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#$Date: 2023-05-05 05:16:15 +0300 (Fri, 05 May 2023) $
#$Revision: 283298 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/21/7712120.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_7712120
loop_
_publ_author_name
'Alharbi, Mashael M.'
'van Ingen, Yara'
'Roldan, Alberto'
'Kaehler, Tanja'
'Melen, Rebecca L.'
_publ_section_title
;
 Synthesis and lewis acidity of fluorinated triaryl borates.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1820
_journal_page_last               1825
_journal_paper_doi               10.1039/d2dt04095f
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C18 H6 B F9 O3'
_chemical_formula_sum            'C18 H6 B F9 O3'
_chemical_formula_weight         452.04
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-09-21 deposited with the CCDC.	2023-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                69.358(6)
_cell_angle_beta                 69.479(6)
_cell_angle_gamma                72.094(7)
_cell_formula_units_Z            4
_cell_length_a                   11.3358(9)
_cell_length_b                   13.4129(11)
_cell_length_c                   13.6547(8)
_cell_measurement_reflns_used    4736
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      72.1830
_cell_measurement_theta_min      4.1920
_cell_volume                     1779.1(2)
_computing_cell_refinement       'CrysAlisPro 1.171.42.54a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.54a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.54a (Rigaku OD, 2022)'
_computing_molecular_graphics    'ORTEP, shelxl, Mercury, CorelDRaw'
_computing_publication_material  publCIF
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      200.00(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'w/ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            13090
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.850
_diffrn_reflns_theta_min         3.594
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.587
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.189
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.54a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.781
_exptl_crystal_size_mid          0.607
_exptl_crystal_size_min          0.127
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         6900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0762
_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)+(0.1556P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2203
_refine_ls_wR_factor_ref         0.2634
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4534
_reflns_number_total             6900
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt04095f2.cif
_cod_data_source_block           RM2242_a
_cod_depositor_comments
'Adding full bibliography for 7712118--7712120.cif.'
_cod_original_cell_volume        1779.1(3)
_cod_database_code               7712120
_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.
;
_publcif_funding_html
;
;
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
O1 O 0.7111(3) 0.6231(2) 0.70468(18) 0.0565(6) Uani 1 1 d . . . . .
O2 O 0.9022(3) 0.6899(2) 0.64091(18) 0.0567(6) Uani 1 1 d . . . . .
B2 B 0.5633(5) 0.2343(4) 0.7327(3) 0.0552(9) Uani 1 1 d . . . . .
O3 O 0.7685(2) 0.6851(2) 0.81905(17) 0.0531(6) Uani 1 1 d . . . . .
O4 O 0.5198(3) 0.3178(2) 0.6542(2) 0.0655(7) Uani 1 1 d . . . . .
O5 O 0.5351(3) 0.2447(2) 0.83426(19) 0.0584(6) Uani 1 1 d . . . . .
O6 O 0.6376(3) 0.1392(2) 0.70895(18) 0.0561(6) Uani 1 1 d . . . . .
C10 C 0.5918(3) 0.6152(3) 0.7785(3) 0.0498(8) Uani 1 1 d . . . . .
F11 F 0.5282(3) 0.8038(2) 0.74280(19) 0.0693(6) Uani 1 1 d . . . . .
C11 C 0.4984(4) 0.7055(3) 0.7973(3) 0.0555(8) Uani 1 1 d . . . . .
C12 C 0.3783(4) 0.6986(4) 0.8682(3) 0.0631(9) Uani 1 1 d . . . . .
H12 H 0.316566 0.760570 0.880264 0.076 Uiso 1 1 calc R U . . .
C14 C 0.4410(4) 0.5017(4) 0.9044(3) 0.0598(9) Uani 1 1 d . . . . .
H14 H 0.420590 0.433418 0.939684 0.072 Uiso 1 1 calc R U . . .
F13 F 0.2372(3) 0.5871(3) 0.9916(2) 0.0872(8) Uani 1 1 d . . . . .
C13 C 0.3536(4) 0.5964(4) 0.9201(3) 0.0645(10) Uani 1 1 d . . . . .
