#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/23/7012321.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_7012321
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            'C26 H8 B F15 N2'
_chemical_formula_weight         644.15
_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                 100.61(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.949(1)
_cell_length_b                   15.245(1)
_cell_length_c                   16.698(1)
_cell_measurement_temperature    198(2)
_cell_volume                     2489.3(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 (Sheldrick, 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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15549
_diffrn_reflns_theta_full        27.90
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.180
_exptl_absorpt_correction_T_max  0.9648
_exptl_absorpt_correction_T_min  0.8995
_exptl_absorpt_correction_type   'SORTAV (Blessing, 1995 & 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    'refined as riding atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         5909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0499
_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)+(0.0508P)²+0.9996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1311
_reflns_number_gt                3742
_reflns_number_total             5909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210030b.txt
_cod_data_source_block           erk1480
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7012321
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 -0.00237(16) 0.83796(11) 0.16210(10) 0.0299(4) Uani 1 1 d . . .
C2 C 0.0656(2) 0.89264(14) 0.12251(12) 0.0339(5) Uani 1 1 d . . .
H2 H 0.1050 0.9462 0.1446 0.041 Uiso 1 1 calc R . .
N3 N 0.07232(18) 0.86359(12) 0.04779(10) 0.0376(4) Uani 1 1 d . . .
C4 C 0.0041(2) 0.78411(14) 0.03701(12) 0.0355(5) Uani 1 1 d . . .
C5 C -0.0444(2) 0.76799(14) 0.10884(12) 0.0314(4) Uani 1 1 d . . .
C6 C -0.0182(2) 0.72632(17) -0.02885(14) 0.0480(6) Uani 1 1 d . . .
H6 H 0.0150 0.7380 -0.0776 0.058 Uiso 1 1 calc R . .
C7 C -0.0906(3) 0.65184(18) -0.01946(15) 0.0549(7) Uani 1 1 d . . .
H7 H -0.1083 0.6107 -0.0629 0.066 Uiso 1 1 calc R . .
C8 C -0.1392(3) 0.63467(17) 0.05247(15) 0.0507(6) Uani 1 1 d . . .
H8 H -0.1890 0.5822 0.0565 0.061 Uiso 1 1 calc R . .
C9 C -0.1171(2) 0.69161(15) 0.11763(14) 0.0409(5) Uani 1 1 d . . .
H9 H -0.1500 0.6793 0.1664 0.049 Uiso 1 1 calc R . .
C10 C 0.1438(3) 0.90495(19) -0.01150(15) 0.0569(7) Uani 1 1 d . . .
H10A H 0.1781 0.9626 0.0088 0.085 Uiso 1 1 calc R . .
H10B H 0.0805 0.9121 -0.0635 0.085 Uiso 1 1 calc R . .
H10C H 0.2207 0.8679 -0.0195 0.085 Uiso 1 1 calc R . .
B B -0.0417(2) 0.85022(15) 0.25014(13) 0.0307(5) Uani 1 1 d . . .
C11 C 0.0264(2) 0.77189(13) 0.31196(12) 0.0316(4) Uani 1 1 d . . .
C12 C -0.0091(2) 0.76654(14) 0.38843(13) 0.0363(5) Uani 1 1 d . . .
F12 F -0.10574(14) 0.82178(9) 0.40727(7) 0.0480(4) Uani 1 1 d . . .
C13 C 0.0477(3) 0.70858(15) 0.44840(13) 0.0428(6) Uani 1 1 d . . .
F13 F 0.00216(18) 0.70417(9) 0.51904(8) 0.0634(4) Uani 1 1 d . . .
C14 C 0.1501(3) 0.65361(14) 0.43402(13) 0.0435(6) Uani 1 1 d . . .
F14 F 0.20866(17) 0.59697(9) 0.49181(8) 0.0621(4) Uani 1 1 d . . .
C15 C 0.1915(2) 0.65677(14) 0.36022(14) 0.0393(5) Uani 1 1 d . . .
