#------------------------------------------------------------------------------
#$Date: 2020-09-11 04:44:59 +0300 (Fri, 11 Sep 2020) $
#$Revision: 256329 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/90/1559048.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_1559048
loop_
_publ_author_name
'Luong, Lucy M. C.'
'Lowe, Christopher D.'
'Adams, Alexandria V.'
'Moshayedi, Venoos'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
_publ_section_title
;
 Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent
 Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03299A
_journal_year                    2020
_chemical_formula_moiety         'C32 H12 B F24, C14 H22 Au N2'
_chemical_formula_sum            'C46 H34 Au B F24 N2'
_chemical_formula_weight         1278.53
_chemical_melting_point          396.6(15)
_chemical_name_common            '[(C6H11NC)2Au]BArF24'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-13 deposited with the CCDC.	2020-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.129(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.708(3)
_cell_length_b                   9.1838(10)
_cell_length_c                   23.643(3)
_cell_measurement_reflns_used    18642
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.513
_cell_measurement_theta_min      2.0415
_cell_volume                     4698.0(10)
_computing_cell_refinement       'SAINT (8.34a) (Bruker, 2013)'
_computing_data_collection       'Apex2 (2013.10-2) (Bruker, 2013)'
_computing_data_reduction        'SAINT (8.34a) (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_unetI/netI     0.0161
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            37006
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.625
_diffrn_reflns_theta_min         1.882
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.264
_exptl_absorpt_correction_T_max  0.75582
_exptl_absorpt_correction_T_min  0.66028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,2016)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methanol'
_exptl_crystal_size_max          0.401
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.270
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         7232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0192
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0219P)²+5.7696P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0469
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6223
_reflns_number_total             7232
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03299a2.cif
_cod_data_source_block           ll105
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value '122-125 \%C' was changed
to '396.6(15)' -- it was converted from degrees Celsius (C) to
kelvins (K), the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        4698.0(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559048
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.354
_shelx_estimated_absorpt_t_max   0.473
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.500000 0.500000 0.500000 0.02090(3) Uani 1 2 d S . P . .
B1 B 0.500000 0.5531(2) 0.250000 0.0111(4) Uani 1 2 d S T P . .
C1 C 0.56225(7) 0.34258(18) 0.52911(8) 0.0225(3) Uani 1 1 d . . . . .
C2 C 0.64692(7) 0.14236(16) 0.56098(7) 0.0173(3) Uani 1 1 d . . . . .
H2 H 0.631697 0.058767 0.531492 0.021 Uiso 1 1 calc R U . . .
C3 C 0.66170(7) 0.08726(16) 0.62652(7) 0.0172(3) Uani 1 1 d . . . . .
H3A H 0.624250 0.044016 0.628386 0.021 Uiso 1 1 calc R U . . .
H3B H 0.675401 0.169317 0.656222 0.021 Uiso 1 1 calc R U . . .
C4 C 0.71294(8) -0.02748(16) 0.64380(7) 0.0190(3) Uani 1 1 d . . . . .
H4A H 0.723455 -0.061838 0.686613 0.023 Uiso 1 1 calc R U . . .
H4B H 0.697948 -0.112034 0.615599 0.023 Uiso 1 1 calc R U . . .
C5 C 0.77079(8) 0.03511(19) 0.63928(8) 0.0228(3) Uani 1 1 d . . . . .
H5A H 0.787914 0.114027 0.670131 0.027 Uiso 1 1 calc R U . . .
H5B H 0.802521 -0.042076 0.648970 0.027 Uiso 1 1 calc R U . . .
C6 C 0.75582(8) 0.0950(2) 0.57440(8) 0.0250(3) Uani 1 1 d . . . . .
H6A H 0.743369 0.013817 0.544235 0.030 Uiso 1 1 calc R U . . .
H6B H 0.793340 0.140405 0.573541 0.030 Uiso 1 1 calc R U . . .
C7 C 0.70367(7) 0.20832(18) 0.55513(8) 0.0221(3) Uani 1 1 d . . . . .
H7A H 0.717697 0.295319 0.582014 0.027 Uiso 1 1 calc R U . . .
H7B H 0.692738 0.238947 0.511768 0.027 Uiso 1 1 calc R U . . .
C8 C 0.55201(6) 0.65835(14) 0.30172(6) 0.0108(2) Uani 1 1 d . . . . .
C9 C 0.57557(6) 0.63319(15) 0.36593(6) 0.0126(2) Uani 1 1 d . . . . .
H9 H 0.560306 0.552906 0.380813 0.015 Uiso 1 1 calc R U . . .
C10 C 0.62069(6) 0.72247(15) 0.40851(6) 0.0129(2) Uani 1 1 d . . . . .
