#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/23/7012323.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_7012323
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 H7 B F14 N2'
_chemical_formula_weight         624.15
_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                 99.00(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.259(3)
_cell_length_b                   11.878(4)
_cell_length_c                   17.461(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      46.08
_cell_measurement_theta_min      40.06
_cell_volume                     2306.4(11)
_computing_cell_refinement       'Express (Nonius B.V., 1994)'
_computing_data_collection       'Express (Nonius B.V., 1994)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_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      223(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9465
_diffrn_reflns_theta_full        74.48
_diffrn_reflns_theta_max         74.48
_diffrn_reflns_theta_min         4.38
_diffrn_standards_decay_%        0.6
_diffrn_standards_interval_count 250
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.683
_exptl_absorpt_correction_T_max  0.8498
_exptl_absorpt_correction_T_min  0.6784
_exptl_absorpt_correction_type   'empirical via \y scan data'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.244
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    'refined as riding atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4708
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0388
_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)+(0.0605P)²+0.6260P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                3474
_reflns_number_total             4708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210030b.txt
_cod_data_source_block           erk1551
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7012323
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 0.58030(13) 0.47785(13) 0.34220(8) 0.0310(3) Uani 1 1 d . . .
C2 C 0.69085(16) 0.50901(15) 0.37634(10) 0.0313(4) Uani 1 1 d . . .
N3 N 0.68426(14) 0.58196(13) 0.43404(9) 0.0362(3) Uani 1 1 d . . .
C4 C 0.56305(17) 0.60108(16) 0.43664(11) 0.0370(4) Uani 1 1 d . . .
C5 C 0.49740(17) 0.53570(15) 0.37814(10) 0.0338(4) Uani 1 1 d . . .
C6 C 0.5068(2) 0.67153(18) 0.48350(12) 0.0484(5) Uani 1 1 d . . .
H6 H 0.5510 0.7149 0.5231 0.058 Uiso 1 1 calc R . .
C7 C 0.3830(2) 0.6745(2) 0.46901(14) 0.0554(6) Uani 1 1 d . . .
H7 H 0.3420 0.7213 0.4996 0.066 Uiso 1 1 calc R . .
C8 C 0.3169(2) 0.6105(2) 0.41048(13) 0.0499(5) Uani 1 1 d . . .
H8 H 0.2325 0.6154 0.4024 0.060 Uiso 1 1 calc R . .
C9 C 0.37251(18) 0.53949(17) 0.36390(12) 0.0402(4) Uani 1 1 d . . .
H9 H 0.3279 0.4960 0.3245 0.048 Uiso 1 1 calc R . .
C10 C 0.7822(2) 0.6357(2) 0.48676(13) 0.0514(5) Uani 1 1 d . . .
H10A H 0.8454 0.5811 0.5026 0.077 Uiso 1 1 calc R . .
H10B H 0.7517 0.6635 0.5322 0.077 Uiso 1 1 calc R . .
H10C H 0.8143 0.6979 0.4604 0.077 Uiso 1 1 calc R . .
B B 0.58284(17) 0.38991(17) 0.27385(11) 0.0296(4) Uani 1 1 d . . .
C11 C 0.51708(15) 0.43900(15) 0.19083(10) 0.0304(4) Uani 1 1 d . . .
C12 C 0.45882(17) 0.37359(16) 0.13092(11) 0.0368(4) Uani 1 1 d . . .
F12 F 0.45822(12) 0.26023(10) 0.13747(7) 0.0499(3) Uani 1 1 d . . .
C13 C 0.39891(17) 0.41725(19) 0.06211(11) 0.0432(5) Uani 1 1 d . . .
F13 F 0.34309(13) 0.34886(13) 0.00708(7) 0.0634(4) Uani 1 1 d . . .
C14 C 0.39891(18) 0.5312(2) 0.05012(12) 0.0443(5) Uani 1 1 d . . .
F14 F 0.34003(12) 0.57575(14) -0.01585(8) 0.0633(4) Uani 1 1 d . . .
C15 C 0.46100(18) 0.59973(18) 0.10516(12) 0.0418(4) Uani 1 1 d . . .
