#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019905.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_7019905
loop_
_publ_author_name
'Chernichenko, Konstantin'
'Nieger, Martin'
'Leskelä, Markku'
'Repo, Timo'
_publ_section_title
;
 Hydrogen activation by 2-boryl-N,N-dialkylanilines: a revision of
 Piers'ansa-aminoborane.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9029
_journal_page_last               9032
_journal_paper_doi               10.1039/c2dt30926b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C27 H24 B F10 N, 0.5(C6 D6)'
_chemical_formula_sum            'C30 H24 B D3 F10 N'
_chemical_formula_weight         605.35
_chemical_name_common
;
bis(perfluorophenyl)(2-(2,2,6,6-tetramethylpiperidin-1-ium-
1yl)phenyl)-hydrobarate
;
_chemical_name_systematic
;
bis(perfluorophenyl)(2-(2,2,6,6-tetramethylpiperidin-1-ium-1yl)phenyl)-
hydrobarate
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.39(1)
_cell_angle_beta                 98.29(1)
_cell_angle_gamma                106.57(1)
_cell_formula_units_Z            2
_cell_length_a                   10.944(1)
_cell_length_b                   11.974(1)
_cell_length_c                   12.513(1)
_cell_measurement_reflns_used    173
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_volume                     1320.4(3)
_computing_cell_refinement       EVALCCD
_computing_data_collection       Collect
_computing_data_reduction        EVALCCd
_computing_molecular_graphics    XP
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker-Nonis KappaCCD'
_diffrn_measurement_method       'rotation in phi and omega, 2 deg.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20736
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.137
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         6029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0436
_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)+(0.0480P)²+0.7147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1008
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                4637
_reflns_number_total             6029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30926b.txt
_cod_data_source_block           les084_CCDC-875801
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1320.4(2)
_cod_database_code               7019905
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
B1 B 0.29467(17) 0.57139(18) 0.78501(17) 0.0183(3) Uani 1 1 d .
H1 H 0.3503(18) 0.5209(18) 0.7219(17) 0.022 Uiso 1 1 d .
C1 C 0.40023(15) 0.68498(15) 0.92700(14) 0.0173(3) Uani 1 1 d .
C2 C 0.35944(16) 0.73129(16) 1.03444(15) 0.0196(3) Uani 1 1 d .
H2 H 0.2659 0.6967 1.0234 0.023 Uiso 1 1 calc R
C3 C 0.44803(17) 0.82447(17) 1.15535(15) 0.0221(3) Uani 1 1 d .
H3 H 0.4155 0.8516 1.2258 0.027 Uiso 1 1 calc R
C4 C 0.58397(17) 0.87872(18) 1.17469(16) 0.0261(4) Uani 1 1 d .
H4 H 0.6455 0.9445 1.2582 0.031 Uiso 1 1 calc R
C5 C 0.62953(16) 0.83710(17) 1.07284(16) 0.0240(3) Uani 1 1 d .
H5 H 0.7230 0.8741 1.0847 0.029 Uiso 1 1 calc R
C6 C 0.53855(15) 0.74083(16) 0.95246(14) 0.0180(3) Uani 1 1 d .
N7 N 0.58867(13) 0.68774(13) 0.84392(12) 0.0169(3) Uani 1 1 d .
H7 H 0.5117(19) 0.6248(19) 0.7808(18) 0.020 Uiso 1 1 d .
C8 C 0.66830(16) 0.60020(17) 0.84892(16) 0.0213(3) Uani 1 1 d .
C9 C 0.81724(16) 0.69045(19) 0.91399(18) 0.0274(4) Uani 1 1 d .
H9A H 0.8333 0.7516 1.0057 0.033 Uiso 1 1 calc R
H9B H 0.8674 0.6315 0.9059 0.033 Uiso 1 1 calc R
C10 C 0.87242(17) 0.7769(2) 0.86133(19) 0.0311(4) Uani 1 1 d .
H10A H 0.8631 0.7168 0.7711 0.037 Uiso 1 1 calc R
H10B H 0.9694 0.8343 0.9092 0.037 Uiso 1 1 calc R
C11 C 0.79790(17) 0.86811(18) 0.87114(18) 0.0284(4) Uani 1 1 d .