C11 C 0.64449(6) 0.84116(15) 0.38934(6) 0.0139(2) Uani 1 1 d . . . . .
H11 H 0.675523 0.901057 0.418393 0.017 Uiso 1 1 calc R U . . .
C12 C 0.62130(6) 0.86963(15) 0.32590(6) 0.0121(2) Uani 1 1 d . . . . .
C13 C 0.57608(6) 0.78088(14) 0.28345(6) 0.0115(2) Uani 1 1 d . . . . .
H13 H 0.560943 0.803930 0.240605 0.014 Uiso 1 1 calc R U . . .
C14 C 0.64084(7) 0.69284(17) 0.47635(6) 0.0171(3) Uani 1 1 d . . . . .
C15 C 0.64267(7) 1.00195(15) 0.30299(7) 0.0157(2) Uani 1 1 d . . . . .
C16 C 0.53210(6) 0.44962(15) 0.21449(6) 0.0108(2) Uani 1 1 d . . . . .
C17 C 0.58879(6) 0.48198(14) 0.21167(6) 0.0115(2) Uani 1 1 d . . . . .
H17 H 0.611970 0.563071 0.234308 0.014 Uiso 1 1 calc R U . . .
C18 C 0.61216(6) 0.39909(15) 0.17677(6) 0.0120(2) Uani 1 1 d . . . . .
C19 C 0.58002(6) 0.27886(15) 0.14293(6) 0.0131(2) Uani 1 1 d . . . . .
H19 H 0.595668 0.223040 0.118694 0.016 Uiso 1 1 calc R U . . .
C20 C 0.52421(6) 0.24336(14) 0.14584(6) 0.0123(2) Uani 1 1 d . . . . .
C21 C 0.50101(6) 0.32632(15) 0.18096(6) 0.0122(2) Uani 1 1 d . . . . .
H21 H 0.462952 0.298588 0.182259 0.015 Uiso 1 1 calc R U . . .
C22 C 0.67389(6) 0.43464(16) 0.17676(6) 0.0147(3) Uani 1 1 d . . . . .
C23 C 0.48955(7) 0.11031(16) 0.11267(7) 0.0159(3) Uani 1 1 d . . . . .
F1 F 0.60236(5) 0.75396(12) 0.49879(4) 0.0274(2) Uani 1 1 d . . . . .
F2 F 0.64208(5) 0.55000(12) 0.48916(4) 0.0280(2) Uani 1 1 d . . . . .
F3 F 0.69724(4) 0.74504(13) 0.51127(4) 0.0319(2) Uani 1 1 d . . . . .
F4 F 0.60196(5) 1.11155(11) 0.28966(6) 0.0329(2) Uani 1 1 d . . . . .
F5 F 0.69671(5) 1.05298(14) 0.34399(5) 0.0395(3) Uani 1 1 d . . . . .
F6 F 0.65018(6) 0.97719(11) 0.25075(5) 0.0310(2) Uani 1 1 d . . . . .
F7 F 0.69194(4) 0.57208(10) 0.19494(5) 0.02299(19) Uani 1 1 d . . . . .
F8 F 0.71921(4) 0.34835(10) 0.21542(4) 0.02197(19) Uani 1 1 d . . . . .
F9 F 0.67447(4) 0.41815(13) 0.12051(4) 0.0282(2) Uani 1 1 d . . . . .
F10 F 0.50132(5) -0.00621(9) 0.15018(5) 0.0268(2) Uani 1 1 d . . . . .
F11 F 0.50354(4) 0.07063(11) 0.06492(4) 0.0241(2) Uani 1 1 d . . . . .
F12 F 0.42775(4) 0.12923(10) 0.08865(4) 0.02125(18) Uani 1 1 d . . . . .
N1 N 0.59877(6) 0.25254(14) 0.54373(6) 0.0206(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'
Au Au -2.0133 8.8022 '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
C1 Au1 C1 180.0 . 5_666 ?
C16 B1 C16 109.48(16) 2_655 . ?
C16 B1 C8 108.78(6) 2_655 . ?
C16 B1 C8 110.81(6) . . ?
C16 B1 C8 110.81(6) 2_655 2_655 ?
C16 B1 C8 108.77(6) . 2_655 ?
C8 B1 C8 108.19(15) . 2_655 ?
N1 C1 Au1 177.04(15) . . ?
N1 C2 C3 110.07(12) . . ?
N1 C2 C7 108.50(12) . . ?
C3 C2 C7 112.12(12) . . ?
N1 C2 H2 108.7 . . ?
C3 C2 H2 108.7 . . ?
C7 C2 H2 108.7 . . ?
C2 C3 C4 109.04(12) . . ?
C2 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
C2 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
C5 C4 C3 111.01(12) . . ?
