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#$Date: 2024-01-06 10:04:15 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288806 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/75/7247554.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_7247554
loop_
_publ_author_name
'Durka, Krzysztof'
'Zuba, Adam'
'Marek-Urban, Paulina H.'
'Nowicki, Krzysztof'
'Drapała, Jakub'
'Woźniak, Krzysztof'
'Luliński, Sergiusz'
_publ_section_title
;
 Exploring the effect of substitution patterns on the symmetry of
 hydrogen-bonded supramolecular motifs in functionalized
 benzosiloxaboroles
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              6329
_journal_page_last               6342
_journal_paper_doi               10.1039/D3CE00880K
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C8 H9 B F2 O2 Si'
_chemical_formula_sum            'C8 H9 B F2 O2 Si'
_chemical_formula_weight         214.05
_chemical_name_systematic
;
1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2023-10-01 deposited with the CCDC.	2023-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                93.405(4)
_cell_angle_beta                 93.926(4)
_cell_angle_gamma                105.818(4)
_cell_formula_units_Z            6
_cell_length_a                   7.0164(3)
_cell_length_b                   12.3417(6)
_cell_length_c                   18.5513(10)
_cell_measurement_reflns_used    2842
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      54.5920
_cell_measurement_theta_min      4.2620
_cell_volume                     1536.87(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4391
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.571
_diffrn_measured_fraction_theta_max 0.831
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.571
_diffrn_reflns_Laue_measured_fraction_max 0.831
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6027
_diffrn_reflns_point_group_measured_fraction_full 0.571
_diffrn_reflns_point_group_measured_fraction_max 0.831
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         54.650
_diffrn_reflns_theta_min         2.395
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.085
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         3176
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0914P)²+0.5237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1298
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2806
_reflns_number_total             3176
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00880k2.cif
_cod_data_source_block           56-dF-I
_cod_depositor_comments
'Adding full bibliography for 7247541--7247563.cif.'
_cod_database_code               7247554
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 -0.0010(4) 0.1743(2) 0.63109(15) 0.0184(6) Uani 1 1 d . . . . .
C2 C 0.0256(4) 0.1834(2) 0.70729(15) 0.0191(7) Uani 1 1 d . . . . .
C3 C -0.0122(4) 0.0850(2) 0.74458(16) 0.0203(7) Uani 1 1 d . . . . .
H3 H 0.0047 0.0896 0.7960 0.024 Uiso 1 1 calc R U . . .
C4 C -0.0740(4) -0.0181(2) 0.70515(16) 0.0209(7) Uani 1 1 d . . . . .
C5 C -0.0989(4) -0.0264(2) 0.63022(17) 0.0230(7) Uani 1 1 d . . . . .
C6 C -0.0629(4) 0.0693(3) 0.59251(16) 0.0218(7) Uani 1 1 d . . . . .
H6 H -0.0803 0.0633 0.5411 0.026 Uiso 1 1 calc R U . . .
C7 C -0.1533(4) 0.3584(3) 0.55756(17) 0.0254(7) Uani 1 1 d . . . . .
H7A H -0.2577 0.3500 0.5910 0.038 Uiso 1 1 calc R U . . .
H7B H -0.2044 0.3077 0.5136 0.038 Uiso 1 1 calc R U . . .
H7C H -0.1123 0.4367 0.5446 0.038 Uiso 1 1 calc R U . . .
C8 C 0.2787(4) 0.3559(3) 0.54670(16) 0.0249(7) Uani 1 1 d . . . . .
H8A H 0.3107 0.4358 0.5371 0.037 Uiso 1 1 calc R U . . .
H8B H 0.2455 0.3088 0.5007 0.037 Uiso 1 1 calc R U . . .
H8C H 0.3936 0.3411 0.5731 0.037 Uiso 1 1 calc R U . . .
B1 B 0.0988(5) 0.3103(3) 0.73931(18) 0.0197(7) Uani 1 1 d . . . . .
O1 O 0.1224(3) 0.38573(16) 0.68604(10) 0.0217(5) Uani 1 1 d . . . . .
O2 O 0.1359(3) 0.34238(17) 0.81093(11) 0.0258(5) Uani 1 1 d D . . . .
