#------------------------------------------------------------------------------
#$Date: 2019-03-05 09:52:05 +0100 (mar 05 de mar de 2019) $
#$Revision: 213973 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/23/7012320.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_7012320
loop_
_publ_author_name
'Vagedes, Dominik'
'Erker, Gerhard'
'Kehr, Gerald'
'Bergander, Klaus'
'Kataeva, Olga'
'Fröhlich, Roland'
'Grimme, Stefan'
'Mück-Lichtenfeld, Christian'
_publ_section_title
;
 Tris(pentafluorophenyl)borane adducts of substituted imidazoles:
 conformational features and chemical behavior upon deprotonation
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1337
_journal_paper_doi               10.1039/b210030b
_journal_year                    2003
_chemical_formula_sum            'C24 H10 B F15 N2'
_chemical_formula_weight         622.15
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.24(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.791(1)
_cell_length_b                   19.826(1)
_cell_length_c                   12.529(1)
_cell_measurement_temperature    198(2)
_cell_volume                     2376.8(3)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Shedlrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22809
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.185
_exptl_absorpt_correction_T_max  0.9639
_exptl_absorpt_correction_T_min  0.9380
_exptl_absorpt_correction_type   'SORTAV (Blessing, 1995 & 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.250
_refine_diff_density_min         -0.277
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    'refined as riding atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0464P)²+0.5598P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1089
_reflns_number_gt                3695
_reflns_number_total             5800
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210030b.txt
_cod_data_source_block           erk1639
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7012320
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
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N -0.10076(14) 0.36513(7) 0.62246(11) 0.0248(3) Uani 1 1 d . . .
C2 C -0.17808(17) 0.42048(9) 0.61212(15) 0.0263(4) Uani 1 1 d . . .
H2 H -0.2170 0.4418 0.5446 0.032 Uiso 1 1 calc R . .
N3 N -0.19383(15) 0.44210(8) 0.70860(13) 0.0308(4) Uani 1 1 d . . .
C4 C -0.12236(19) 0.39872(11) 0.78784(15) 0.0340(5) Uani 1 1 d . . .
C5 C -0.06296(18) 0.35141(10) 0.73418(14) 0.0313(4) Uani 1 1 d . . .
C6 C -0.2794(2) 0.49952(11) 0.72671(18) 0.0433(5) Uani 1 1 d . . .
H6A H -0.3204 0.5207 0.6565 0.065 Uiso 1 1 calc R . .
H6B H -0.2211 0.5324 0.7741 0.065 Uiso 1 1 calc R . .
H6C H -0.3543 0.4840 0.7617 0.065 Uiso 1 1 calc R . .
C7 C -0.1226(3) 0.40738(15) 0.90531(17) 0.0570(7) Uani 1 1 d . . .
H7A H -0.0706 0.3703 0.9471 0.085 Uiso 1 1 calc R . .
H7B H -0.2191 0.4072 0.9155 0.085 Uiso 1 1 calc R . .
H7C H -0.0783 0.4504 0.9310 0.085 Uiso 1 1 calc R . .
C8 C 0.0256(2) 0.29286(11) 0.78086(16) 0.0431(5) Uani 1 1 d . . .
H8A H 0.1244 0.3045 0.7881 0.065 Uiso 1 1 calc R . .
H8B H 0.0028 0.2539 0.7322 0.065 Uiso 1 1 calc R . .
H8C H 0.0077 0.2817 0.8529 0.065 Uiso 1 1 calc R . .
B B -0.05590(19) 0.32554(11) 0.52522(16) 0.0245(4) Uani 1 1 d . . .
C11 C -0.11311(16) 0.24760(9) 0.51573(13) 0.0245(4) Uani 1 1 d . . .
C12 C -0.07528(18) 0.20471(10) 0.43915(14) 0.0306(4) Uani 1 1 d . . .
F12 F 0.00978(12) 0.22821(6) 0.37550(9) 0.0411(3) Uani 1 1 d . . .