F15 F 0.29247(14) 0.60269(9) 0.34625(8) 0.0549(4) Uani 1 1 d . . .
C16 C 0.1295(2) 0.71448(13) 0.30119(12) 0.0325(5) Uani 1 1 d . . .
F16 F 0.17908(12) 0.71374(8) 0.23106(7) 0.0410(3) Uani 1 1 d . . .
C21 C -0.2100(2) 0.85302(14) 0.22892(12) 0.0350(5) Uani 1 1 d . . .
C22 C -0.2726(2) 0.92089(17) 0.18086(13) 0.0436(6) Uani 1 1 d . . .
F22 F -0.19375(15) 0.98463(9) 0.15601(8) 0.0540(4) Uani 1 1 d . . .
C23 C -0.4112(3) 0.9296(2) 0.15546(14) 0.0594(8) Uani 1 1 d . . .
F23 F -0.46355(18) 0.99670(15) 0.10774(10) 0.0927(7) Uani 1 1 d . . .
C24 C -0.4969(3) 0.8669(3) 0.17784(16) 0.0708(10) Uani 1 1 d . . .
F24 F -0.63179(15) 0.87189(18) 0.14987(10) 0.1095(9) Uani 1 1 d . . .
C25 C -0.4419(3) 0.7987(2) 0.22525(16) 0.0601(8) Uani 1 1 d . . .
F25 F -0.52336(16) 0.73588(15) 0.24721(11) 0.0909(7) Uani 1 1 d . . .
C26 C -0.3020(2) 0.79220(17) 0.24852(14) 0.0439(6) Uani 1 1 d . . .
F26 F -0.25766(15) 0.71911(10) 0.29163(9) 0.0573(4) Uani 1 1 d . . .
C31 C 0.0259(2) 0.94112(13) 0.29392(12) 0.0319(4) Uani 1 1 d . . .
C32 C -0.0421(2) 1.00486(15) 0.33059(13) 0.0389(5) Uani 1 1 d . . .
F32 F -0.17846(13) 1.00030(9) 0.32838(9) 0.0520(4) Uani 1 1 d . . .
C33 C 0.0214(3) 1.07584(16) 0.37247(15) 0.0474(6) Uani 1 1 d . . .
F33 F -0.05313(17) 1.13522(10) 0.40475(11) 0.0724(5) Uani 1 1 d . . .
C34 C 0.1595(3) 1.08749(15) 0.38001(14) 0.0471(6) Uani 1 1 d . . .
F34 F 0.22153(17) 1.15730(10) 0.41957(10) 0.0669(4) Uani 1 1 d . . .
C35 C 0.2332(2) 1.02594(15) 0.34617(13) 0.0402(5) Uani 1 1 d . . .
F35 F 0.36924(14) 1.03468(9) 0.35281(9) 0.0543(4) Uani 1 1 d . . .
C36 C 0.1661(2) 0.95515(14) 0.30615(12) 0.0333(5) Uani 1 1 d . . .
F36 F 0.24684(12) 0.89542(8) 0.27746(7) 0.0418(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 106.39(16) . . ?
C2 N1 B 128.22(17) . . ?
C5 N1 B 125.23(16) . . ?
N1 C2 N3 112.03(19) . . ?
C2 N3 C4 107.68(17) . . ?
C2 N3 C10 127.0(2) . . ?
C4 N3 C10 125.22(19) . . ?
N3 C4 C6 131.2(2) . . ?
N3 C4 C5 106.34(18) . . ?
C6 C4 C5 122.5(2) . . ?
C9 C5 C4 120.44(19) . . ?
C9 C5 N1 131.99(19) . . ?
C4 C5 N1 107.55(18) . . ?
C7 C6 C4 116.4(2) . . ?
C6 C7 C8 121.7(2) . . ?
C9 C8 C7 122.0(2) . . ?
C8 C9 C5 117.0(2) . . ?
N1 B C11 110.51(16) . . ?
N1 B C21 102.48(15) . . ?
C11 B C21 116.10(17) . . ?