F1 F -0.1576(3) -0.12996(14) 0.59437(9) 0.0309(5) Uani 1 1 d . . . . .
F2 F -0.1124(3) -0.11461(14) 0.73933(9) 0.0296(5) Uani 1 1 d . . . . .
Si1 Si 0.06369(10) 0.32182(6) 0.60199(4) 0.0189(3) Uani 1 1 d . . . . .
H2A H 0.174(5) 0.4124(10) 0.8224(18) 0.028 Uiso 1 1 d D U . . .
C9 C 0.2709(4) 0.5390(3) 1.00391(16) 0.0198(7) Uani 1 1 d . . . . .
C10 C 0.3202(4) 0.6077(3) 1.06952(15) 0.0209(7) Uani 1 1 d . . . . .
C11 C 0.3097(5) 0.5586(3) 1.13561(17) 0.0263(7) Uani 1 1 d . . . . .
H11 H 0.3431 0.6042 1.1802 0.032 Uiso 1 1 calc R U . . .
C12 C 0.2497(5) 0.4424(3) 1.13448(16) 0.0269(7) Uani 1 1 d . . . . .
C13 C 0.2003(4) 0.3750(3) 1.07008(17) 0.0241(7) Uani 1 1 d . . . . .
C14 C 0.2099(4) 0.4211(2) 1.00415(16) 0.0201(7) Uani 1 1 d . . . . .
H14 H 0.1762 0.3742 0.9601 0.024 Uiso 1 1 calc R U . . .
C15 C 0.2174(4) 0.8386(3) 1.07505(17) 0.0278(7) Uani 1 1 d . . . . .
H15A H 0.2839 0.9198 1.0774 0.042 Uiso 1 1 calc R U . . .
H15B H 0.1741 0.8182 1.1228 0.042 Uiso 1 1 calc R U . . .
H15C H 0.1014 0.8203 1.0393 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6541(4) 0.8375(3) 1.07484(16) 0.0252(7) Uani 1 1 d . . . . .
H16A H 0.7375 0.8233 1.0371 0.038 Uiso 1 1 calc R U . . .
H16B H 0.6981 0.8126 1.1207 0.038 Uiso 1 1 calc R U . . .
H16C H 0.6656 0.9185 1.0809 0.038 Uiso 1 1 calc R U . . .
B2 B 0.2959(5) 0.6123(3) 0.93686(17) 0.0185(7) Uani 1 1 d . . . . .
O3 O 0.3592(3) 0.72713(16) 0.95718(10) 0.0213(5) Uani 1 1 d . . . . .
O4 O 0.2617(3) 0.57260(16) 0.86634(11) 0.0218(5) Uani 1 1 d D . . . .
F3 F 0.1415(3) 0.26159(15) 1.07311(10) 0.0335(5) Uani 1 1 d . . . . .
F4 F 0.2377(3) 0.39108(17) 1.19715(10) 0.0414(5) Uani 1 1 d . . . . .
Si2 Si 0.39214(11) 0.75850(6) 1.04808(4) 0.0200(3) Uani 1 1 d . . . . .
H4A H 0.283(5) 0.6293(19) 0.8430(17) 0.030 Uiso 1 1 d D U . . .
C17 C 0.3669(4) 0.8779(2) 0.66616(15) 0.0200(7) Uani 1 1 d . . . . .
C18 C 0.3750(4) 0.9348(3) 0.60341(16) 0.0218(7) Uani 1 1 d . . . . .
H18 H 0.3440 0.8943 0.5570 0.026 Uiso 1 1 calc R U . . .
C19 C 0.4289(4) 1.0512(3) 0.61005(16) 0.0221(7) Uani 1 1 d . . . . .
C20 C 0.4751(4) 1.1118(2) 0.67685(16) 0.0222(7) Uani 1 1 d . . . . .
C21 C 0.4697(4) 1.0571(3) 0.73947(16) 0.0231(7) Uani 1 1 d . . . . .
H21 H 0.5029 1.0989 0.7854 0.028 Uiso 1 1 calc R U . . .
C22 C 0.4145(4) 0.9394(3) 0.73427(16) 0.0213(7) Uani 1 1 d . . . . .