C13 C -0.1171(2) 0.13876(10) 0.42332(16) 0.0368(5) Uani 1 1 d . . .
F13 F -0.07159(15) 0.09971(7) 0.35013(11) 0.0580(4) Uani 1 1 d . . .
C14 C -0.2066(2) 0.11264(10) 0.48336(17) 0.0387(5) Uani 1 1 d . . .
F14 F -0.25055(15) 0.04877(6) 0.46937(12) 0.0628(4) Uani 1 1 d . . .
C15 C -0.25134(18) 0.15292(10) 0.55746(15) 0.0320(4) Uani 1 1 d . . .
F15 F -0.34024(12) 0.12849(6) 0.61589(10) 0.0478(3) Uani 1 1 d . . .
C16 C -0.20496(17) 0.21850(9) 0.57217(14) 0.0267(4) Uani 1 1 d . . .
F16 F -0.25638(10) 0.25367(6) 0.64633(9) 0.0362(3) Uani 1 1 d . . .
C21 C 0.11630(17) 0.33187(9) 0.55333(13) 0.0251(4) Uani 1 1 d . . .
C22 C 0.17731(18) 0.39538(9) 0.56319(15) 0.0291(4) Uani 1 1 d . . .
F22 F 0.09530(10) 0.45081(5) 0.54283(9) 0.0380(3) Uani 1 1 d . . .
C23 C 0.31820(18) 0.40703(10) 0.59201(15) 0.0321(4) Uani 1 1 d . . .
F23 F 0.36860(11) 0.47051(6) 0.59851(11) 0.0482(3) Uani 1 1 d . . .
C24 C 0.40875(17) 0.35360(10) 0.61500(16) 0.0336(4) Uani 1 1 d . . .
F24 F 0.54594(10) 0.36452(6) 0.64605(10) 0.0477(3) Uani 1 1 d . . .
C25 C 0.35536(18) 0.28965(10) 0.60774(16) 0.0319(4) Uani 1 1 d . . .
F25 F 0.44087(11) 0.23637(6) 0.63006(11) 0.0480(3) Uani 1 1 d . . .
C26 C 0.21267(18) 0.28040(9) 0.57853(15) 0.0280(4) Uani 1 1 d . . .
F26 F 0.17200(10) 0.21541(5) 0.57936(9) 0.0400(3) Uani 1 1 d . . .
C31 C -0.13460(17) 0.36077(9) 0.40897(14) 0.0247(4) Uani 1 1 d . . .
C32 C -0.07316(18) 0.38752(10) 0.32896(14) 0.0289(4) Uani 1 1 d . . .
F32 F 0.06698(11) 0.38897(6) 0.34131(9) 0.0422(3) Uani 1 1 d . . .
C33 C -0.1466(2) 0.41340(10) 0.23129(15) 0.0331(4) Uani 1 1 d . . .
F33 F -0.07821(13) 0.43929(7) 0.15844(9) 0.0508(3) Uani 1 1 d . . .
C34 C -0.2894(2) 0.41223(10) 0.20833(15) 0.0336(4) Uani 1 1 d . . .
F34 F -0.36289(13) 0.43562(7) 0.11306(9) 0.0506(3) Uani 1 1 d . . .
C35 C -0.35685(18) 0.38594(9) 0.28369(15) 0.0303(4) Uani 1 1 d . . .
F35 F -0.49723(11) 0.38458(6) 0.26328(9) 0.0447(3) Uani 1 1 d . . .
C36 C -0.27983(17) 0.36090(9) 0.37990(14) 0.0265(4) Uani 1 1 d . . .
F36 F -0.35430(10) 0.33550(6) 0.45039(8) 0.0342(3) 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 0.0033 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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 N1 C5 106.51(15) . . ?
C2 N1 B 125.47(14) . . ?
C5 N1 B 127.96(15) . . ?
N3 C2 N1 110.76(15) . . ?
C2 N3 C4 108.35(15) . . ?
C2 N3 C6 125.25(17) . . ?
C4 N3 C6 126.30(16) . . ?
C5 C4 N3 106.19(16) . . ?