F15 F 0.46314(13) 0.71145(11) 0.09365(8) 0.0598(4) Uani 1 1 d . . .
C16 C 0.51840(16) 0.55275(16) 0.17337(11) 0.0351(4) Uani 1 1 d . . .
F16 F 0.57783(11) 0.62550(9) 0.22493(7) 0.0483(3) Uani 1 1 d . . .
C21 C 0.52545(16) 0.27216(16) 0.30172(10) 0.0323(4) Uani 1 1 d . . .
C22 C 0.59257(17) 0.18783(16) 0.34244(11) 0.0369(4) Uani 1 1 d . . .
F22 F 0.71361(10) 0.19499(10) 0.35717(7) 0.0486(3) Uani 1 1 d . . .
C23 C 0.5438(2) 0.09340(18) 0.37213(12) 0.0460(5) Uani 1 1 d . . .
F23 F 0.61509(15) 0.01582(12) 0.41182(9) 0.0670(4) Uani 1 1 d . . .
C24 C 0.4212(2) 0.07952(19) 0.36078(14) 0.0529(6) Uani 1 1 d . . .
F24 F 0.37226(16) -0.01096(13) 0.38969(11) 0.0787(5) Uani 1 1 d . . .
C25 C 0.35015(19) 0.1599(2) 0.32022(14) 0.0486(5) Uani 1 1 d . . .
F25 F 0.22986(12) 0.14756(14) 0.30744(10) 0.0720(4) Uani 1 1 d . . .
C26 C 0.40195(17) 0.25308(17) 0.29209(12) 0.0391(4) Uani 1 1 d . . .
F26 F 0.32492(10) 0.32804(11) 0.25321(8) 0.0499(3) Uani 1 1 d . . .
C31 C 0.72792(15) 0.39133(15) 0.27713(10) 0.0311(4) Uani 1 1 d . . .
C32 C 0.79793(17) 0.34290(16) 0.22889(11) 0.0361(4) Uani 1 1 d . . .
F32 F 0.74812(11) 0.27612(10) 0.16999(7) 0.0474(3) Uani 1 1 d . . .
C33 C 0.92123(17) 0.35940(17) 0.23843(13) 0.0418(5) Uani 1 1 d . . .
F33 F 0.98811(11) 0.31193(12) 0.19040(9) 0.0586(4) Uani 1 1 d . . .
C34 C 0.97568(16) 0.42419(18) 0.29900(13) 0.0440(5) Uani 1 1 d . . .
F34 F 1.09561(11) 0.43834(13) 0.30995(10) 0.0649(4) Uani 1 1 d . . .
C35 C 0.90838(17) 0.47446(17) 0.34882(12) 0.0398(4) Uani 1 1 d . . .
F35 F 0.96755(11) 0.53609(12) 0.40741(8) 0.0576(4) Uani 1 1 d . . .
C36 C 0.78454(16) 0.46008(15) 0.33797(11) 0.0325(4) 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'
N N 0.0311 0.0180 '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'
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 107.76(15) . . ?
C2 N1 B 112.92(14) . . ?
C5 N1 B 139.32(15) . . ?
N3 C2 N1 110.79(16) . . ?
N3 C2 C36 137.18(16) . . ?
N1 C2 C36 111.90(15) . . ?
C2 N3 C4 107.47(15) . . ?
C2 N3 C10 128.94(17) . . ?
C4 N3 C10 123.59(17) . . ?
C6 C4 N3 131.06(19) . . ?
C6 C4 C5 121.79(19) . . ?
N3 C4 C5 107.13(16) . . ?
N1 C5 C9 132.01(18) . . ?
N1 C5 C4 106.83(16) . . ?
C9 C5 C4 121.12(17) . . ?
C7 C6 C4 116.6(2) . . ?
C6 C7 C8 122.0(2) . . ?
C9 C8 C7 121.6(2) . . ?
C8 C9 C5 116.9(2) . . ?
N1 B C31 95.90(13) . . ?
N1 B C11 111.95(15) . . ?
C31 B C11 110.00(15) . . ?
N1 B C21 106.39(14) . . ?
C31 B C21 115.92(15) . . ?
C11 B C21 114.99(14) . . ?
