#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:24:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179749 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/45/7004514.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_7004514
loop_
_publ_author_name
'Fuller, Anna-Marie'
'Mountford, Andrew J.'
'Coles, Simon J.'
'Horton, Peter N.'
'Hughes, David L.'
'Hursthouse, Michael B.'
'Male, Louise'
'Lancaster, Simon J.'
_publ_section_title
;
 The synthesis, molecular structure and supramolecular architecture of
 complexes between the ammonia adduct of tris(pentafluorophenyl)boron
 and a series of mono and polydentate hydrogen-bond acceptors
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              6381
_journal_page_last               6392
_journal_paper_doi               10.1039/b808208a
_journal_year                    2008
_chemical_formula_moiety         'C18 H3 B F15 N, C2 H3 N'
_chemical_formula_structural     (C6F5)3B-NH3.MeCN
_chemical_formula_sum            'C20 H6 B F15 N2'
_chemical_formula_weight         570.08
_chemical_name_common            AnnaF4
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                101.070(7)
_cell_angle_beta                 100.590(7)
_cell_angle_gamma                103.133(6)
_cell_formula_units_Z            2
_cell_length_a                   9.2789(7)
_cell_length_b                   9.9867(6)
_cell_length_c                   11.7257(10)
_cell_measurement_temperature    140(1)
_cell_volume                     1008.64(14)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.29.9
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9
;
_computing_molecular_graphics    'ORTEP (Johnson, 1971)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      140(1)
_diffrn_detector_area_resol_mean 16.0050
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/CCD'
_diffrn_measurement_method       'Thin slice φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15631
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.76
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.29.9
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.59
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+0.0456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                4290
_reflns_number_total             5727
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b808208a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1008.64(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004514
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.48388(13) 0.74293(11) 0.06482(9) 0.0215(2) Uani 1 1 d . . .
B1 B 0.43508(15) 0.79109(13) 0.18856(11) 0.0188(2) Uani 1 1 d . . .
C11 C 0.27144(14) 0.82901(12) 0.15547(10) 0.0195(2) Uani 1 1 d . . .
C12 C 0.15351(15) 0.74161(12) 0.06116(11) 0.0237(2) Uani 1 1 d . . .
F12 F 0.17250(9) 0.62062(8) -0.00266(7) 0.03058(18) Uani 1 1 d . . .
C13 C 0.01396(15) 0.76675(14) 0.02669(12) 0.0290(3) Uani 1 1 d . . .
F13 F -0.09248(10) 0.67759(9) -0.06667(8) 0.0430(2) Uani 1 1 d . . .
C14 C -0.01530(15) 0.88436(15) 0.09042(13) 0.0308(3) Uani 1 1 d . . .
F14 F -0.15089(10) 0.91126(10) 0.05946(9) 0.0443(2) Uani 1 1 d . . .
C15 C 0.09496(15) 0.97336(13) 0.18618(12) 0.0278(3) Uani 1 1 d . . .
F15 F 0.06729(10) 1.08841(9) 0.24858(8) 0.0398(2) Uani 1 1 d . . .
C16 C 0.23417(14) 0.94473(12) 0.21756(11) 0.0220(2) Uani 1 1 d . . .
F16 F 0.33479(9) 1.03663(7) 0.31315(6) 0.02721(16) Uani 1 1 d . . .
C21 C 0.57690(14) 0.92938(12) 0.26247(10) 0.0192(2) Uani 1 1 d . . .
C22 C 0.60325(14) 1.04796(12) 0.21511(10) 0.0218(2) Uani 1 1 d . . .
F22 F 0.50604(9) 1.04815(7) 0.11305(6) 0.02752(17) Uani 1 1 d . . .
C23 C 0.72343(16) 1.16724(12) 0.26291(11) 0.0259(3) Uani 1 1 d . . .
F23 F 0.74085(10) 1.27602(8) 0.20905(7) 0.0379(2) Uani 1 1 d . . .
C24 C 0.82516(14) 1.17504(13) 0.36661(12) 0.0262(3) Uani 1 1 d . . .
F24 F 0.94295(9) 1.29093(8) 0.41546(8) 0.0371(2) Uani 1 1 d . . .
C25 C 0.80389(14) 1.06315(13) 0.41982(11) 0.0246(2) Uani 1 1 d . . .
F25 F 0.89809(9) 1.07275(8) 0.52419(7) 0.03327(18) Uani 1 1 d . . .
C26 C 0.68374(14) 0.94269(12) 0.36624(10) 0.0215(2) Uani 1 1 d . . .
F26 F 0.67715(9) 0.83681(8) 0.42216(7) 0.02886(17) Uani 1 1 d . . .
C31 C 0.40773(13) 0.65770(11) 0.25227(10) 0.0183(2) Uani 1 1 d . . .
