#------------------------------------------------------------------------------
#$Date: 2020-10-07 04:31:07 +0300 (Wed, 07 Oct 2020) $
#$Revision: 258209 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/92/1559284.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_1559284
loop_
_publ_author_name
'Kuntze-Fechner, Maximilian'
'Holthausen, Max C C.'
'Marder, Todd B.'
'Braunschweig, Holger'
'Krummenacher, Ivo'
'Radius, Udo'
'Tendera, Lukas'
'Verplancke, Hendrik'
'Diefenbach, Martin'
_publ_section_title
;
 Coligand Role in the NHC Nickel catalyzed C--F Bond Activation:
 Investigations on the Insertion of bis(NHC) Nickel into the C--F Bond of
 Hexafluorobenzene 
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC04237D
_journal_year                    2020
_chemical_formula_moiety         'C48 H48 F5 N4 Ni'
_chemical_formula_sum            'C48 H48 F5 N4 Ni'
_chemical_formula_weight         834.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.933(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.3579(3)
_cell_length_b                   13.3131(2)
_cell_length_c                   19.0795(3)
_cell_measurement_reflns_used    16952
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      77.3600
_cell_measurement_theta_min      4.1000
_cell_volume                     4239.65(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25553
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.702
_diffrn_reflns_theta_min         4.103
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.159
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_description       block
_exptl_crystal_F_000             1748
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.088
_refine_diff_density_max         1.409
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4419
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0400
_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)+(0.0523P)²+5.7440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1096
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4147
_reflns_number_total             4419
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc04237d2.cif
_cod_data_source_block           Compound_11
_cod_original_cell_volume        4239.65(12)
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               1559284
_shelx_shelxl_version_number     2018/1
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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
Ni1 Ni 0.750000 0.28719(3) 0.500000 0.01853(12) Uani 1 2 d S T P . .
N1 N 0.64500(8) 0.31077(10) 0.59858(7) 0.0225(3) Uani 1 1 d . . . . .
N2 N 0.60243(8) 0.19226(10) 0.52212(7) 0.0229(3) Uani 1 1 d . . . . .
F1 F 0.88011(6) 0.44771(7) 0.58303(5) 0.0291(2) Uani 1 1 d . . . . .
F2 F 0.87822(7) 0.64922(9) 0.58393(7) 0.0458(3) Uani 1 1 d . . . . .
F3 F 0.750000 0.75161(12) 0.500000 0.0590(6) Uani 1 2 d S T P . .
C1 C 0.66306(9) 0.26112(12) 0.54220(8) 0.0207(3) Uani 1 1 d . . . . .
C2 C 0.57554(10) 0.27379(14) 0.61213(10) 0.0292(4) Uani 1 1 d . . . . .
H2 H 0.552101 0.296304 0.647614 0.035 Uiso 1 1 calc R U . . .
C3 C 0.54882(10) 0.19938(14) 0.56415(10) 0.0299(4) Uani 1 1 d . . . . .
H3 H 0.503359 0.160297 0.559899 0.036 Uiso 1 1 calc R U . . .
C4 C 0.69118(9) 0.39167(12) 0.63949(8) 0.0225(3) Uani 1 1 d . . . . .
C5 C 0.76829(9) 0.37209(12) 0.68404(8) 0.0234(3) Uani 1 1 d . . . . .
C6 C 0.81042(10) 0.45186(13) 0.72393(9) 0.0265(3) Uani 1 1 d . . . . .
H6 H 0.861546 0.440293 0.754318 0.032 Uiso 1 1 calc R U . . .
C7 C 0.77878(11) 0.54802(13) 0.71993(9) 0.0289(4) Uani 1 1 d . . . . .
C8 C 0.70208(10) 0.56449(13) 0.67426(9) 0.0283(3) Uani 1 1 d . . . . .
H8 H 0.680498 0.628835 0.670834 0.034 Uiso 1 1 calc R U . . .
C9 C 0.65697(10) 0.48745(13) 0.63371(9) 0.0254(3) Uani 1 1 d . . . . .
C10 C 0.80601(10) 0.26977(13) 0.68701(9) 0.0282(3) Uani 1 1 d . . . . .
H10A H 0.820096 0.257594 0.642493 0.042 Uiso 1 1 calc R U . . .
H10B H 0.768654 0.219568 0.693065 0.042 Uiso 1 1 calc R U . . .
H10C H 0.853321 0.266927 0.727367 0.042 Uiso 1 1 calc R U . . .
C11 C 0.82632(12) 0.63369(15) 0.76249(11) 0.0410(5) Uani 1 1 d . . . . .
H11A H 0.842689 0.678293 0.729733 0.061 Uiso 1 1 calc R U . . .
H11B H 0.872826 0.607687 0.797499 0.061 Uiso 1 1 calc R U . . .
H11C H 0.793706 0.669629 0.787344 0.061 Uiso 1 1 calc R U . . .
C12 C 0.57491(10) 0.50828(15) 0.58344(10) 0.0332(4) Uani 1 1 d . . . . .
H12A H 0.570783 0.578107 0.570373 0.050 Uiso 1 1 calc R U . . .
