 0.5936(17) 0.2747(8) 0.019(4) Uani d U P D 0.285(4) A 3
F F2B 0.7471(18) 0.7017(11) 0.3548(9) 0.058(6) Uani d U P D 0.285(4) A 3
F F3B 0.8001(13) 0.5533(11) 0.3791(7) 0.040(4) Uani d U P D 0.285(4) A 3
C C38 0.3638(3) 0.6312(2) 0.50474(16) 0.0371(7) Uani d . . . 1.0 . .
C C39 0.3196(2) 0.4472(2) 0.27987(16) 0.0328(6) Uani d . . . 1.0 . .
F F4 0.27898(18) 0.69898(14) 0.49237(10) 0.0493(5) Uani d . . . 1.0 . .
F F5 0.4451(2) 0.67212(16) 0.54829(9) 0.0560(5) Uani d . . . 1.0 . .
F F6 0.3093(2) 0.55985(14) 0.54080(10) 0.0572(6) Uani d . . . 1.0 . .
F F7 0.22577(16) 0.40770(15) 0.31426(10) 0.0477(5) Uani d . . . 1.0 . .
F F8 0.38048(17) 0.37476(13) 0.24878(11) 0.0497(5) Uani d . . . 1.0 . .
F F9 0.27165(16) 0.50090(14) 0.22763(9) 0.0452(4) Uani d . . . 1.0 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
B1 O1 H1 . . 109.5 ?
C11 Si1 C13 . . 108.81(14) ?
C11 Si1 C12 . . 111.29(14) ?
C13 Si1 C12 . . 105.71(14) ?
C11 Si1 C1 . . 108.86(13) ?
C13 Si1 C1 . . 107.43(13) ?
C12 Si1 C1 . . 114.50(12) ?
C3 Si2 C21 . . 106.82(13) ?
C3 Si2 C23 . . 108.58(14) ?
C21 Si2 C23 . . 111.69(15) ?
C3 Si2 C22 . . 107.59(13) ?
C21 Si2 C22 . . 111.49(14) ?
C23 Si2 C22 . . 110.47(15) ?
O1 B1 C1 . . 116.4(2) ?
O1 B1 C31 . . 121.8(2) ?
C1 B1 C31 . . 121.7(2) ?
C2 C1 B1 . . 117.2(2) ?
C2 C1 Si1 . . 125.96(19) ?
B1 C1 Si1 . . 116.83(16) ?
C1 C2 C5 . . 126.6(2) ?
C1 C2 H2 . . 116.7 ?
C5 C2 H2 . . 116.7 ?
C4 C3 Si2 . . 176.6(2) ?
C3 C4 C6 . . 176.8(3) ?
C10 C5 C6 . . 118.5(2) ?
C10 C5 C2 . . 120.2(2) ?
C6 C5 C2 . . 121.3(2) ?
C7 C6 C5 . . 119.7(2) ?
C7 C6 C4 . . 119.3(2) ?
C5 C6 C4 . . 121.0(2) ?
C8 C7 C6 . . 120.8(2) ?
C8 C7 H7 . . 119.6 ?
C6 C7 H7 . . 119.6 ?
C7 C8 C9 . . 120.1(2) ?
C7 C8 H8 . . 119.9 ?
C9 C8 H8 . . 119.9 ?
C8 C9 C10 . . 119.6(2) ?
C8 C9 H9 . . 120.2 ?
C10 C9 H9 . . 120.2 ?
C5 C10 C9 . . 121.3(2) ?
C5 C10 H10 . . 119.4 ?
C9 C10 H10 . . 119.4 ?
Si1 C11 H11A . . 109.5 ?
Si1 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
Si1 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
Si1 C12 H12A . . 109.5 ?
Si1 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
Si1 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
Si1 C13 H13A . . 109.5 ?
Si1 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
Si1 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
Si2 C21 H21A . . 109.5 ?
Si2 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
Si2 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
Si2 C22 H22A . . 109.5 ?
Si2 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
Si2 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
Si2 C23 H23A . . 109.5 ?
Si2 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
Si2 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C32 C31 C36 . . 116.0(2) ?
C32 C31 B1 . . 122.8(2) ?
C36 C31 B1 . . 121.2(2) ?
C33 C32 C31 . . 122.7(2) ?
C33 C32 C37 . . 116.7(2) ?
C31 C32 C37 . . 120.6(2) ?
C34 C33 C32 . . 119.5(2) ?
C34 C33 H33 . . 120.2 ?
C32 C33 H33 . . 120.2 ?
C33 C34 C35 . . 119.9(2) ?