N1 B C31 110.87(16) . . ?
C11 B C31 104.18(16) . . ?
C21 B C31 112.86(17) . . ?
C16 C11 C12 113.73(19) . . ?
C16 C11 B 127.45(18) . . ?
C12 C11 B 118.39(18) . . ?
F12 C12 C13 116.31(18) . . ?
F12 C12 C11 119.19(18) . . ?
C13 C12 C11 124.5(2) . . ?
F13 C13 C14 120.3(2) . . ?
F13 C13 C12 120.8(2) . . ?
C14 C13 C12 118.9(2) . . ?
F14 C14 C15 120.4(2) . . ?
F14 C14 C13 120.2(2) . . ?
C15 C14 C13 119.4(2) . . ?
F15 C15 C14 119.30(19) . . ?
F15 C15 C16 120.91(19) . . ?
C14 C15 C16 119.8(2) . . ?
F16 C16 C15 115.33(18) . . ?
F16 C16 C11 120.98(18) . . ?
C15 C16 C11 123.66(19) . . ?
C26 C21 C22 113.0(2) . . ?
C26 C21 B 128.5(2) . . ?
C22 C21 B 118.37(19) . . ?
F22 C22 C23 116.1(2) . . ?
F22 C22 C21 119.1(2) . . ?
C23 C22 C21 124.8(3) . . ?
F23 C23 C22 121.0(3) . . ?
F23 C23 C24 119.9(3) . . ?
C22 C23 C24 119.1(3) . . ?
F24 C24 C25 121.0(3) . . ?
F24 C24 C23 119.8(3) . . ?
C25 C24 C23 119.1(2) . . ?
F25 C25 C24 120.3(3) . . ?
F25 C25 C26 119.9(3) . . ?
C24 C25 C26 119.8(3) . . ?
F26 C26 C25 115.0(2) . . ?
F26 C26 C21 120.8(2) . . ?
C25 C26 C21 124.3(3) . . ?
C36 C31 C32 112.64(19) . . ?
C36 C31 B 120.70(18) . . ?
C32 C31 B 126.21(19) . . ?
F32 C32 C33 114.71(19) . . ?
F32 C32 C31 121.31(19) . . ?
C33 C32 C31 124.0(2) . . ?
F33 C33 C34 119.6(2) . . ?
F33 C33 C32 119.9(2) . . ?
C34 C33 C32 120.5(2) . . ?
F34 C34 C33 120.8(2) . . ?
F34 C34 C35 120.8(2) . . ?
C33 C34 C35 118.5(2) . . ?
F35 C35 C34 120.2(2) . . ?
F35 C35 C36 120.6(2) . . ?
C34 C35 C36 119.1(2) . . ?
F36 C36 C35 115.56(19) . . ?
F36 C36 C31 119.21(18) . . ?
C35 C36 C31 125.2(2) . . ?
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(3) . ?
N1 C5 1.402(3) . ?
N1 B 1.600(3) . ?
C2 N3 1.337(3) . ?
N3 C4 1.384(3) . ?
N3 C10 1.464(3) . ?
C4 C6 1.395(3) . ?
C4 C5 1.395(3) . ?
C5 C9 1.393(3) . ?
C6 C7 1.369(4) . ?
C7 C8 1.400(4) . ?
C8 C9 1.378(3) . ?
B C11 1.641(3) . ?
B C21 1.647(3) . ?
B C31 1.651(3) . ?
C11 C16 1.385(3) . ?
C11 C12 1.389(3) . ?
C12 F12 1.358(2) . ?
C12 C13 1.377(3) . ?
C13 F13 1.341(2) . ?
C13 C14 1.374(3) . ?
C14 F14 1.345(2) . ?
C14 C15 1.370(3) . ?
C15 F15 1.353(2) . ?
C15 C16 1.379(3) . ?
C16 F16 1.351(2) . ?
C21 C26 1.384(3) . ?
C21 C22 1.385(3) . ?
C22 F22 1.361(3) . ?
C22 C23 1.373(3) . ?