C12 C11 C16 113.66(17) . . ?
C12 C11 B 124.59(16) . . ?
C16 C11 B 121.72(16) . . ?
F12 C12 C11 120.24(17) . . ?
F12 C12 C13 116.02(17) . . ?
C11 C12 C13 123.74(19) . . ?
F13 C13 C14 120.11(19) . . ?
F13 C13 C12 120.4(2) . . ?
C14 C13 C12 119.44(19) . . ?
F14 C14 C15 119.8(2) . . ?
F14 C14 C13 120.6(2) . . ?
C15 C14 C13 119.59(18) . . ?
F15 C15 C14 120.20(19) . . ?
F15 C15 C16 120.76(19) . . ?
C14 C15 C16 119.02(19) . . ?
F16 C16 C15 115.69(17) . . ?
F16 C16 C11 119.97(16) . . ?
C15 C16 C11 124.34(18) . . ?
C22 C21 C26 113.53(17) . . ?
C22 C21 B 124.02(16) . . ?
C26 C21 B 122.23(17) . . ?
F22 C22 C21 120.45(17) . . ?
F22 C22 C23 115.32(18) . . ?
C21 C22 C23 124.22(19) . . ?
F23 C23 C24 119.93(19) . . ?
F23 C23 C22 120.6(2) . . ?
C24 C23 C22 119.5(2) . . ?
F24 C24 C25 120.8(2) . . ?
F24 C24 C23 120.3(2) . . ?
C25 C24 C23 118.91(19) . . ?
F25 C25 C24 120.1(2) . . ?
F25 C25 C26 120.0(2) . . ?
C24 C25 C26 119.9(2) . . ?
F26 C26 C25 115.78(18) . . ?
F26 C26 C21 120.28(17) . . ?
C25 C26 C21 123.9(2) . . ?
C32 C31 C36 118.12(16) . . ?
C32 C31 B 130.31(16) . . ?
C36 C31 B 111.46(15) . . ?
F32 C32 C31 120.39(16) . . ?
F32 C32 C33 117.63(17) . . ?
C31 C32 C33 121.98(18) . . ?
F33 C33 C34 119.51(18) . . ?
F33 C33 C32 121.1(2) . . ?
C34 C33 C32 119.35(18) . . ?
F34 C34 C33 119.8(2) . . ?
F34 C34 C35 119.7(2) . . ?
C33 C34 C35 120.44(17) . . ?
F35 C35 C34 117.40(17) . . ?
F35 C35 C36 122.53(19) . . ?
C34 C35 C36 120.07(18) . . ?
C35 C36 C31 120.00(17) . . ?
C35 C36 C2 132.27(18) . . ?
C31 C36 C2 107.64(15) . . ?
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 1.345(2) . ?
N1 C5 1.386(2) . ?
N1 B 1.590(2) . ?
C2 N3 1.340(2) . ?
C2 C36 1.456(3) . ?
N3 C4 1.391(3) . ?
N3 C10 1.467(2) . ?
C4 C6 1.390(3) . ?
C4 C5 1.399(3) . ?
C5 C9 1.390(3) . ?
C6 C7 1.377(3) . ?
C7 C8 1.393(3) . ?
C8 C9 1.387(3) . ?
B C31 1.625(3) . ?
B C11 1.629(3) . ?
B C21 1.646(3) . ?
C11 C12 1.383(2) . ?
C11 C16 1.386(3) . ?
C12 F12 1.351(2) . ?
C12 C13 1.384(3) . ?
C13 F13 1.338(2) . ?
C13 C14 1.369(3) . ?
C14 F14 1.344(2) . ?
C14 C15 1.366(3) . ?
C15 F15 1.343(2) . ?
C15 C16 1.381(3) . ?
C16 F16 1.348(2) . ?
C21 C22 1.383(3) . ?
C21 C26 1.393(3) . ?
C22 F22 1.349(2) . ?
C22 C23 1.385(3) . ?
C23 F23 1.342(3) . ?
C23 C24 1.373(3) . ?
C24 F24 1.342(2) . ?
C24 C25 1.370(3) . ?
C25 F25 1.346(2) . ?