F15 F 0.6502(3) 0.4256(2) 0.8158(2) 0.0700(6) Uani 1 1 d . . . . .
C15 C 0.5601(4) 0.5142(3) 0.8336(3) 0.0536(8) Uani 1 1 d . . . . .
C20 C 0.9263(4) 0.6860(3) 0.5353(3) 0.0525(8) Uani 1 1 d . . . . .
F21 F 0.7385(3) 0.8152(2) 0.5147(2) 0.0820(8) Uani 1 1 d . . . . .
C21 C 0.8465(4) 0.7496(3) 0.4713(3) 0.0601(9) Uani 1 1 d . . . . .
C22 C 0.8725(5) 0.7488(4) 0.3643(3) 0.0725(12) Uani 1 1 d . . . . .
H22 H 0.816721 0.791808 0.321874 0.087 Uiso 1 1 calc R U . . .
F23 F 1.0111(3) 0.6782(3) 0.22091(19) 0.1011(11) Uani 1 1 d . . . . .
C23 C 0.9843(5) 0.6816(4) 0.3244(3) 0.0689(11) Uani 1 1 d . . . . .
C24 C 1.0687(4) 0.6179(4) 0.3833(3) 0.0662(10) Uani 1 1 d . . . . .
H24 H 1.144179 0.573625 0.353365 0.079 Uiso 1 1 calc R U . . .
F25 F 1.1181(3) 0.5604(3) 0.55101(19) 0.0779(7) Uani 1 1 d . . . . .
C25 C 1.0383(4) 0.6214(3) 0.4897(3) 0.0566(8) Uani 1 1 d . . . . .
C30 C 0.8402(3) 0.7365(3) 0.8403(2) 0.0467(7) Uani 1 1 d . . . . .
F31 F 0.7914(3) 0.8949(2) 0.70692(19) 0.0742(7) Uani 1 1 d . . . . .
C31 C 0.8518(4) 0.8423(3) 0.7862(3) 0.0537(8) Uani 1 1 d . . . . .
C32 C 0.9168(4) 0.8963(4) 0.8116(3) 0.0678(11) Uani 1 1 d . . . . .
H32 H 0.922577 0.968288 0.774227 0.081 Uiso 1 1 calc R U . . .
F33 F 1.0388(3) 0.8895(3) 0.9214(3) 0.1063(12) Uani 1 1 d . . . . .
C33 C 0.9732(4) 0.8388(5) 0.8951(4) 0.0732(13) Uani 1 1 d . . . . .
C34 C 0.9628(5) 0.7350(5) 0.9541(4) 0.0754(13) Uani 1 1 d . . . . .
H34 H 0.998213 0.699754 1.012560 0.090 Uiso 1 1 calc R U . . .
F35 F 0.8849(4) 0.5818(3) 0.9792(2) 0.0953(9) Uani 1 1 d . . . . .
C35 C 0.8985(4) 0.6841(4) 0.9246(3) 0.0616(9) Uani 1 1 d . . . . .
C40 C 0.4311(4) 0.4084(3) 0.6771(3) 0.0537(8) Uani 1 1 d . . . . .
F41 F 0.5825(3) 0.5168(2) 0.57140(18) 0.0733(7) Uani 1 1 d . . . . .
C41 C 0.4615(4) 0.5102(3) 0.6307(2) 0.0562(8) Uani 1 1 d . . . . .
C42 C 0.3724(5) 0.6040(3) 0.6447(3) 0.0639(10) Uani 1 1 d . . . . .
H42 H 0.393801 0.672123 0.612347 0.077 Uiso 1 1 calc R U . . .
F43 F 0.1615(3) 0.6832(3) 0.7255(2) 0.0928(9) Uani 1 1 d . . . . .
C43 C 0.2494(5) 0.5926(4) 0.7093(3) 0.0660(10) Uani 1 1 d . . . . .
C44 C 0.2141(4) 0.4942(4) 0.7578(3) 0.0647(10) Uani 1 1 d . . . . .
H44 H 0.131016 0.488802 0.801478 0.078 Uiso 1 1 calc R U . . .