H12B H 0.534893 0.491866 0.607716 0.050 Uiso 1 1 calc R U . . .
H12C H 0.566847 0.468130 0.540228 0.050 Uiso 1 1 calc R U . . .
C13 C 0.59635(9) 0.11679(12) 0.46660(9) 0.0230(3) Uani 1 1 d . . . . .
C14 C 0.63123(10) 0.02336(13) 0.48768(10) 0.0292(4) Uani 1 1 d . . . . .
C15 C 0.62397(11) -0.04950(13) 0.43353(11) 0.0330(4) Uani 1 1 d . . . . .
H15 H 0.646686 -0.112485 0.446258 0.040 Uiso 1 1 calc R U . . .
C16 C 0.58376(11) -0.03031(13) 0.36131(11) 0.0326(4) Uani 1 1 d . . . . .
C17 C 0.54912(11) 0.06336(13) 0.34300(10) 0.0294(4) Uani 1 1 d . . . . .
H17 H 0.521905 0.076493 0.294666 0.035 Uiso 1 1 calc R U . . .
C18 C 0.55395(10) 0.13854(12) 0.39510(9) 0.0250(3) Uani 1 1 d . . . . .
C19 C 0.67477(14) 0.00163(17) 0.56615(11) 0.0429(5) Uani 1 1 d . . . . .
H19A H 0.695328 -0.065701 0.570233 0.064 Uiso 1 1 calc R U . . .
H19B H 0.638384 0.008666 0.595720 0.064 Uiso 1 1 calc R U . . .
H19C H 0.718319 0.048093 0.582453 0.064 Uiso 1 1 calc R U . . .
C20 C 0.57717(15) -0.11043(15) 0.30387(13) 0.0467(5) Uani 1 1 d . . . . .
H20A H 0.534605 -0.093592 0.261505 0.070 Uiso 1 1 calc R U . . .
H20B H 0.565995 -0.173999 0.322723 0.070 Uiso 1 1 calc R U . . .
H20C H 0.626734 -0.114603 0.290881 0.070 Uiso 1 1 calc R U . . .
C21 C 0.51345(11) 0.23838(13) 0.37526(10) 0.0317(4) Uani 1 1 d . . . . .
H21A H 0.495592 0.244647 0.323173 0.048 Uiso 1 1 calc R U . . .
H21B H 0.550615 0.291344 0.394987 0.048 Uiso 1 1 calc R U . . .
H21C H 0.468271 0.242946 0.394953 0.048 Uiso 1 1 calc R U . . .
C22 C 0.750000 0.43661(17) 0.500000 0.0224(4) Uani 1 2 d S T P . .
C23 C 0.81298(9) 0.49396(13) 0.54053(9) 0.0249(3) Uani 1 1 d . . . . .
C24 C 0.81473(10) 0.59757(14) 0.54210(10) 0.0318(4) Uani 1 1 d . . . . .
C25 C 0.750000 0.64983(18) 0.500000 0.0364(6) Uani 1 2 d S T P . .
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'
F F 0.0727 0.0534 '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'
Ni Ni -3.0029 0.5091 '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 Ni1 C1 159.24(9) 2_656 . ?
C1 Ni1 C22 100.38(5) 2_656 . ?
C1 Ni1 C22 100.38(5) . . ?
C1 N1 C2 111.84(13) . . ?
C1 N1 C4 125.01(13) . . ?
C2 N1 C4 123.15(13) . . ?
C1 N2 C3 112.23(13) . . ?
C1 N2 C13 124.58(13) . . ?
C3 N2 C13 123.10(13) . . ?
N2 C1 N1 102.64(12) . . ?
N2 C1 Ni1 129.34(11) . . ?
N1 C1 Ni1 127.98(11) . . ?
C3 C2 N1 106.82(14) . . ?
C3 C2 H2 126.6 . . ?
N1 C2 H2 126.6 . . ?
C2 C3 N2 106.47(14) . . ?
C2 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
C9 C4 C5 122.20(15) . . ?
C9 C4 N1 118.60(14) . . ?
C5 C4 N1 119.20(14) . . ?
C6 C5 C4 117.48(15) . . ?
C6 C5 C10 120.80(15) . . ?
C4 C5 C10 121.68(15) . . ?
C7 C6 C5 122.26(15) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C6 C7 C8 118.39(16) . . ?
C6 C7 C11 121.25(16) . . ?
C8 C7 C11 120.35(17) . . ?
C9 C8 C7 121.83(16) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C4 117.83(15) . . ?
C8 C9 C12 120.51(16) . . ?
C4 C9 C12 121.63(15) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 122.67(15) . . ?
C18 C13 N2 119.18(14) . . ?
C14 C13 N2 118.11(15) . . ?
C13 C14 C15 117.55(16) . . ?
C13 C14 C19 121.15(16) . . ?
C15 C14 C19 121.30(17) . . ?
C16 C15 C14 121.69(16) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 118.77(16) . . ?
C15 C16 C20 120.52(18) . . ?
C17 C16 C20 120.71(19) . . ?