C5 C4 C7 131.6(2) . . ?
N3 C4 C7 122.18(18) . . ?
C4 C5 N1 108.18(16) . . ?
C4 C5 C8 128.24(17) . . ?
N1 C5 C8 123.56(17) . . ?
N1 B C11 112.07(14) . . ?
N1 B C31 108.33(14) . . ?
C11 B C31 104.26(13) . . ?
N1 B C21 103.57(13) . . ?
C11 B C21 113.86(14) . . ?
C31 B C21 114.84(14) . . ?
C16 C11 C12 113.28(16) . . ?
C16 C11 B 127.28(16) . . ?
C12 C11 B 119.32(15) . . ?
F12 C12 C13 116.45(17) . . ?
F12 C12 C11 118.95(16) . . ?
C13 C12 C11 124.60(17) . . ?
F13 C13 C14 119.92(18) . . ?
F13 C13 C12 120.99(18) . . ?
C14 C13 C12 119.09(18) . . ?
F14 C14 C15 120.15(18) . . ?
F14 C14 C13 120.73(19) . . ?
C15 C14 C13 119.12(18) . . ?
F15 C15 C14 119.94(17) . . ?
F15 C15 C16 120.12(17) . . ?
C14 C15 C16 119.94(17) . . ?
F16 C16 C15 114.96(15) . . ?
F16 C16 C11 121.16(16) . . ?
C15 C16 C11 123.89(17) . . ?
C26 C21 C22 112.95(15) . . ?
C26 C21 B 127.57(16) . . ?
C22 C21 B 119.23(15) . . ?
F22 C22 C23 115.92(16) . . ?
F22 C22 C21 119.55(15) . . ?
C23 C22 C21 124.54(17) . . ?
F23 C23 C22 120.58(17) . . ?
F23 C23 C24 119.74(16) . . ?
C22 C23 C24 119.68(17) . . ?
F24 C24 C25 121.12(17) . . ?
F24 C24 C23 120.11(17) . . ?
C25 C24 C23 118.75(16) . . ?
F25 C25 C24 120.27(16) . . ?
F25 C25 C26 120.23(17) . . ?
C24 C25 C26 119.50(17) . . ?
F26 C26 C25 114.13(15) . . ?
F26 C26 C21 121.28(15) . . ?
C25 C26 C21 124.57(17) . . ?
C32 C31 C36 112.83(15) . . ?
C32 C31 B 127.56(15) . . ?
C36 C31 B 119.45(15) . . ?
F32 C32 C31 120.98(15) . . ?
F32 C32 C33 114.82(16) . . ?
C31 C32 C33 124.19(16) . . ?
F33 C33 C34 119.90(16) . . ?
F33 C33 C32 120.27(17) . . ?
C34 C33 C32 119.83(17) . . ?
F34 C34 C35 120.07(17) . . ?
F34 C34 C33 120.95(18) . . ?
C35 C34 C33 118.97(16) . . ?
F35 C35 C34 120.09(15) . . ?
F35 C35 C36 120.62(17) . . ?
C34 C35 C36 119.29(16) . . ?
F36 C36 C35 115.80(15) . . ?
F36 C36 C31 119.33(15) . . ?
C35 C36 C31 124.86(17) . . ?
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
N1 C2 1.324(2) . ?
N1 C5 1.397(2) . ?
N1 B 1.588(2) . ?
C2 N3 1.322(2) . ?
N3 C4 1.386(3) . ?
N3 C6 1.459(2) . ?
C4 C5 1.355(3) . ?
C4 C7 1.482(3) . ?
C5 C8 1.492(3) . ?
B C11 1.639(3) . ?
B C31 1.651(3) . ?
B C21 1.652(2) . ?
C11 C16 1.383(2) . ?
C11 C12 1.390(3) . ?
C12 F12 1.352(2) . ?
C12 C13 1.372(3) . ?
C13 F13 1.346(2) . ?
C13 C14 1.372(3) . ?
C14 F14 1.337(2) . ?
C14 C15 1.365(3) . ?