H11A H 0.8356 0.9231 0.8350 0.034 Uiso 1 1 calc R
H11B H 0.8140 0.9327 0.9622 0.034 Uiso 1 1 calc R
C12 C 0.64736(17) 0.79093(17) 0.80362(16) 0.0227(3) Uani 1 1 d .
C13 C 0.57771(19) 0.88926(19) 0.83691(19) 0.0303(4) Uani 1 1 d .
H13A H 0.4805 0.8375 0.7929 0.045 Uiso 1 1 calc R
H13B H 0.6126 0.9540 0.8104 0.045 Uiso 1 1 calc R
H13C H 0.5949 0.9400 0.9290 0.045 Uiso 1 1 calc R
C14 C 0.6130(2) 0.7117(2) 0.65985(17) 0.0317(4) Uani 1 1 d .
H14A H 0.5150 0.6628 0.6199 0.048 Uiso 1 1 calc R
H14B H 0.6551 0.6455 0.6345 0.048 Uiso 1 1 calc R
H14C H 0.6468 0.7758 0.6324 0.048 Uiso 1 1 calc R
C15 C 0.61660(18) 0.53445(19) 0.92037(18) 0.0279(4) Uani 1 1 d .
H15A H 0.5203 0.4758 0.8767 0.042 Uiso 1 1 calc R
H15B H 0.6300 0.6061 1.0071 0.042 Uiso 1 1 calc R
H15C H 0.6659 0.4788 0.9237 0.042 Uiso 1 1 calc R
C16 C 0.63861(18) 0.48567(18) 0.71402(17) 0.0289(4) Uani 1 1 d .
H16A H 0.5414 0.4299 0.6754 0.043 Uiso 1 1 calc R
H16B H 0.6861 0.4279 0.7151 0.043 Uiso 1 1 calc R
H16C H 0.6691 0.5250 0.6643 0.043 Uiso 1 1 calc R
C17 C 0.18254(16) 0.44503(17) 0.78000(15) 0.0215(3) Uani 1 1 d .
C18 C 0.07095(16) 0.45127(18) 0.81650(16) 0.0246(4) Uani 1 1 d .
F18 F 0.05124(9) 0.56771(11) 0.86125(9) 0.0285(2) Uani 1 1 d .
C19 C -0.02551(18) 0.3447(2) 0.80986(18) 0.0337(4) Uani 1 1 d .
F19 F -0.13187(11) 0.35910(15) 0.84632(12) 0.0485(3) Uani 1 1 d .
C20 C -0.01368(19) 0.2224(2) 0.7640(2) 0.0396(5) Uani 1 1 d .
F20 F -0.10587(13) 0.11731(15) 0.75786(15) 0.0620(4) Uani 1 1 d .
C21 C 0.0943(2) 0.20937(19) 0.7257(2) 0.0370(5) Uani 1 1 d .
F21 F 0.10679(13) 0.08976(12) 0.67912(14) 0.0573(4) Uani 1 1 d .
C22 C 0.18906(17) 0.31943(18) 0.73446(17) 0.0279(4) Uani 1 1 d .
F22 F 0.29188(11) 0.29744(11) 0.69413(11) 0.0384(3) Uani 1 1 d .
C23 C 0.22345(15) 0.63328(16) 0.71403(15) 0.0184(3) Uani 1 1 d .
C24 C 0.19327(15) 0.57355(17) 0.58446(15) 0.0209(3) Uani 1 1 d .
F24 F 0.21774(10) 0.46209(10) 0.51623(9) 0.0282(2) Uani 1 1 d .
C25 C 0.13711(16) 0.61862(18) 0.51553(15) 0.0236(3) Uani 1 1 d .
F25 F 0.11219(11) 0.55521(12) 0.38997(9) 0.0346(3) Uani 1 1 d .
C26 C 0.10519(16) 0.72860(18) 0.57617(16) 0.0237(4) Uani 1 1 d .
F26 F 0.04999(11) 0.77414(11) 0.51136(10) 0.0333(3) Uani 1 1 d .
C27 C 0.13104(15) 0.79129(16) 0.70425(16) 0.0214(3) Uani 1 1 d .
F27 F 0.09835(10) 0.89779(10) 0.76438(9) 0.0275(2) Uani 1 1 d .
C28 C 0.18952(15) 0.74401(16) 0.76979(15) 0.0201(3) Uani 1 1 d .
F28 F 0.21280(10) 0.81376(10) 0.89536(9) 0.0255(2) Uani 1 1 d .