C25 C26 1.377(3) . ?
C26 F26 1.350(2) . ?
C31 C32 1.367(3) . ?
C31 C36 1.411(2) . ?
C32 F32 1.349(2) . ?
C32 C33 1.386(3) . ?
C33 F33 1.336(2) . ?
C33 C34 1.372(3) . ?
C34 F34 1.344(2) . ?
C34 C35 1.376(3) . ?
C35 F35 1.347(2) . ?
C35 C36 1.388(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 1.6(2) . . . . ?
B N1 C2 N3 -179.27(15) . . . . ?
C5 N1 C2 C36 -174.94(15) . . . . ?
B N1 C2 C36 4.2(2) . . . . ?
N1 C2 N3 C4 -1.2(2) . . . . ?
C36 C2 N3 C4 174.1(2) . . . . ?
N1 C2 N3 C10 179.06(18) . . . . ?
C36 C2 N3 C10 -5.6(4) . . . . ?
C2 N3 C4 C6 -177.8(2) . . . . ?
C10 N3 C4 C6 2.0(3) . . . . ?
C2 N3 C4 C5 0.3(2) . . . . ?
C10 N3 C4 C5 -179.93(18) . . . . ?
C2 N1 C5 C9 176.6(2) . . . . ?
B N1 C5 C9 -2.1(4) . . . . ?
C2 N1 C5 C4 -1.4(2) . . . . ?
B N1 C5 C4 179.9(2) . . . . ?
C6 C4 C5 N1 178.94(18) . . . . ?
N3 C4 C5 N1 0.6(2) . . . . ?
C6 C4 C5 C9 0.7(3) . . . . ?
N3 C4 C5 C9 -177.62(17) . . . . ?
N3 C4 C6 C7 177.3(2) . . . . ?
C5 C4 C6 C7 -0.6(3) . . . . ?
C4 C6 C7 C8 0.0(4) . . . . ?
C6 C7 C8 C9 0.4(4) . . . . ?
C7 C8 C9 C5 -0.3(3) . . . . ?
N1 C5 C9 C8 -178.0(2) . . . . ?
C4 C5 C9 C8 -0.3(3) . . . . ?
C2 N1 B C31 -4.37(18) . . . . ?
C5 N1 B C31 174.3(2) . . . . ?
C2 N1 B C11 -118.72(16) . . . . ?
C5 N1 B C11 60.0(3) . . . . ?
C2 N1 B C21 114.88(16) . . . . ?
C5 N1 B C21 -66.4(3) . . . . ?
N1 B C11 C12 -150.18(17) . . . . ?
C31 B C11 C12 104.47(19) . . . . ?
C21 B C11 C12 -28.6(2) . . . . ?
N1 B C11 C16 31.9(2) . . . . ?
C31 B C11 C16 -73.5(2) . . . . ?
C21 B C11 C16 153.45(16) . . . . ?
C16 C11 C12 F12 175.05(16) . . . . ?
B C11 C12 F12 -3.0(3) . . . . ?
C16 C11 C12 C13 -4.9(3) . . . . ?
B C11 C12 C13 177.04(17) . . . . ?
F12 C12 C13 F13 1.0(3) . . . . ?
C11 C12 C13 F13 -179.07(18) . . . . ?
F12 C12 C13 C14 -177.86(18) . . . . ?
C11 C12 C13 C14 2.1(3) . . . . ?
F13 C13 C14 F14 2.0(3) . . . . ?
C12 C13 C14 F14 -179.12(18) . . . . ?
F13 C13 C14 C15 -176.89(18) . . . . ?
C12 C13 C14 C15 2.0(3) . . . . ?
F14 C14 C15 F15 0.2(3) . . . . ?
C13 C14 C15 F15 179.07(18) . . . . ?
F14 C14 C15 C16 178.37(18) . . . . ?
C13 C14 C15 C16 -2.7(3) . . . . ?
F15 C15 C16 F16 -1.8(3) . . . . ?
C14 C15 C16 F16 180.00(17) . . . . ?
F15 C15 C16 C11 177.73(18) . . . . ?
C14 C15 C16 C11 -0.5(3) . . . . ?
C12 C11 C16 F16 -176.40(16) . . . . ?