C5 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
C5 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C6 C5 C4 110.99(13) . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 C7 111.73(13) . . ?
C5 C6 H6A 109.3 . . ?
C7 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
C7 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C2 C7 C6 109.60(13) . . ?
C2 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
C2 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
C9 C8 C13 115.53(12) . . ?
C9 C8 B1 123.44(11) . . ?
C13 C8 B1 121.03(11) . . ?
C10 C9 C8 122.08(13) . . ?
C10 C9 H9 119.0 . . ?
C8 C9 H9 119.0 . . ?
C11 C10 C9 121.35(12) . . ?
C11 C10 C14 119.89(12) . . ?
C9 C10 C14 118.68(12) . . ?
C10 C11 C12 117.70(12) . . ?
C10 C11 H11 121.2 . . ?
C12 C11 H11 121.2 . . ?
C13 C12 C11 120.92(12) . . ?
C13 C12 C15 119.20(12) . . ?
C11 C12 C15 119.80(12) . . ?
C12 C13 C8 122.41(12) . . ?
C12 C13 H13 118.8 . . ?
C8 C13 H13 118.8 . . ?
F3 C14 F2 106.61(12) . . ?
F3 C14 F1 105.85(12) . . ?
F2 C14 F1 105.85(12) . . ?
F3 C14 C10 113.29(12) . . ?
F2 C14 C10 112.72(12) . . ?
F1 C14 C10 111.95(12) . . ?
F5 C15 F6 106.23(12) . . ?
F5 C15 F4 106.98(13) . . ?
F6 C15 F4 105.39(12) . . ?
F5 C15 C12 112.80(12) . . ?
F6 C15 C12 112.81(12) . . ?
F4 C15 C12 112.10(12) . . ?
C17 C16 C21 115.79(12) . . ?
C17 C16 B1 123.57(12) . . ?
C21 C16 B1 120.49(11) . . ?
C18 C17 C16 122.17(12) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 121.11(12) . . ?
C17 C18 C22 120.36(12) . . ?
C19 C18 C22 118.49(12) . . ?
C20 C19 C18 117.71(12) . . ?
C20 C19 H19 121.1 . . ?
C18 C19 H19 121.1 . . ?
C19 C20 C21 121.06(12) . . ?
C19 C20 C23 119.53(12) . . ?
C21 C20 C23 119.37(12) . . ?
C20 C21 C16 122.15(12) . . ?
C20 C21 H21 118.9 . . ?
C16 C21 H21 118.9 . . ?
F9 C22 F7 106.93(12) . . ?
F9 C22 F8 106.09(11) . . ?
F7 C22 F8 105.89(11) . . ?
F9 C22 C18 112.36(11) . . ?
F7 C22 C18 112.77(11) . . ?
F8 C22 C18 112.31(12) . . ?
F10 C23 F12 106.09(12) . . ?
F10 C23 F11 106.33(12) . . ?
F12 C23 F11 106.17(11) . . ?
F10 C23 C20 112.42(11) . . ?
F12 C23 C20 112.53(12) . . ?
F11 C23 C20 112.78(12) . . ?
C1 N1 C2 177.14(16) . . ?
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
Au1 C1 1.9777(16) . ?
Au1 C1 1.9777(16) 5_666 ?
B1 C16 1.6460(19) 2_655 ?
B1 C16 1.6460(19) . ?
B1 C8 1.6484(19) . ?
B1 C8 1.6484(18) 2_655 ?
C1 N1 1.144(2) . ?
C2 N1 1.4535(19) . ?
C2 C3 1.528(2) . ?
C2 C7 1.532(2) . ?
C2 H2 1.0000 . ?
C3 C4 1.532(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.531(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.529(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.535(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.4060(18) . ?
C8 C13 1.4071(19) . ?
C9 C10 1.3964(18) . ?
C9 H9 0.9500 . ?
C10 C11 1.3861(19) . ?
C10 C14 1.4994(19) . ?
C11 C12 1.3951(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.3932(18) . ?
C12 C15 1.5004(19) . ?
C13 H13 0.9500 . ?
C14 F3 1.3404(16) . ?
C14 F2 1.3439(19) . ?
C14 F1 1.3509(17) . ?
C15 F5 1.3361(17) . ?
C15 F6 1.3373(17) . ?
C15 F4 1.3399(17) . ?
C16 C17 1.4044(19) . ?
C16 C21 1.4059(19) . ?
C17 C18 1.3932(18) . ?
C17 H17 0.9500 . ?
C18 C19 1.3934(19) . ?
C18 C22 1.4997(19) . ?
C19 C20 1.3915(19) . ?
C19 H19 0.9500 . ?
C20 C21 1.3949(19) . ?
C20 C23 1.5022(19) . ?