C32 C 0.37341(14) 0.67700(12) 0.36360(10) 0.0200(2) Uani 1 1 d . . .
F32 F 0.36774(9) 0.80700(7) 0.41855(6) 0.02724(17) Uani 1 1 d . . .
C33 C 0.34340(14) 0.57127(13) 0.42301(10) 0.0217(2) Uani 1 1 d . . .
F33 F 0.31255(10) 0.59867(8) 0.53131(6) 0.03231(18) Uani 1 1 d . . .
C34 C 0.34562(14) 0.43588(12) 0.37129(11) 0.0216(2) Uani 1 1 d . . .
F34 F 0.31667(10) 0.33275(8) 0.42802(7) 0.03200(18) Uani 1 1 d . . .
C35 C 0.37837(14) 0.41010(12) 0.26129(11) 0.0216(2) Uani 1 1 d . . .
F35 F 0.38166(10) 0.27956(7) 0.20788(7) 0.03131(18) Uani 1 1 d . . .
C36 C 0.40684(13) 0.51926(12) 0.20445(10) 0.0195(2) Uani 1 1 d . . .
F36 F 0.43244(9) 0.48152(7) 0.09430(6) 0.02779(17) Uani 1 1 d . . .
N4 N 0.75287(15) 0.65740(14) 0.17706(12) 0.0392(3) Uani 1 1 d . . .
C41 C 0.84998(16) 0.62555(14) 0.22885(12) 0.0302(3) Uani 1 1 d . . .
C42 C 0.9779(2) 0.58649(19) 0.29172(18) 0.0449(4) Uani 1 1 d . . .
H1A H 0.4214(18) 0.6690(16) 0.0117(14) 0.028(4) Uiso 1 1 d . . .
H1B H 0.5726(18) 0.7173(15) 0.0799(13) 0.029(4) Uiso 1 1 d . . .
H1C H 0.5017(17) 0.8119(16) 0.0251(13) 0.026(4) Uiso 1 1 d . . .
H42A H 1.060(3) 0.667(2) 0.333(2) 0.071(6) Uiso 1 1 d . . .
H42B H 0.942(2) 0.545(2) 0.347(2) 0.064(6) Uiso 1 1 d . . .
H42C H 1.000(3) 0.516(3) 0.236(2) 0.096(8) Uiso 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
B1 N1 H1A 117.1(10) . . ?
B1 N1 H1B 110.0(9) . . ?
H1A N1 H1B 103.5(13) . . ?
B1 N1 H1C 114.1(9) . . ?
H1A N1 H1C 105.4(13) . . ?
H1B N1 H1C 105.7(13) . . ?
N1 B1 C21 102.66(9) . . ?
N1 B1 C31 109.38(9) . . ?
C21 B1 C31 115.66(9) . . ?
N1 B1 C11 107.85(9) . . ?
C21 B1 C11 113.47(9) . . ?
C31 B1 C11 107.47(9) . . ?
C12 C11 C16 113.55(11) . . ?
C12 C11 B1 121.15(10) . . ?
C16 C11 B1 125.27(10) . . ?
F12 C12 C13 115.87(11) . . ?
F12 C12 C11 119.37(11) . . ?
C13 C12 C11 124.75(12) . . ?
F13 C13 C14 120.33(12) . . ?
F13 C13 C12 120.69(12) . . ?
C14 C13 C12 118.97(12) . . ?
F14 C14 C15 120.37(12) . . ?
F14 C14 C13 120.37(13) . . ?
C15 C14 C13 119.25(12) . . ?
F15 C15 C14 119.56(11) . . ?
F15 C15 C16 120.44(12) . . ?
C14 C15 C16 119.99(12) . . ?
F16 C16 C15 115.99(11) . . ?
F16 C16 C11 120.58(11) . . ?
C15 C16 C11 123.43(12) . . ?
C26 C21 C22 113.41(11) . . ?
C26 C21 B1 127.95(10) . . ?
C22 C21 B1 118.54(10) . . ?
F22 C22 C23 115.99(10) . . ?
F22 C22 C21 119.14(10) . . ?
C23 C22 C21 124.86(11) . . ?
F23 C23 C24 120.35(11) . . ?
F23 C23 C22 120.48(12) . . ?
C24 C23 C22 119.16(11) . . ?
F24 C24 C23 120.25(11) . . ?
F24 C24 C25 120.71(12) . . ?
C23 C24 C25 119.04(11) . . ?
F25 C25 C24 119.45(11) . . ?
F25 C25 C26 120.70(11) . . ?
C24 C25 C26 119.84(11) . . ?
F26 C26 C21 121.15(11) . . ?
F26 C26 C25 115.23(11) . . ?