C33 C34 C38 . . 121.5(3) ?
C35 C34 C38 . . 118.6(3) ?
C34 C35 C36 . . 119.9(2) ?
C34 C35 H35 . . 120.1 ?
C36 C35 H35 . . 120.1 ?
C35 C36 C31 . . 122.0(2) ?
C35 C36 C39 . . 117.9(2) ?
C31 C36 C39 . . 120.1(2) ?
F1 C37 F2 . . 112.2(8) ?
F3A C37 F1A . . 111.8(16) ?
F3B C37 F1B . . 105.3(13) ?
F3B C37 F2B . . 107.0(9) ?
F1B C37 F2B . . 103.2(12) ?
F1 C37 F3 . . 105.8(8) ?
F2 C37 F3 . . 105.0(5) ?
F3A C37 F2A . . 100.8(11) ?
F1A C37 F2A . . 98.5(14) ?
F3A C37 C32 . . 118.5(8) ?
F1 C37 C32 . . 113.9(10) ?
F2 C37 C32 . . 113.0(5) ?
F3B C37 C32 . . 115.5(7) ?
F1A C37 C32 . . 117.3(16) ?
F1B C37 C32 . . 112.5(12) ?
F2B C37 C32 . . 112.3(8) ?
F3 C37 C32 . . 106.2(4) ?
F2A C37 C32 . . 106.1(9) ?
F6 C38 F5 . . 107.1(3) ?
F6 C38 F4 . . 106.7(3) ?
F5 C38 F4 . . 106.2(2) ?
F6 C38 C34 . . 112.2(2) ?
F5 C38 C34 . . 112.5(3) ?
F4 C38 C34 . . 111.7(2) ?
F7 C39 F8 . . 107.3(2) ?
F7 C39 F9 . . 106.2(2) ?
F8 C39 F9 . . 106.5(2) ?
F7 C39 C36 . . 112.2(2) ?
F8 C39 C36 . . 112.0(2) ?
F9 C39 C36 . . 112.3(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 B1 . 1.348(3) ?
O1 H1 . 0.84 ?
Si1 C11 . 1.868(3) ?
Si1 C13 . 1.869(3) ?
Si1 C12 . 1.877(3) ?
Si1 C1 . 1.895(3) ?
Si2 C3 . 1.851(3) ?
Si2 C21 . 1.857(3) ?
Si2 C23 . 1.857(3) ?
Si2 C22 . 1.863(3) ?
B1 C1 . 1.569(3) ?
B1 C31 . 1.606(4) ?
C1 C2 . 1.347(4) ?
C2 C5 . 1.481(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.216(4) ?
C4 C6 . 1.432(4) ?
C5 C10 . 1.392(4) ?
C5 C6 . 1.407(3) ?
C6 C7 . 1.400(3) ?
C7 C8 . 1.379(4) ?
C7 H7 . 0.95 ?
C8 C9 . 1.384(4) ?
C8 H8 . 0.95 ?
C9 C10 . 1.397(4) ?
C9 H9 . 0.95 ?
C10 H10 . 0.95 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C31 C32 . 1.400(4) ?
C31 C36 . 1.406(4) ?
C32 C33 . 1.391(4) ?
C32 C37 . 1.507(4) ?
C33 C34 . 1.378(4) ?
C33 H33 . 0.95 ?
C34 C35 . 1.388(4) ?
C34 C38 . 1.501(4) ?
C35 C36 . 1.390(4) ?
C35 H35 . 0.95 ?
C36 C39 . 1.505(4) ?
C37 F3A . 1.300(13) ?
C37 F1 . 1.303(11) ?
C37 F2 . 1.309(8) ?
C37 F3B . 1.328(12) ?
C37 F1A . 1.333(17) ?
C37 F1B . 1.335(15) ?
C37 F2B . 1.369(13) ?
C37 F3 . 1.401(7) ?
C37 F2A . 1.451(14) ?
C38 F6 . 1.334(4) ?
C38 F5 . 1.337(4) ?
C38 F4 . 1.338(4) ?
C39 F7 . 1.333(3) ?
C39 F8 . 1.334(4) ?
C39 F9 . 1.338(3) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 B1 C1 C2 . . . . -156.4(2) ?
C31 B1 C1 C2 . . . . 21.6(3) ?
O1 B1 C1 Si1 . . . . 21.3(3) ?
C31 B1 C1 Si1 . . . . -160.70(18) ?
C11 Si1 C1 C2 . . . . 105.7(2) ?
C13 Si1 C1 C2 . . . . -136.6(2) ?