C23 C 0.0336(4) 0.6499(2) 0.65681(16) 0.0246(7) Uani 1 1 d . . . . .
H23A H 0.0029 0.5740 0.6740 0.037 Uiso 1 1 calc R U . . .
H23B H 0.0077 0.6441 0.6039 0.037 Uiso 1 1 calc R U . . .
H23C H -0.0502 0.6922 0.6789 0.037 Uiso 1 1 calc R U . . .
C24 C 0.4701(4) 0.6470(3) 0.64896(17) 0.0265(7) Uani 1 1 d . . . . .
H24A H 0.6065 0.6869 0.6681 0.040 Uiso 1 1 calc R U . . .
H24B H 0.4608 0.6427 0.5959 0.040 Uiso 1 1 calc R U . . .
H24C H 0.4345 0.5704 0.6651 0.040 Uiso 1 1 calc R U . . .
B3 B 0.3946(5) 0.8597(3) 0.79808(19) 0.0222(8) Uani 1 1 d . . . . .
O5 O 0.3339(3) 0.74588(17) 0.77392(10) 0.0217(5) Uani 1 1 d . . . . .
O6 O 0.4301(4) 0.89707(18) 0.86811(11) 0.0335(6) Uani 1 1 d D . . . .
F5 F 0.4368(3) 1.10945(15) 0.54981(9) 0.0320(5) Uani 1 1 d . . . . .
F6 F 0.5276(3) 1.22593(14) 0.68016(9) 0.0298(5) Uani 1 1 d . . . . .
Si3 Si 0.29758(10) 0.72410(6) 0.68247(4) 0.0181(3) Uani 1 1 d . . . . .
H6A H 0.409(5) 0.843(2) 0.8950(16) 0.027 Uiso 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
O O 0.0492 0.0322 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 120.6(3) . . ?
C6 C1 Si1 132.4(2) . . ?
C2 C1 Si1 106.9(2) . . ?
C3 C2 C1 119.6(3) . . ?
C3 C2 B1 128.6(3) . . ?
C1 C2 B1 111.8(2) . . ?
C4 C3 C2 118.7(3) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
F2 C4 C3 120.2(3) . . ?
F2 C4 C5 118.3(3) . . ?
C3 C4 C5 121.4(3) . . ?
F1 C5 C6 120.4(3) . . ?
F1 C5 C4 118.8(3) . . ?
C6 C5 C4 120.8(3) . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 B1 O1 123.5(3) . . ?
O2 B1 C2 123.8(3) . . ?
O1 B1 C2 112.7(3) . . ?
B1 O1 Si1 113.02(18) . . ?
B1 O2 H2A 116(2) . . ?
O1 Si1 C8 111.58(12) . . ?
O1 Si1 C7 110.64(12) . . ?
C8 Si1 C7 111.29(14) . . ?
O1 Si1 C1 95.52(11) . . ?
C8 Si1 C1 114.10(13) . . ?
C7 Si1 C1 112.78(13) . . ?
C14 C9 C10 120.5(3) . . ?
C14 C9 B2 128.3(3) . . ?
C10 C9 B2 111.2(3) . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 Si2 131.5(2) . . ?
C9 C10 Si2 108.4(2) . . ?
C12 C11 C10 118.3(3) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
F4 C12 C11 120.5(3) . . ?
F4 C12 C13 118.0(3) . . ?
C11 C12 C13 121.5(3) . . ?
F3 C13 C14 120.3(3) . . ?
F3 C13 C12 118.3(3) . . ?
C14 C13 C12 121.4(3) . . ?
C13 C14 C9 118.2(3) . . ?
C13 C14 H14 120.9 . . ?
C9 C14 H14 120.9 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O4 B2 O3 121.4(3) . . ?
O4 B2 C9 126.2(3) . . ?
O3 B2 C9 112.4(2) . . ?
B2 O3 Si2 113.71(18) . . ?
B2 O4 H4A 106(3) . . ?
O3 Si2 C16 109.70(12) . . ?
O3 Si2 C15 109.27(12) . . ?
C16 Si2 C15 112.19(14) . . ?
O3 Si2 C10 94.23(12) . . ?