C23 F23 1.342(3) . ?
C23 C24 1.377(5) . ?
C24 F24 1.340(3) . ?
C24 C25 1.359(5) . ?
C25 F25 1.348(3) . ?
C25 C26 1.378(3) . ?
C26 F26 1.356(3) . ?
C31 C36 1.389(3) . ?
C31 C32 1.389(3) . ?
C32 F32 1.352(2) . ?
C32 C33 1.377(3) . ?
C33 F33 1.344(3) . ?
C33 C34 1.368(4) . ?
C34 F34 1.341(3) . ?
C34 C35 1.375(3) . ?
C35 F35 1.344(3) . ?
C35 C36 1.376(3) . ?
C36 F36 1.359(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 -0.5(2) . . . . ?
B N1 C2 N3 -175.95(18) . . . . ?
N1 C2 N3 C4 0.0(2) . . . . ?
N1 C2 N3 C10 -177.3(2) . . . . ?
C2 N3 C4 C6 -179.4(2) . . . . ?
C10 N3 C4 C6 -2.1(4) . . . . ?
C2 N3 C4 C5 0.5(2) . . . . ?
C10 N3 C4 C5 177.9(2) . . . . ?
N3 C4 C5 C9 -179.33(19) . . . . ?
C6 C4 C5 C9 0.6(3) . . . . ?
N3 C4 C5 N1 -0.8(2) . . . . ?
C6 C4 C5 N1 179.1(2) . . . . ?
C2 N1 C5 C9 179.1(2) . . . . ?
B N1 C5 C9 -5.3(3) . . . . ?
C2 N1 C5 C4 0.8(2) . . . . ?
B N1 C5 C4 176.44(17) . . . . ?
N3 C4 C6 C7 179.7(2) . . . . ?
C5 C4 C6 C7 -0.2(3) . . . . ?
C4 C6 C7 C8 -0.1(4) . . . . ?
C6 C7 C8 C9 0.0(4) . . . . ?
C7 C8 C9 C5 0.4(4) . . . . ?
C4 C5 C9 C8 -0.7(3) . . . . ?
N1 C5 C9 C8 -178.8(2) . . . . ?
C2 N1 B C11 -119.8(2) . . . . ?
C5 N1 B C11 65.6(2) . . . . ?
C2 N1 B C21 115.9(2) . . . . ?
C5 N1 B C21 -58.7(2) . . . . ?
C2 N1 B C31 -4.8(3) . . . . ?
C5 N1 B C31 -179.42(17) . . . . ?
N1 B C11 C16 15.0(3) . . . . ?
C21 B C11 C16 131.1(2) . . . . ?
C31 B C11 C16 -104.1(2) . . . . ?
N1 B C11 C12 -173.06(18) . . . . ?
C21 B C11 C12 -56.9(2) . . . . ?
C31 B C11 C12 67.8(2) . . . . ?
C16 C11 C12 F12 177.71(18) . . . . ?
B C11 C12 F12 4.7(3) . . . . ?
C16 C11 C12 C13 -1.9(3) . . . . ?
B C11 C12 C13 -174.9(2) . . . . ?
F12 C12 C13 F13 4.2(3) . . . . ?
C11 C12 C13 F13 -176.2(2) . . . . ?
F12 C12 C13 C14 -177.3(2) . . . . ?
C11 C12 C13 C14 2.3(4) . . . . ?
F13 C13 C14 F14 -2.3(4) . . . . ?
C12 C13 C14 F14 179.2(2) . . . . ?
F13 C13 C14 C15 177.4(2) . . . . ?
C12 C13 C14 C15 -1.0(4) . . . . ?
F14 C14 C15 F15 -0.4(3) . . . . ?
C13 C14 C15 F15 179.9(2) . . . . ?
F14 C14 C15 C16 179.3(2) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
F15 C15 C16 F16 -1.4(3) . . . . ?
C14 C15 C16 F16 178.91(19) . . . . ?
F15 C15 C16 C11 -179.50(19) . . . . ?