F45 F 0.2763(3) 0.3048(2) 0.7850(2) 0.0845(8) Uani 1 1 d . . . . .
C45 C 0.3069(4) 0.4032(3) 0.7393(3) 0.0611(9) Uani 1 1 d . . . . .
C50 C 0.5904(4) 0.1686(3) 0.9127(2) 0.0492(7) Uani 1 1 d . . . . .
F51 F 0.3870(3) 0.1434(3) 1.0243(2) 0.0931(9) Uani 1 1 d . . . . .
C51 C 0.5133(4) 0.1191(4) 1.0110(3) 0.0624(10) Uani 1 1 d . . . . .
C52 C 0.5639(6) 0.0462(4) 1.0935(3) 0.0769(14) Uani 1 1 d . . . . .
H52 H 0.511084 0.013185 1.159189 0.092 Uiso 1 1 calc R U . . .
F53 F 0.7476(5) -0.0480(3) 1.1546(3) 0.1225(15) Uani 1 1 d . . . . .
C53 C 0.6949(6) 0.0238(4) 1.0758(3) 0.0781(14) Uani 1 1 d . . . . .
C54 C 0.7757(5) 0.0712(4) 0.9809(4) 0.0696(11) Uani 1 1 d . . . . .
H54 H 0.864318 0.054811 0.970850 0.084 Uiso 1 1 calc R U . . .
F55 F 0.7959(3) 0.1915(3) 0.80625(19) 0.0779(7) Uani 1 1 d . . . . .
C55 C 0.7210(4) 0.1437(3) 0.9011(3) 0.0540(8) Uani 1 1 d . . . . .
C60 C 0.6675(4) 0.1254(3) 0.6063(3) 0.0534(8) Uani 1 1 d . . . . .
F61 F 0.4550(3) 0.1238(3) 0.6295(2) 0.0829(8) Uani 1 1 d . . . . .
C61 C 0.5775(4) 0.1141(3) 0.5678(3) 0.0589(9) Uani 1 1 d . . . . .
C62 C 0.6077(5) 0.0956(4) 0.4676(3) 0.0711(12) Uani 1 1 d . . . . .
H62 H 0.544969 0.091892 0.440519 0.085 Uiso 1 1 calc R U . . .
F63 F 0.7676(4) 0.0629(3) 0.3122(2) 0.1123(12) Uani 1 1 d . . . . .
C63 C 0.7356(6) 0.0831(4) 0.4100(3) 0.0765(13) Uani 1 1 d . . . . .
C64 C 0.8287(5) 0.0928(4) 0.4449(3) 0.0772(12) Uani 1 1 d . . . . .
H64 H 0.914005 0.085549 0.403167 0.093 Uiso 1 1 calc R U . . .
F65 F 0.8827(3) 0.1232(3) 0.5815(2) 0.0861(8) Uani 1 1 d . . . . .
C65 C 0.7930(4) 0.1137(3) 0.5435(3) 0.0619(9) Uani 1 1 d . . . . .
B1 B 0.7944(4) 0.6677(4) 0.7197(3) 0.0516(9) Uani 1 1 d . . . . .
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'
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
B1 O1 C10 121.0(2) . . ?
B1 O2 C20 123.1(3) . . ?
O4 B2 O5 120.4(4) . . ?
O4 B2 O6 119.6(3) . . ?
O5 B2 O6 120.0(3) . . ?
C30 O3 B1 123.0(3) . . ?
B2 O4 C40 121.8(3) . . ?
B2 O5 C50 122.7(3) . . ?
B2 O6 C60 121.5(3) . . ?
C11 C10 O1 122.3(3) . . ?
C11 C10 C15 117.2(3) . . ?
O1 C10 C15 120.4(3) . . ?
F11 C11 C12 119.8(4) . . ?
F11 C11 C10 117.4(3) . . ?
C12 C11 C10 122.8(4) . . ?
C13 C12 C11 116.9(4) . . ?
C13 C12 H12 121.6 . . ?
C11 C12 H12 121.6 . . ?