C16 Si2 C10 115.40(13) . . ?
C15 Si2 C10 114.42(14) . . ?
C18 C17 C22 119.8(3) . . ?
C18 C17 Si3 132.9(2) . . ?
C22 C17 Si3 107.3(2) . . ?
C19 C18 C17 118.6(3) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
F5 C19 C18 120.1(3) . . ?
F5 C19 C20 118.2(3) . . ?
C18 C19 C20 121.7(3) . . ?
F6 C20 C21 120.2(3) . . ?
F6 C20 C19 119.2(2) . . ?
C21 C20 C19 120.6(3) . . ?
C20 C21 C22 118.8(3) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
C21 C22 C17 120.5(3) . . ?
C21 C22 B3 127.6(3) . . ?
C17 C22 B3 112.0(3) . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O6 B3 O5 123.4(3) . . ?
O6 B3 C22 123.8(3) . . ?
O5 B3 C22 112.8(3) . . ?
B3 O5 Si3 112.82(18) . . ?
B3 O6 H6A 111(2) . . ?
O5 Si3 C23 108.75(12) . . ?
O5 Si3 C24 109.58(12) . . ?
C23 Si3 C24 113.39(14) . . ?
O5 Si3 C17 95.14(11) . . ?
C23 Si3 C17 113.88(13) . . ?
C24 Si3 C17 114.39(13) . . ?
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 C6 1.386(5) . ?
C1 C2 1.407(4) . ?
C1 Si1 1.874(3) . ?
C2 C3 1.405(4) . ?
C2 B1 1.574(5) . ?
C3 C4 1.374(5) . ?
C3 H3 0.9500 . ?
C4 F2 1.353(3) . ?
C4 C5 1.383(5) . ?
C5 F1 1.349(4) . ?
C5 C6 1.382(4) . ?
C6 H6 0.9500 . ?
C7 Si1 1.857(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si1 1.850(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
B1 O2 1.350(4) . ?
B1 O1 1.385(4) . ?
O1 Si1 1.677(2) . ?
O2 H2A 0.841(11) . ?
C9 C14 1.401(5) . ?
C9 C10 1.407(5) . ?
C9 B2 1.572(5) . ?
C10 C11 1.397(4) . ?
C10 Si2 1.866(3) . ?
C11 C12 1.378(5) . ?
C11 H11 0.9500 . ?
C12 F4 1.354(4) . ?
C12 C13 1.381(5) . ?
C13 F3 1.353(4) . ?
C13 C14 1.377(4) . ?
C14 H14 0.9500 . ?
C15 Si2 1.849(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si2 1.848(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
B2 O4 1.351(4) . ?
B2 O3 1.386(4) . ?
O3 Si2 1.693(2) . ?
O4 H4A 0.829(10) . ?
C17 C18 1.392(4) . ?
C17 C22 1.405(4) . ?
C17 Si3 1.875(3) . ?
C18 C19 1.377(5) . ?
C18 H18 0.9500 . ?
C19 F5 1.361(3) . ?
C19 C20 1.379(5) . ?
C20 F6 1.352(4) . ?
C20 C21 1.375(4) . ?
C21 C22 1.394(5) . ?
C21 H21 0.9500 . ?
C22 B3 1.573(5) . ?
C23 Si3 1.844(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 Si3 1.849(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
B3 O6 1.336(4) . ?
B3 O5 1.389(4) . ?
O5 Si3 1.693(2) . ?
O6 H6A 0.846(10) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C18 H18 F5 0.95 2.60 3.293(3) 130.5 2_676
O2 H2A O4 0.841(11) 2.008(12) 2.841(3) 171(3) .
O6 H6A O3 0.846(10) 1.863(11) 2.708(3) 178(3) .
O4 H4A O5 0.829(10) 1.960(12) 2.781(3) 170(4) .
C18 H18 F5 0.95 2.60 3.293(3) 130.5 2_676
O2 H2A O4 0.841(11) 2.008(12) 2.841(3) 171(3) .
O6 H6A O3 0.846(10) 1.863(11) 2.708(3) 178(3) .
O4 H4A O5 0.829(10) 1.960(12) 2.781(3) 170(4) .