C1B C 0.4251(3) 0.0719(3) 0.4981(2) 0.0556(7) Uani 1 1 d .
D1B D 0.3728(3) 0.1229(3) 0.4974(2) 0.067 Uiso 1 1 d R
C2B C 0.5558(3) 0.1195(2) 0.5056(2) 0.0518(6) Uani 1 1 d .
D2B D 0.5950(3) 0.2033(2) 0.5090(2) 0.062 Uiso 1 1 d R
C3B C 0.6313(2) 0.0477(3) 0.5082(2) 0.0508(6) Uani 1 1 d .
D3B D 0.7235(2) 0.0817(3) 0.5145(2) 0.061 Uiso 1 1 d R
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'
D D 0.0000 0.0000 '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
C1 B1 C17 112.62(13) . .
C1 B1 C23 114.82(13) . .
C17 B1 C23 110.89(12) . .
C1 B1 H1 109.0(9) . .
C17 B1 H1 103.7(9) . .
C23 B1 H1 104.9(9) . .
C6 C1 C2 114.38(14) . .
C6 C1 B1 123.11(13) . .
C2 C1 B1 122.47(14) . .
C3 C2 C1 123.03(15) . .
C3 C2 H2 118.5 . .
C1 C2 H2 118.5 . .
C2 C3 C4 120.06(15) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 119.37(15) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 119.40(15) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C1 123.71(14) . .
C5 C6 N7 119.34(14) . .
C1 C6 N7 116.88(13) . .
C6 N7 C12 114.98(12) . .
C6 N7 C8 113.38(12) . .
C12 N7 C8 117.15(12) . .
C6 N7 H7 101.0(12) . .
C12 N7 H7 104.7(12) . .
C8 N7 H7 102.8(12) . .
C15 C8 C9 110.45(14) . .
C15 C8 C16 107.38(14) . .
C9 C8 C16 112.06(14) . .
C15 C8 N7 108.88(12) . .
C9 C8 N7 109.88(13) . .
C16 C8 N7 108.10(13) . .
C10 C9 C8 113.95(14) . .
C10 C9 H9A 108.8 . .
C8 C9 H9A 108.8 . .
C10 C9 H9B 108.8 . .
C8 C9 H9B 108.8 . .
H9A C9 H9B 107.7 . .
C9 C10 C11 110.46(14) . .
C9 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
C9 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
C10 C11 C12 114.11(15) . .
C10 C11 H11A 108.7 . .
C12 C11 H11A 108.7 . .
C10 C11 H11B 108.7 . .
C12 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
C13 C12 C11 110.65(14) . .
C13 C12 C14 107.14(14) . .
C11 C12 C14 112.06(15) . .
C13 C12 N7 108.63(13) . .
C11 C12 N7 109.90(13) . .
C14 C12 N7 108.34(13) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C8 C15 H15A 109.5 . .
C8 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C8 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C8 C16 H16A 109.5 . .
C8 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C8 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C22 C17 C18 113.65(16) . .
C22 C17 B1 122.32(15) . .
C18 C17 B1 124.00(15) . .
F18 C18 C19 115.73(16) . .
F18 C18 C17 119.81(15) . .
C19 C18 C17 124.46(17) . .
F19 C19 C20 120.04(17) . .
F19 C19 C18 120.62(19) . .
C20 C19 C18 119.33(18) . .
F20 C20 C19 120.4(2) . .
F20 C20 C21 120.5(2) . .
C19 C20 C21 119.08(17) . .
F21 C21 C20 119.95(18) . .
F21 C21 C22 120.44(19) . .
C20 C21 C22 119.61(18) . .
F22 C22 C17 120.45(16) . .
F22 C22 C21 115.68(16) . .
C17 C22 C21 123.87(18) . .
C28 C23 C24 113.14(14) . .
C28 C23 B1 127.21(14) . .
C24 C23 B1 119.64(14) . .
F24 C24 C25 115.20(14) . .
F24 C24 C23 120.03(14) . .
C25 C24 C23 124.76(15) . .
F25 C25 C26 119.81(15) . .
F25 C25 C24 120.85(15) . .
C26 C25 C24 119.33(15) . .
F26 C26 C25 120.56(15) . .
F26 C26 C27 120.68(15) . .
C25 C26 C27 118.76(15) . .