C15 C14 C13 116.1(4) . . ?
C15 C14 H14 121.9 . . ?
C13 C14 H14 121.9 . . ?
F13 C13 C12 118.2(4) . . ?
F13 C13 C14 117.8(4) . . ?
C12 C13 C14 124.0(4) . . ?
F15 C15 C14 119.3(3) . . ?
F15 C15 C10 117.8(3) . . ?
C14 C15 C10 122.9(4) . . ?
C21 C20 C25 117.9(3) . . ?
C21 C20 O2 122.2(3) . . ?
C25 C20 O2 119.7(3) . . ?
F21 C21 C20 118.1(3) . . ?
F21 C21 C22 119.4(4) . . ?
C20 C21 C22 122.5(4) . . ?
C23 C22 C21 116.7(4) . . ?
C23 C22 H22 121.6 . . ?
C21 C22 H22 121.6 . . ?
F23 C23 C24 118.5(4) . . ?
F23 C23 C22 117.9(4) . . ?
C24 C23 C22 123.5(3) . . ?
C23 C24 C25 117.5(4) . . ?
C23 C24 H24 121.2 . . ?
C25 C24 H24 121.2 . . ?
F25 C25 C20 118.4(3) . . ?
F25 C25 C24 119.8(4) . . ?
C20 C25 C24 121.8(4) . . ?
O3 C30 C31 123.0(3) . . ?
O3 C30 C35 120.1(3) . . ?
C31 C30 C35 116.8(3) . . ?
F31 C31 C32 119.7(4) . . ?
F31 C31 C30 117.0(3) . . ?
C32 C31 C30 123.3(3) . . ?
C31 C32 C33 116.7(4) . . ?
C31 C32 H32 121.7 . . ?
C33 C32 H32 121.7 . . ?
F33 C33 C34 118.7(4) . . ?
F33 C33 C32 118.1(5) . . ?
C34 C33 C32 123.2(4) . . ?
C33 C34 C35 117.8(4) . . ?
C33 C34 H34 121.1 . . ?
C35 C34 H34 121.1 . . ?
F35 C35 C34 120.7(4) . . ?
F35 C35 C30 117.1(3) . . ?
C34 C35 C30 122.2(4) . . ?
O4 C40 C45 121.8(4) . . ?
O4 C40 C41 120.5(4) . . ?
C45 C40 C41 117.5(4) . . ?
F41 C41 C42 119.3(4) . . ?
F41 C41 C40 118.4(4) . . ?
C42 C41 C40 122.3(4) . . ?
C41 C42 C43 117.1(4) . . ?
C41 C42 H42 121.5 . . ?
C43 C42 H42 121.5 . . ?
F43 C43 C44 118.9(4) . . ?
F43 C43 C42 117.9(4) . . ?
C44 C43 C42 123.2(4) . . ?
C43 C44 C45 117.1(4) . . ?
C43 C44 H44 121.4 . . ?
C45 C44 H44 121.4 . . ?
F45 C45 C40 118.0(4) . . ?
F45 C45 C44 119.2(4) . . ?
C40 C45 C44 122.8(4) . . ?
O5 C50 C55 122.7(3) . . ?
O5 C50 C51 119.9(4) . . ?
C55 C50 C51 117.2(3) . . ?
F51 C51 C52 119.9(4) . . ?
F51 C51 C50 118.1(4) . . ?
C52 C51 C50 121.9(4) . . ?
C53 C52 C51 117.7(4) . . ?
C53 C52 H52 121.2 . . ?
C51 C52 H52 121.2 . . ?
F53 C53 C54 117.9(6) . . ?
F53 C53 C52 119.1(5) . . ?
C54 C53 C52 123.0(4) . . ?
C53 C54 C55 117.3(5) . . ?
C53 C54 H54 121.4 . . ?
C55 C54 H54 121.4 . . ?
F55 C55 C54 119.7(4) . . ?
F55 C55 C50 117.5(3) . . ?
C54 C55 C50 122.8(4) . . ?
C61 C60 C65 117.7(3) . . ?