C15 F15 1.341(2) . ?
C15 C16 1.377(3) . ?
C16 F16 1.342(2) . ?
C21 C26 1.380(2) . ?
C21 C22 1.388(3) . ?
C22 F22 1.353(2) . ?
C22 C23 1.369(2) . ?
C23 F23 1.348(2) . ?
C23 C24 1.372(3) . ?
C24 F24 1.334(2) . ?
C24 C25 1.367(3) . ?
C25 F25 1.340(2) . ?
C25 C26 1.379(3) . ?
C26 F26 1.349(2) . ?
C31 C32 1.380(2) . ?
C31 C36 1.391(2) . ?
C32 F32 1.348(2) . ?
C32 C33 1.380(3) . ?
C33 F33 1.343(2) . ?
C33 C34 1.367(3) . ?
C34 F34 1.339(2) . ?
C34 C35 1.365(3) . ?
C35 F35 1.344(2) . ?
C35 C36 1.372(2) . ?
C36 F36 1.356(2) . ?
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
C5 N1 C2 N3 -1.01(19) . . . . ?
B N1 C2 N3 -178.35(14) . . . . ?
N1 C2 N3 C4 0.2(2) . . . . ?
N1 C2 N3 C6 -176.30(16) . . . . ?
C2 N3 C4 C5 0.7(2) . . . . ?
C6 N3 C4 C5 177.16(17) . . . . ?
C2 N3 C4 C7 -177.98(19) . . . . ?
C6 N3 C4 C7 -1.5(3) . . . . ?
N3 C4 C5 N1 -1.3(2) . . . . ?
C7 C4 C5 N1 177.2(2) . . . . ?
N3 C4 C5 C8 179.97(19) . . . . ?
C7 C4 C5 C8 -1.5(4) . . . . ?
C2 N1 C5 C4 1.4(2) . . . . ?
B N1 C5 C4 178.69(16) . . . . ?
C2 N1 C5 C8 -179.76(18) . . . . ?
B N1 C5 C8 -2.5(3) . . . . ?
C2 N1 B C11 -119.93(17) . . . . ?
C5 N1 B C11 63.3(2) . . . . ?
C2 N1 B C31 -5.5(2) . . . . ?
C5 N1 B C31 177.78(15) . . . . ?
C2 N1 B C21 116.90(17) . . . . ?
C5 N1 B C21 -59.9(2) . . . . ?
N1 B C11 C16 8.4(2) . . . . ?
C31 B C11 C16 -108.59(18) . . . . ?
C21 B C11 C16 125.50(18) . . . . ?
N1 B C11 C12 -175.89(14) . . . . ?
C31 B C11 C12 67.16(18) . . . . ?
C21 B C11 C12 -58.7(2) . . . . ?
C16 C11 C12 F12 177.36(15) . . . . ?
B C11 C12 F12 1.0(2) . . . . ?
C16 C11 C12 C13 -3.3(3) . . . . ?
B C11 C12 C13 -179.67(17) . . . . ?
F12 C12 C13 F13 1.8(3) . . . . ?
C11 C12 C13 F13 -177.49(16) . . . . ?
F12 C12 C13 C14 -178.19(16) . . . . ?
C11 C12 C13 C14 2.5(3) . . . . ?
F13 C13 C14 F14 -0.7(3) . . . . ?
C12 C13 C14 F14 179.36(17) . . . . ?
F13 C13 C14 C15 179.81(17) . . . . ?
C12 C13 C14 C15 -0.2(3) . . . . ?
F14 C14 C15 F15 -0.4(3) . . . . ?
C13 C14 C15 F15 179.16(17) . . . . ?
F14 C14 C15 C16 179.51(16) . . . . ?
C13 C14 C15 C16 -0.9(3) . . . . ?
F15 C15 C16 F16 -0.6(2) . . . . ?
C14 C15 C16 F16 179.51(16) . . . . ?
F15 C15 C16 C11 179.78(15) . . . . ?
C14 C15 C16 C11 -0.1(3) . . . . ?