F27 C27 C26 119.30(14) . .
F27 C27 C28 120.79(15) . .
C26 C27 C28 119.91(15) . .
F28 C28 C27 115.38(14) . .
F28 C28 C23 120.54(14) . .
C27 C28 C23 124.08(15) . .
D1B C1B C3B 119.93(16) . 2_656
D1B C1B C2B 119.93(15) . .
C3B C1B C2B 120.1(2) 2_656 .
D2B C2B C1B 119.95(15) . .
D2B C2B C3B 119.95(15) . .
C1B C2B C3B 120.1(2) . .
D3B C3B C1B 120.12(16) . 2_656
D3B C3B C2B 120.12(15) . .
C1B C3B C2B 119.8(2) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 C1 1.622(2) .
B1 C17 1.622(2) .
B1 C23 1.637(2) .
B1 H1 1.127(18) .
C1 C6 1.388(2) .
C1 C2 1.394(2) .
C2 C3 1.371(2) .
C2 H2 0.9500 .
C3 C4 1.376(2) .
C3 H3 0.9500 .
C4 C5 1.364(2) .
C4 H4 0.9500 .
C5 C6 1.380(2) .
C5 H5 0.9500 .
C6 N7 1.4727(19) .
N7 C12 1.552(2) .
N7 C8 1.5582(19) .
N7 H7 0.894(19) .
C8 C15 1.509(2) .
C8 C9 1.513(2) .
C8 C16 1.514(2) .
C9 C10 1.502(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.512(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.515(2) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.514(2) .
C12 C14 1.520(2) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.370(2) .
C17 C18 1.374(2) .
C18 F18 1.339(2) .
C18 C19 1.363(3) .
C19 F19 1.337(2) .
C19 C20 1.359(3) .
C20 F20 1.331(2) .
C20 C21 1.360(3) .
C21 F21 1.333(2) .
C21 C22 1.371(3) .
C22 F22 1.342(2) .
C23 C28 1.374(2) .
C23 C24 1.376(2) .
C24 F24 1.3428(18) .
C24 C25 1.370(2) .
C25 F25 1.3342(19) .
C25 C26 1.361(2) .
C26 F26 1.3317(18) .
C26 C27 1.361(2) .
C27 F27 1.3324(18) .
C27 C28 1.373(2) .
C28 F28 1.3368(18) .
C1B D1B 0.9500 .
C1B C3B 1.347(4) 2_656
C1B C2B 1.352(4) .
C2B D2B 0.9500 .
C2B C3B 1.359(4) .
C3B D3B 0.9500 .
C3B C1B 1.347(4) 2_656
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
N7 H7 H1 0.894(19) 1.65(3) 2.490(18) 154.0(19) .
C2 H2 F18 0.95 2.39 3.1824(19) 141.1 .
C2 H2 F19 0.95 2.53 3.259(2) 133.9 2_567
C5 H5 F27 0.95 2.45 3.163(2) 131.9 2_677
C9 H9B F18 0.99 2.40 3.3008(19) 151.2 1_655
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_4
C17 B1 C1 C6 134.39(15) . .
C23 B1 C1 C6 -97.41(17) . .
C17 B1 C1 C2 -43.42(19) . .
C23 B1 C1 C2 84.78(18) . .
C6 C1 C2 C3 0.2(2) . .
B1 C1 C2 C3 178.16(14) . .
C1 C2 C3 C4 1.2(2) . .
C2 C3 C4 C5 -1.1(2) . .
C3 C4 C5 C6 -0.4(3) . .
C4 C5 C6 C1 1.9(3) . .
C4 C5 C6 N7 -175.10(15) . .
C2 C1 C6 C5 -1.7(2) . .
B1 C1 C6 C5 -179.72(15) . .
C2 C1 C6 N7 175.32(13) . .
B1 C1 C6 N7 -2.7(2) . .
C5 C6 N7 C12 -71.76(18) . .
C1 C6 N7 C12 111.04(15) . .
C5 C6 N7 C8 66.81(18) . .
C1 C6 N7 C8 -110.39(15) . .
C6 N7 C8 C15 28.24(18) . .
C12 N7 C8 C15 165.87(14) . .
C6 N7 C8 C9 -92.83(16) . .
C12 N7 C8 C9 44.79(18) . .
C6 N7 C8 C16 144.60(13) . .