C12 Si1 C1 C2 . . . . -19.6(3) ?
C11 Si1 C1 B1 . . . . -71.8(2) ?
C13 Si1 C1 B1 . . . . 45.9(2) ?
C12 Si1 C1 B1 . . . . 162.95(19) ?
B1 C1 C2 C5 . . . . 167.0(2) ?
Si1 C1 C2 C5 . . . . -10.4(4) ?
C1 C2 C5 C10 . . . . -54.7(4) ?
C1 C2 C5 C6 . . . . 126.8(3) ?
C10 C5 C6 C7 . . . . 2.0(3) ?
C2 C5 C6 C7 . . . . -179.5(2) ?
C10 C5 C6 C4 . . . . -177.7(2) ?
C2 C5 C6 C4 . . . . 0.8(4) ?
C5 C6 C7 C8 . . . . -1.0(4) ?
C4 C6 C7 C8 . . . . 178.7(2) ?
C6 C7 C8 C9 . . . . -0.8(4) ?
C7 C8 C9 C10 . . . . 1.6(4) ?
C6 C5 C10 C9 . . . . -1.2(4) ?
C2 C5 C10 C9 . . . . -179.7(2) ?
C8 C9 C10 C5 . . . . -0.6(4) ?
O1 B1 C31 C32 . . . . 82.5(3) ?
C1 B1 C31 C32 . . . . -95.3(3) ?
O1 B1 C31 C36 . . . . -99.9(3) ?
C1 B1 C31 C36 . . . . 82.2(3) ?
C36 C31 C32 C33 . . . . -1.1(3) ?
B1 C31 C32 C33 . . . . 176.6(2) ?
C36 C31 C32 C37 . . . . 177.1(2) ?
B1 C31 C32 C37 . . . . -5.3(3) ?
C31 C32 C33 C34 . . . . 0.4(3) ?
C37 C32 C33 C34 . . . . -177.9(2) ?
C32 C33 C34 C35 . . . . 0.8(4) ?
C32 C33 C34 C38 . . . . -179.4(2) ?
C33 C34 C35 C36 . . . . -1.2(4) ?
C38 C34 C35 C36 . . . . 178.9(2) ?
C34 C35 C36 C31 . . . . 0.5(4) ?
C34 C35 C36 C39 . . . . -179.0(2) ?
C32 C31 C36 C35 . . . . 0.6(3) ?
B1 C31 C36 C35 . . . . -177.1(2) ?
C32 C31 C36 C39 . . . . -179.9(2) ?
B1 C31 C36 C39 . . . . 2.4(3) ?
C33 C32 C37 F3A . . . . 38.9(11) ?
C31 C32 C37 F3A . . . . -139.4(11) ?
C33 C32 C37 F1 . . . . -148.0(6) ?
C31 C32 C37 F1 . . . . 33.7(7) ?
C33 C32 C37 F2 . . . . -18.5(5) ?
C31 C32 C37 F2 . . . . 163.2(4) ?
C33 C32 C37 F3B . . . . 75.3(8) ?
C31 C32 C37 F3B . . . . -103.0(8) ?
C33 C32 C37 F1A . . . . 177.9(13) ?
C31 C32 C37 F1A . . . . -0.4(13) ?
C33 C32 C37 F1B . . . . -163.8(11) ?
C31 C32 C37 F1B . . . . 18.0(12) ?
C33 C32 C37 F2B . . . . -47.8(9) ?
C31 C32 C37 F2B . . . . 133.9(9) ?
C33 C32 C37 F3 . . . . 96.0(4) ?
C31 C32 C37 F3 . . . . -82.3(4) ?
C33 C32 C37 F2A . . . . -73.4(9) ?
C31 C32 C37 F2A . . . . 108.4(9) ?
C33 C34 C38 F6 . . . . -129.6(3) ?
C35 C34 C38 F6 . . . . 50.2(4) ?
C33 C34 C38 F5 . . . . -8.8(4) ?
C35 C34 C38 F5 . . . . 171.1(2) ?
C33 C34 C38 F4 . . . . 110.6(3) ?
C35 C34 C38 F4 . . . . -69.6(3) ?
C35 C36 C39 F7 . . . . -20.7(3) ?
C31 C36 C39 F7 . . . . 159.8(2) ?
C35 C36 C39 F8 . . . . -141.4(2) ?
C31 C36 C39 F8 . . . . 39.0(3) ?
C35 C36 C39 F9 . . . . 98.8(3) ?
C31 C36 C39 F9 . . . . -80.7(3) ?