C12 C11 C16 F16 -177.47(15) . . . . ?
B C11 C16 F16 -1.5(3) . . . . ?
C12 C11 C16 C15 2.1(2) . . . . ?
B C11 C16 C15 178.10(16) . . . . ?
N1 B C21 C26 115.68(19) . . . . ?
C11 B C21 C26 -6.3(2) . . . . ?
C31 B C21 C26 -126.40(19) . . . . ?
N1 B C21 C22 -58.1(2) . . . . ?
C11 B C21 C22 179.88(15) . . . . ?
C31 B C21 C22 59.8(2) . . . . ?
C26 C21 C22 F22 -178.89(15) . . . . ?
B C21 C22 F22 -4.2(2) . . . . ?
C26 C21 C22 C23 1.6(3) . . . . ?
B C21 C22 C23 176.29(17) . . . . ?
F22 C22 C23 F23 -0.2(3) . . . . ?
C21 C22 C23 F23 179.28(17) . . . . ?
F22 C22 C23 C24 179.43(16) . . . . ?
C21 C22 C23 C24 -1.0(3) . . . . ?
F23 C23 C24 F24 1.5(3) . . . . ?
C22 C23 C24 F24 -178.16(17) . . . . ?
F23 C23 C24 C25 -179.91(17) . . . . ?
C22 C23 C24 C25 0.4(3) . . . . ?
F24 C24 C25 F25 -1.2(3) . . . . ?
C23 C24 C25 F25 -179.74(18) . . . . ?
F24 C24 C25 C26 178.06(17) . . . . ?
C23 C24 C25 C26 -0.5(3) . . . . ?
F25 C25 C26 F26 2.4(3) . . . . ?
C24 C25 C26 F26 -176.88(17) . . . . ?
F25 C25 C26 C21 -179.53(17) . . . . ?
C24 C25 C26 C21 1.2(3) . . . . ?
C22 C21 C26 F26 176.30(16) . . . . ?
B C21 C26 F26 2.1(3) . . . . ?
C22 C21 C26 C25 -1.7(3) . . . . ?
B C21 C26 C25 -175.85(17) . . . . ?
N1 B C31 C32 123.01(19) . . . . ?
C11 B C31 C32 -117.47(19) . . . . ?
C21 B C31 C32 7.8(3) . . . . ?
N1 B C31 C36 -62.0(2) . . . . ?
C11 B C31 C36 57.5(2) . . . . ?
C21 B C31 C36 -177.18(15) . . . . ?
C36 C31 C32 F32 -177.34(16) . . . . ?
B C31 C32 F32 -2.1(3) . . . . ?
C36 C31 C32 C33 1.6(3) . . . . ?
B C31 C32 C33 176.84(18) . . . . ?
F32 C32 C33 F33 -1.9(3) . . . . ?
C31 C32 C33 F33 179.15(17) . . . . ?
F32 C32 C33 C34 177.64(17) . . . . ?
C31 C32 C33 C34 -1.3(3) . . . . ?
F33 C33 C34 F34 1.1(3) . . . . ?
C32 C33 C34 F34 -178.44(18) . . . . ?
F33 C33 C34 C35 -179.74(17) . . . . ?
C32 C33 C34 C35 0.7(3) . . . . ?
F34 C34 C35 F35 -1.2(3) . . . . ?
C33 C34 C35 F35 179.62(17) . . . . ?
F34 C34 C35 C36 178.62(17) . . . . ?
C33 C34 C35 C36 -0.5(3) . . . . ?
F35 C35 C36 F36 0.0(3) . . . . ?
C34 C35 C36 F36 -179.82(16) . . . . ?
F35 C35 C36 C31 -179.21(16) . . . . ?
C34 C35 C36 C31 1.0(3) . . . . ?
C32 C31 C36 F36 179.42(15) . . . . ?
B C31 C36 F36 3.7(2) . . . . ?
C32 C31 C36 C35 -1.4(3) . . . . ?
B C31 C36 C35 -177.09(17) . . . . ?