C12 N7 C8 C16 -77.78(17) . .
C15 C8 C9 C10 -170.96(15) . .
C16 C8 C9 C10 69.36(19) . .
N7 C8 C9 C10 -50.83(19) . .
C8 C9 C10 C11 58.2(2) . .
C9 C10 C11 C12 -57.9(2) . .
C10 C11 C12 C13 170.14(15) . .
C10 C11 C12 C14 -70.35(19) . .
C10 C11 C12 N7 50.18(19) . .
C6 N7 C12 C13 -28.70(18) . .
C8 N7 C12 C13 -165.66(14) . .
C6 N7 C12 C11 92.48(16) . .
C8 N7 C12 C11 -44.47(18) . .
C6 N7 C12 C14 -144.78(14) . .
C8 N7 C12 C14 78.27(17) . .
C1 B1 C17 C22 -102.95(17) . .
C23 B1 C17 C22 126.82(16) . .
C1 B1 C17 C18 79.16(19) . .
C23 B1 C17 C18 -51.1(2) . .
C22 C17 C18 F18 -179.12(14) . .
B1 C17 C18 F18 -1.1(2) . .
C22 C17 C18 C19 0.3(2) . .
B1 C17 C18 C19 178.39(15) . .
F18 C18 C19 F19 0.1(2) . .
C17 C18 C19 F19 -179.35(16) . .
F18 C18 C19 C20 179.21(15) . .
C17 C18 C19 C20 -0.3(3) . .
F19 C19 C20 F20 -1.6(3) . .
C18 C19 C20 F20 179.30(16) . .
F19 C19 C20 C21 179.06(17) . .
C18 C19 C20 C21 0.0(3) . .
F20 C20 C21 F21 1.5(3) . .
C19 C20 C21 F21 -179.22(17) . .
F20 C20 C21 C22 -179.11(17) . .
C19 C20 C21 C22 0.2(3) . .
C18 C17 C22 F22 179.43(15) . .
B1 C17 C22 F22 1.3(2) . .
C18 C17 C22 C21 -0.1(3) . .
B1 C17 C22 C21 -178.22(16) . .
F21 C21 C22 F22 -0.3(3) . .
C20 C21 C22 F22 -179.72(16) . .
F21 C21 C22 C17 179.30(16) . .
C20 C21 C22 C17 -0.1(3) . .
C1 B1 C23 C28 -33.3(2) . .
C17 B1 C23 C28 95.74(19) . .
C1 B1 C23 C24 145.71(15) . .
C17 B1 C23 C24 -85.22(18) . .
C28 C23 C24 F24 -178.44(13) . .
B1 C23 C24 F24 2.4(2) . .
C28 C23 C24 C25 1.0(2) . .
B1 C23 C24 C25 -178.18(15) . .
F24 C24 C25 F25 -1.2(2) . .
C23 C24 C25 F25 179.39(15) . .
F24 C24 C25 C26 178.12(14) . .
C23 C24 C25 C26 -1.3(3) . .
F25 C25 C26 F26 -0.4(2) . .
C24 C25 C26 F26 -179.71(14) . .
F25 C25 C26 C27 179.73(15) . .
C24 C25 C26 C27 0.4(2) . .
F26 C26 C27 F27 1.2(2) . .
C25 C26 C27 F27 -179.00(14) . .
F26 C26 C27 C28 -179.20(14) . .
C25 C26 C27 C28 0.6(2) . .
F27 C27 C28 F28 -1.4(2) . .
C26 C27 C28 F28 178.95(14) . .
F27 C27 C28 C23 178.64(14) . .
C26 C27 C28 C23 -1.0(2) . .
C24 C23 C28 F28 -179.76(14) . .
B1 C23 C28 F28 -0.7(2) . .
C24 C23 C28 C27 0.2(2) . .
B1 C23 C28 C27 179.28(15) . .
D1B C1B C2B D2B -0.78(16) . .
C3B C1B C2B D2B 179.22(15) 2_656 .
D1B C1B C2B C3B 179.22(15) . .
C3B C1B C2B C3B -0.8(4) 2_656 .
D2B C2B C3B D3B 0.78(15) . .
C1B C2B C3B D3B -179.22(16) . .
D2B C2B C3B C1B -179.22(15) . 2_656
C1B C2B C3B C1B 0.8(4) . 2_656