C21 H21 0.9500 . ?
C22 F9 1.3442(16) . ?
C22 F7 1.3457(17) . ?
C22 F8 1.3472(17) . ?
C23 F10 1.3443(17) . ?
C23 F12 1.3488(17) . ?
C23 F11 1.3504(17) . ?
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 C2 C3 C4 -179.45(12) . . . . ?
C7 C2 C3 C4 -58.58(16) . . . . ?
C2 C3 C4 C5 57.70(16) . . . . ?
C3 C4 C5 C6 -56.80(18) . . . . ?
C4 C5 C6 C7 55.35(19) . . . . ?
N1 C2 C7 C6 178.84(13) . . . . ?
C3 C2 C7 C6 57.06(17) . . . . ?
C5 C6 C7 C2 -54.77(19) . . . . ?
C16 B1 C8 C9 15.72(17) 2_655 . . . ?
C16 B1 C8 C9 -104.68(13) . . . . ?
C8 B1 C8 C9 136.16(14) 2_655 . . . ?
C16 B1 C8 C13 -164.66(12) 2_655 . . . ?
C16 B1 C8 C13 74.94(16) . . . . ?
C8 B1 C8 C13 -44.22(10) 2_655 . . . ?
C13 C8 C9 C10 -1.17(19) . . . . ?
B1 C8 C9 C10 178.47(12) . . . . ?
C8 C9 C10 C11 0.1(2) . . . . ?
C8 C9 C10 C14 176.74(13) . . . . ?
C9 C10 C11 C12 0.7(2) . . . . ?
C14 C10 C11 C12 -175.88(13) . . . . ?
C10 C11 C12 C13 -0.4(2) . . . . ?
C10 C11 C12 C15 176.28(12) . . . . ?
C11 C12 C13 C8 -0.7(2) . . . . ?
C15 C12 C13 C8 -177.43(12) . . . . ?
C9 C8 C13 C12 1.46(19) . . . . ?
B1 C8 C13 C12 -178.19(12) . . . . ?
C11 C10 C14 F3 -26.33(19) . . . . ?
C9 C10 C14 F3 156.98(13) . . . . ?
C11 C10 C14 F2 -147.51(13) . . . . ?
C9 C10 C14 F2 35.81(18) . . . . ?
C11 C10 C14 F1 93.28(16) . . . . ?
C9 C10 C14 F1 -83.40(16) . . . . ?
C13 C12 C15 F5 -162.15(13) . . . . ?
C11 C12 C15 F5 21.09(19) . . . . ?
C13 C12 C15 F6 -41.77(18) . . . . ?
C11 C12 C15 F6 141.46(14) . . . . ?
C13 C12 C15 F4 77.02(16) . . . . ?
C11 C12 C15 F4 -99.75(15) . . . . ?
C16 B1 C16 C17 -141.30(14) 2_655 . . . ?
C8 B1 C16 C17 -21.32(17) . . . . ?
C8 B1 C16 C17 97.49(13) 2_655 . . . ?
C16 B1 C16 C21 43.24(10) 2_655 . . . ?
C8 B1 C16 C21 163.22(12) . . . . ?
C8 B1 C16 C21 -77.97(16) 2_655 . . . ?
C21 C16 C17 C18 1.35(19) . . . . ?
B1 C16 C17 C18 -174.31(11) . . . . ?
C16 C17 C18 C19 -0.2(2) . . . . ?
C16 C17 C18 C22 -177.97(12) . . . . ?
C17 C18 C19 C20 -0.82(19) . . . . ?
C22 C18 C19 C20 176.99(12) . . . . ?
C18 C19 C20 C21 0.64(19) . . . . ?
C18 C19 C20 C23 -176.97(12) . . . . ?
C19 C20 C21 C16 0.6(2) . . . . ?
C23 C20 C21 C16 178.18(12) . . . . ?
C17 C16 C21 C20 -1.53(19) . . . . ?
B1 C16 C21 C20 174.27(12) . . . . ?
C17 C18 C22 F9 -141.29(13) . . . . ?
C19 C18 C22 F9 40.89(18) . . . . ?
C17 C18 C22 F7 -20.35(18) . . . . ?
C19 C18 C22 F7 161.82(12) . . . . ?
C17 C18 C22 F8 99.20(15) . . . . ?
C19 C18 C22 F8 -78.63(16) . . . . ?
C19 C20 C23 F10 96.14(15) . . . . ?
C21 C20 C23 F10 -81.51(16) . . . . ?
C19 C20 C23 F12 -144.14(13) . . . . ?
C21 C20 C23 F12 38.21(17) . . . . ?
C19 C20 C23 F11 -24.06(18) . . . . ?
C21 C20 C23 F11 158.29(12) . . . . ?