C21 C26 C25 123.62(11) . . ?
C36 C31 C32 113.24(10) . . ?
C36 C31 B1 127.09(10) . . ?
C32 C31 B1 119.58(9) . . ?
F32 C32 C33 116.87(10) . . ?
F32 C32 C31 118.86(10) . . ?
C33 C32 C31 124.27(10) . . ?
F33 C33 C32 120.76(10) . . ?
F33 C33 C34 119.46(10) . . ?
C32 C33 C34 119.78(10) . . ?
F34 C34 C35 121.06(10) . . ?
F34 C34 C33 120.26(11) . . ?
C35 C34 C33 118.68(10) . . ?
F35 C35 C34 120.48(10) . . ?
F35 C35 C36 119.90(10) . . ?
C34 C35 C36 119.61(10) . . ?
F36 C36 C35 114.94(10) . . ?
F36 C36 C31 120.64(10) . . ?
C35 C36 C31 124.41(10) . . ?
N4 C41 C42 177.65(17) . . ?
C41 C42 H42A 112.3(13) . . ?
C41 C42 H42B 105.1(14) . . ?
H42A C42 H42B 107.5(19) . . ?
C41 C42 H42C 107.3(16) . . ?
H42A C42 H42C 117(2) . . ?
H42B C42 H42C 107.4(19) . . ?
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 B1 1.6168(16) . ?
N1 H1A 0.875(16) . ?
N1 H1B 0.913(16) . ?
N1 H1C 0.904(15) . ?
B1 C21 1.6387(18) . ?
B1 C31 1.6417(16) . ?
B1 C11 1.6433(17) . ?
C11 C12 1.3903(17) . ?
C11 C16 1.3915(16) . ?
C12 F12 1.3598(14) . ?
C12 C13 1.3774(18) . ?
C13 F13 1.3399(15) . ?
C13 C14 1.3763(19) . ?
C14 F14 1.3454(14) . ?
C14 C15 1.371(2) . ?
C15 F15 1.3423(14) . ?
C15 C16 1.3854(17) . ?
C16 F16 1.3421(14) . ?
C21 C26 1.3841(16) . ?
C21 C22 1.3932(15) . ?
C22 F22 1.3604(14) . ?
C22 C23 1.3737(18) . ?
C23 F23 1.3514(13) . ?
C23 C24 1.3726(19) . ?
C24 F24 1.3426(14) . ?
C24 C25 1.3746(18) . ?
C25 F25 1.3396(14) . ?
C25 C26 1.3885(18) . ?
C26 F26 1.3429(13) . ?
C31 C36 1.3861(15) . ?
C31 C32 1.3881(16) . ?
C32 F32 1.3512(12) . ?
C32 C33 1.3777(16) . ?
C33 F33 1.3435(13) . ?
C33 C34 1.3779(16) . ?
C34 F34 1.3337(13) . ?
C34 C35 1.3691(17) . ?
C35 F35 1.3432(13) . ?
C35 C36 1.3840(16) . ?
C36 F36 1.3539(13) . ?
N4 C41 1.1336(18) . ?
C41 C42 1.451(2) . ?
C42 H42A 0.95(2) . ?
C42 H42B 0.91(2) . ?
C42 H42C 0.95(3) . ?
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
N1 H1A F12 0.875(16) 2.217(15) 2.7660(14) 120.5(12) .
N1 H1A F36 0.875(16) 2.281(15) 2.6464(13) 105.1(11) .
N1 H1B N4 0.913(16) 2.114(16) 2.9807(17) 158.1(13) .
N1 H1C F22 0.904(15) 2.336(16) 3.2196(12) 165.6(13) 2_675
N1 H1C F22 0.904(15) 2.375(15) 2.9434(13) 120.9(12) .
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
N1 B1 C11 C12 44.29(14) . . . . ?
C21 B1 C11 C12 157.30(10) . . . . ?
C31 B1 C11 C12 -73.54(13) . . . . ?
N1 B1 C11 C16 -137.58(11) . . . . ?
C21 B1 C11 C16 -24.58(15) . . . . ?
C31 B1 C11 C16 104.59(12) . . . . ?
C16 C11 C12 F12 -176.47(10) . . . . ?
B1 C11 C12 F12 1.86(16) . . . . ?
C16 C11 C12 C13 2.57(17) . . . . ?
B1 C11 C12 C13 -179.10(11) . . . . ?
F12 C12 C13 F13 -1.92(17) . . . . ?
C11 C12 C13 F13 179.00(11) . . . . ?
F12 C12 C13 C14 177.43(11) . . . . ?
C11 C12 C13 C14 -1.6(2) . . . . ?
F13 C13 C14 F14 -0.18(19) . . . . ?
C12 C13 C14 F14 -179.54(11) . . . . ?