C14 C15 C16 C11 0.8(3) . . . . ?
C12 C11 C16 F16 -177.70(18) . . . . ?
B C11 C16 F16 -5.4(3) . . . . ?
C12 C11 C16 C15 0.3(3) . . . . ?
B C11 C16 C15 172.6(2) . . . . ?
N1 B C21 C26 112.2(2) . . . . ?
C11 B C21 C26 -8.3(3) . . . . ?
C31 B C21 C26 -128.5(2) . . . . ?
N1 B C21 C22 -63.2(2) . . . . ?
C11 B C21 C22 176.30(18) . . . . ?
C31 B C21 C22 56.1(2) . . . . ?
C26 C21 C22 F22 -178.96(18) . . . . ?
B C21 C22 F22 -2.9(3) . . . . ?
C26 C21 C22 C23 1.1(3) . . . . ?
B C21 C22 C23 177.1(2) . . . . ?
F22 C22 C23 F23 1.2(3) . . . . ?
C21 C22 C23 F23 -178.9(2) . . . . ?
F22 C22 C23 C24 179.4(2) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
F23 C23 C24 F24 2.0(4) . . . . ?
C22 C23 C24 F24 -176.3(2) . . . . ?
F23 C23 C24 C25 179.1(2) . . . . ?
C22 C23 C24 C25 0.8(4) . . . . ?
F24 C24 C25 F25 -2.1(4) . . . . ?
C23 C24 C25 F25 -179.2(2) . . . . ?
F24 C24 C25 C26 175.6(2) . . . . ?
C23 C24 C25 C26 -1.5(4) . . . . ?
F25 C25 C26 F26 1.4(3) . . . . ?
C24 C25 C26 F26 -176.3(2) . . . . ?
F25 C25 C26 C21 179.8(2) . . . . ?
C24 C25 C26 C21 2.2(4) . . . . ?
C22 C21 C26 F26 176.51(19) . . . . ?
B C21 C26 F26 0.9(3) . . . . ?
C22 C21 C26 C25 -1.8(3) . . . . ?
B C21 C26 C25 -177.4(2) . . . . ?
N1 B C31 C36 -57.0(2) . . . . ?
C11 B C31 C36 61.9(2) . . . . ?
C21 B C31 C36 -171.32(17) . . . . ?
N1 B C31 C32 131.3(2) . . . . ?
C11 B C31 C32 -109.8(2) . . . . ?
C21 B C31 C32 17.0(3) . . . . ?
C36 C31 C32 F32 -177.12(19) . . . . ?
B C31 C32 F32 -4.8(3) . . . . ?
C36 C31 C32 C33 1.9(3) . . . . ?
B C31 C32 C33 174.1(2) . . . . ?
F32 C32 C33 F33 -2.2(3) . . . . ?
C31 C32 C33 F33 178.8(2) . . . . ?
F32 C32 C33 C34 179.2(2) . . . . ?
C31 C32 C33 C34 0.2(4) . . . . ?
F33 C33 C34 F34 0.3(4) . . . . ?
C32 C33 C34 F34 178.9(2) . . . . ?
F33 C33 C34 C35 -179.8(2) . . . . ?
C32 C33 C34 C35 -1.2(4) . . . . ?
F34 C34 C35 F35 0.5(3) . . . . ?
C33 C34 C35 F35 -179.5(2) . . . . ?
F34 C34 C35 C36 179.9(2) . . . . ?
C33 C34 C35 C36 0.0(3) . . . . ?
F35 C35 C36 F36 2.2(3) . . . . ?
C34 C35 C36 F36 -177.30(19) . . . . ?
F35 C35 C36 C31 -178.13(19) . . . . ?
C34 C35 C36 C31 2.4(3) . . . . ?
C32 C31 C36 F36 176.50(17) . . . . ?
B C31 C36 F36 3.8(3) . . . . ?
C32 C31 C36 C35 -3.2(3) . . . . ?
B C31 C36 C35 -175.95(19) . . . . ?