C61 C60 O6 122.1(4) . . ?
C65 C60 O6 119.9(3) . . ?
F61 C61 C60 118.0(3) . . ?
F61 C61 C62 119.5(4) . . ?
C60 C61 C62 122.5(4) . . ?
C63 C62 C61 116.5(4) . . ?
C63 C62 H62 121.8 . . ?
C61 C62 H62 121.8 . . ?
C64 C63 F63 119.4(5) . . ?
C64 C63 C62 123.3(4) . . ?
F63 C63 C62 117.3(5) . . ?
C63 C64 C65 117.8(5) . . ?
C63 C64 H64 121.1 . . ?
C65 C64 H64 121.1 . . ?
F65 C65 C64 119.7(4) . . ?
F65 C65 C60 118.2(3) . . ?
C64 C65 C60 122.1(4) . . ?
O2 B1 O1 121.1(3) . . ?
O2 B1 O3 120.6(3) . . ?
O1 B1 O3 118.2(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
O1 B1 1.364(5) . ?
O1 C10 1.383(4) . ?
O2 B1 1.348(5) . ?
O2 C20 1.388(4) . ?
B2 O4 1.353(5) . ?
B2 O5 1.357(5) . ?
B2 O6 1.372(5) . ?
O3 C30 1.368(4) . ?
O3 B1 1.372(4) . ?
O4 C40 1.371(5) . ?
O5 C50 1.374(4) . ?
O6 C60 1.387(4) . ?
C10 C11 1.377(6) . ?
C10 C15 1.386(5) . ?
F11 C11 1.346(4) . ?
C11 C12 1.375(6) . ?
C12 C13 1.369(7) . ?
C12 H12 0.9300 . ?
C14 C15 1.377(6) . ?
C14 C13 1.382(6) . ?
C14 H14 0.9300 . ?
F13 C13 1.350(5) . ?
F15 C15 1.341(5) . ?
C20 C21 1.366(5) . ?
C20 C25 1.378(6) . ?
F21 C21 1.349(5) . ?
C21 C22 1.388(5) . ?
C22 C23 1.370(7) . ?
C22 H22 0.9300 . ?
F23 C23 1.351(4) . ?
C23 C24 1.359(7) . ?
C24 C25 1.384(5) . ?
C24 H24 0.9300 . ?
F25 C25 1.335(5) . ?
C30 C31 1.373(5) . ?
C30 C35 1.390(5) . ?
F31 C31 1.350(4) . ?
C31 C32 1.368(5) . ?
C32 C33 1.376(7) . ?
C32 H32 0.9300 . ?
F33 C33 1.346(4) . ?
C33 C34 1.358(8) . ?
C34 C35 1.366(6) . ?
C34 H34 0.9300 . ?
F35 C35 1.338(6) . ?
C40 C45 1.374(6) . ?
C40 C41 1.383(5) . ?
F41 C41 1.338(5) . ?
C41 C42 1.376(6) . ?
C42 C43 1.386(7) . ?
C42 H42 0.9300 . ?
F43 C43 1.345(5) . ?
C43 C44 1.365(7) . ?
C44 C45 1.380(6) . ?
C44 H44 0.9300 . ?
F45 C45 1.342(5) . ?
C50 C55 1.377(5) . ?
C50 C51 1.383(5) . ?
F51 C51 1.327(5) . ?
C51 C52 1.373(7) . ?
C52 C53 1.371(8) . ?
C52 H52 0.9300 . ?
F53 C53 1.345(5) . ?
C53 C54 1.367(8) . ?
C54 C55 1.368(6) . ?
C54 H54 0.9300 . ?
F55 C55 1.337(4) . ?
C60 C61 1.368(5) . ?
C60 C65 1.373(6) . ?
F61 C61 1.342(5) . ?
C61 C62 1.381(6) . ?
C62 C63 1.376(8) . ?
C62 H62 0.9300 . ?
F63 C63 1.358(5) . ?
C63 C64 1.356(8) . ?
C64 C65 1.367(6) . ?
C64 H64 0.9300 . ?
F65 C65 1.348(5) . ?