F13 C13 C14 C15 179.46(12) . . . . ?
C12 C13 C14 C15 0.10(19) . . . . ?
F14 C14 C15 F15 -0.49(19) . . . . ?
C13 C14 C15 F15 179.86(11) . . . . ?
F14 C14 C15 C16 179.89(11) . . . . ?
C13 C14 C15 C16 0.25(19) . . . . ?
F15 C15 C16 F16 1.02(17) . . . . ?
C14 C15 C16 F16 -179.36(11) . . . . ?
F15 C15 C16 C11 -178.74(11) . . . . ?
C14 C15 C16 C11 0.88(19) . . . . ?
C12 C11 C16 F16 178.09(10) . . . . ?
B1 C11 C16 F16 -0.16(17) . . . . ?
C12 C11 C16 C15 -2.16(17) . . . . ?
B1 C11 C16 C15 179.59(11) . . . . ?
N1 B1 C21 C26 -112.97(12) . . . . ?
C31 B1 C21 C26 6.06(16) . . . . ?
C11 B1 C21 C26 130.92(12) . . . . ?
N1 B1 C21 C22 62.97(12) . . . . ?
C31 B1 C21 C22 -178.01(10) . . . . ?
C11 B1 C21 C22 -53.14(13) . . . . ?
C26 C21 C22 F22 -179.95(10) . . . . ?
B1 C21 C22 F22 3.54(16) . . . . ?
C26 C21 C22 C23 1.04(17) . . . . ?
B1 C21 C22 C23 -175.47(11) . . . . ?
F22 C22 C23 F23 -0.28(17) . . . . ?
C21 C22 C23 F23 178.76(11) . . . . ?
F22 C22 C23 C24 179.29(11) . . . . ?
C21 C22 C23 C24 -1.68(19) . . . . ?
F23 C23 C24 F24 0.01(19) . . . . ?
C22 C23 C24 F24 -179.56(11) . . . . ?
F23 C23 C24 C25 179.54(11) . . . . ?
C22 C23 C24 C25 -0.02(19) . . . . ?
F24 C24 C25 F25 2.89(18) . . . . ?
C23 C24 C25 F25 -176.64(11) . . . . ?
F24 C24 C25 C26 -178.28(11) . . . . ?
C23 C24 C25 C26 2.18(18) . . . . ?
C22 C21 C26 F26 -178.55(10) . . . . ?
B1 C21 C26 F26 -2.44(18) . . . . ?
C22 C21 C26 C25 1.27(17) . . . . ?
B1 C21 C26 C25 177.38(11) . . . . ?
F25 C25 C26 F26 -4.27(16) . . . . ?
C24 C25 C26 F26 176.91(11) . . . . ?
F25 C25 C26 C21 175.90(10) . . . . ?
C24 C25 C26 C21 -2.91(19) . . . . ?
N1 B1 C31 C36 -7.40(16) . . . . ?
C21 B1 C31 C36 -122.66(12) . . . . ?
C11 B1 C31 C36 109.43(12) . . . . ?
N1 B1 C31 C32 176.28(10) . . . . ?
C21 B1 C31 C32 61.03(14) . . . . ?
C11 B1 C31 C32 -66.88(13) . . . . ?
C36 C31 C32 F32 -178.71(10) . . . . ?
B1 C31 C32 F32 -1.91(16) . . . . ?
C36 C31 C32 C33 0.93(17) . . . . ?
B1 C31 C32 C33 177.73(11) . . . . ?
F32 C32 C33 F33 -1.03(17) . . . . ?
C31 C32 C33 F33 179.32(11) . . . . ?
F32 C32 C33 C34 179.26(10) . . . . ?
C31 C32 C33 C34 -0.39(19) . . . . ?
F33 C33 C34 F34 0.31(17) . . . . ?
C32 C33 C34 F34 -179.98(11) . . . . ?
F33 C33 C34 C35 -179.52(11) . . . . ?
C32 C33 C34 C35 0.19(18) . . . . ?
F34 C34 C35 F35 0.17(18) . . . . ?
C33 C34 C35 F35 180.00(11) . . . . ?
F34 C34 C35 C36 179.55(11) . . . . ?
C33 C34 C35 C36 -0.62(18) . . . . ?
F35 C35 C36 F36 1.73(16) . . . . ?
C34 C35 C36 F36 -177.66(11) . . . . ?
F35 C35 C36 C31 -179.31(11) . . . . ?
C34 C35 C36 C31 1.30(19) . . . . ?
C32 C31 C36 F36 177.51(10) . . . . ?
B1 C31 C36 F36 1.00(18) . . . . ?
C32 C31 C36 C35 -1.39(17) . . . . ?
B1 C31 C36 C35 -177.90(11) . . . . ?