B C11 C16 F16 1.8(3) . . . . ?
C12 C11 C16 C15 4.1(3) . . . . ?
B C11 C16 C15 -177.76(17) . . . . ?
N1 B C21 C22 -90.3(2) . . . . ?
C31 B C21 C22 14.9(2) . . . . ?
C11 B C21 C22 145.12(17) . . . . ?
N1 B C21 C26 83.8(2) . . . . ?
C31 B C21 C26 -171.02(16) . . . . ?
C11 B C21 C26 -40.8(2) . . . . ?
C26 C21 C22 F22 -179.27(17) . . . . ?
B C21 C22 F22 -4.7(3) . . . . ?
C26 C21 C22 C23 -0.7(3) . . . . ?
B C21 C22 C23 173.86(18) . . . . ?
F22 C22 C23 F23 -0.6(3) . . . . ?
C21 C22 C23 F23 -179.24(18) . . . . ?
F22 C22 C23 C24 179.28(19) . . . . ?
C21 C22 C23 C24 0.7(3) . . . . ?
F23 C23 C24 F24 0.5(3) . . . . ?
C22 C23 C24 F24 -179.4(2) . . . . ?
F23 C23 C24 C25 179.9(2) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
F24 C24 C25 F25 -1.5(3) . . . . ?
C23 C24 C25 F25 179.1(2) . . . . ?
F24 C24 C25 C26 178.9(2) . . . . ?
C23 C24 C25 C26 -0.4(3) . . . . ?
F25 C25 C26 F26 0.8(3) . . . . ?
C24 C25 C26 F26 -179.68(19) . . . . ?
F25 C25 C26 C21 -179.21(19) . . . . ?
C24 C25 C26 C21 0.3(3) . . . . ?
C22 C21 C26 F26 -179.76(16) . . . . ?
B C21 C26 F26 5.6(3) . . . . ?
C22 C21 C26 C25 0.2(3) . . . . ?
B C21 C26 C25 -174.48(18) . . . . ?
N1 B C31 C32 -172.67(18) . . . . ?
C11 B C31 C32 -56.7(2) . . . . ?
C21 B C31 C32 75.9(2) . . . . ?
N1 B C31 C36 3.26(18) . . . . ?
C11 B C31 C36 119.21(16) . . . . ?
C21 B C31 C36 -108.19(17) . . . . ?
C36 C31 C32 F32 179.77(16) . . . . ?
B C31 C32 F32 -4.5(3) . . . . ?
C36 C31 C32 C33 0.2(3) . . . . ?
B C31 C32 C33 175.86(19) . . . . ?
F32 C32 C33 F33 0.8(3) . . . . ?
C31 C32 C33 F33 -179.57(18) . . . . ?
F32 C32 C33 C34 -178.18(17) . . . . ?
C31 C32 C33 C34 1.4(3) . . . . ?
F33 C33 C34 F34 -0.7(3) . . . . ?
C32 C33 C34 F34 178.29(18) . . . . ?
F33 C33 C34 C35 179.55(18) . . . . ?
C32 C33 C34 C35 -1.5(3) . . . . ?
F34 C34 C35 F35 -0.3(3) . . . . ?
C33 C34 C35 F35 179.44(18) . . . . ?
F34 C34 C35 C36 -179.88(18) . . . . ?
C33 C34 C35 C36 -0.1(3) . . . . ?
F35 C35 C36 C31 -177.79(17) . . . . ?
C34 C35 C36 C31 1.8(3) . . . . ?
F35 C35 C36 C2 6.2(3) . . . . ?
C34 C35 C36 C2 -174.23(19) . . . . ?
C32 C31 C36 C35 -1.8(3) . . . . ?
B C31 C36 C35 -178.24(17) . . . . ?
C32 C31 C36 C2 175.13(16) . . . . ?
B C31 C36 C2 -1.3(2) . . . . ?
N3 C2 C36 C35 -0.6(4) . . . . ?
N1 C2 C36 C35 174.65(19) . . . . ?
N3 C2 C36 C31 -177.0(2) . . . . ?
N1 C2 C36 C31 -1.7(2) . . . . ?