C16 C17 C18 121.85(17) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C17 117.46(15) . . ?
C13 C18 C21 121.06(15) . . ?
C17 C18 C21 121.46(16) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C23 113.0(2) 2_656 . ?
C23 C22 Ni1 123.52(10) 2_656 . ?
C23 C22 Ni1 123.52(10) . . ?
F1 C23 C24 115.24(14) . . ?
F1 C23 C22 119.77(15) . . ?
C24 C23 C22 124.99(16) . . ?
F2 C24 C25 119.20(17) . . ?
F2 C24 C23 121.92(16) . . ?
C25 C24 C23 118.87(17) . . ?
F3 C25 C24 120.35(12) . . ?
F3 C25 C24 120.35(11) . 2_656 ?
C24 C25 C24 119.3(2) . 2_656 ?
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
Ni1 C1 1.9269(15) 2_656 ?
Ni1 C1 1.9269(15) . ?
Ni1 C22 1.989(2) . ?
N1 C1 1.3703(19) . ?
N1 C2 1.391(2) . ?
N1 C4 1.438(2) . ?
N2 C1 1.369(2) . ?
N2 C3 1.388(2) . ?
N2 C13 1.443(2) . ?
F1 C23 1.3695(18) . ?
F2 C24 1.357(2) . ?
F3 C25 1.355(3) . ?
C2 C3 1.342(2) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C9 1.398(2) . ?
C4 C5 1.399(2) . ?
C5 C6 1.392(2) . ?
C5 C10 1.506(2) . ?
C6 C7 1.387(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.394(2) . ?
C7 C11 1.508(2) . ?
C8 C9 1.390(2) . ?
C8 H8 0.9300 . ?
C9 C12 1.508(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.391(2) . ?
C13 C14 1.393(2) . ?
C14 C15 1.397(3) . ?
C14 C19 1.509(3) . ?
C15 C16 1.387(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.387(3) . ?
C16 C20 1.511(2) . ?
C17 C18 1.397(2) . ?
C17 H17 0.9300 . ?
C18 C21 1.503(2) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.383(2) 2_656 ?
C22 C23 1.383(2) . ?
C23 C24 1.380(2) . ?
C24 C25 1.377(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
C3 N2 C1 N1 0.30(18) . . . . ?
C13 N2 C1 N1 -176.47(14) . . . . ?
C3 N2 C1 Ni1 -177.28(13) . . . . ?
C13 N2 C1 Ni1 6.0(2) . . . . ?
C2 N1 C1 N2 -0.31(18) . . . . ?
C4 N1 C1 N2 179.84(14) . . . . ?
C2 N1 C1 Ni1 177.31(12) . . . . ?
C4 N1 C1 Ni1 -2.5(2) . . . . ?
C1 N1 C2 C3 0.2(2) . . . . ?
C4 N1 C2 C3 -179.93(15) . . . . ?
N1 C2 C3 N2 0.0(2) . . . . ?
C1 N2 C3 C2 -0.2(2) . . . . ?
C13 N2 C3 C2 176.65(15) . . . . ?
C1 N1 C4 C9 113.53(17) . . . . ?
C2 N1 C4 C9 -66.3(2) . . . . ?
C1 N1 C4 C5 -67.0(2) . . . . ?
C2 N1 C4 C5 113.20(18) . . . . ?
C9 C4 C5 C6 0.8(2) . . . . ?
N1 C4 C5 C6 -178.68(13) . . . . ?
C9 C4 C5 C10 -176.97(15) . . . . ?
N1 C4 C5 C10 3.5(2) . . . . ?
C4 C5 C6 C7 -0.7(2) . . . . ?
C10 C5 C6 C7 177.08(16) . . . . ?
C5 C6 C7 C8 0.0(3) . . . . ?
C5 C6 C7 C11 -178.69(16) . . . . ?
C6 C7 C8 C9 0.6(3) . . . . ?
C11 C7 C8 C9 179.34(17) . . . . ?
C7 C8 C9 C4 -0.5(2) . . . . ?
C7 C8 C9 C12 -178.55(16) . . . . ?
C5 C4 C9 C8 -0.2(2) . . . . ?
N1 C4 C9 C8 179.27(14) . . . . ?
C5 C4 C9 C12 177.81(15) . . . . ?
N1 C4 C9 C12 -2.7(2) . . . . ?
C1 N2 C13 C18 -91.39(19) . . . . ?
C3 N2 C13 C18 92.2(2) . . . . ?
C1 N2 C13 C14 90.78(19) . . . . ?
C3 N2 C13 C14 -85.7(2) . . . . ?
C18 C13 C14 C15 1.4(2) . . . . ?
N2 C13 C14 C15 179.15(14) . . . . ?
C18 C13 C14 C19 -178.25(17) . . . . ?
N2 C13 C14 C19 -0.5(2) . . . . ?
C13 C14 C15 C16 0.1(3) . . . . ?
C19 C14 C15 C16 179.73(17) . . . . ?
C14 C15 C16 C17 -0.9(3) . . . . ?
C14 C15 C16 C20 179.73(17) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C20 C16 C17 C18 179.65(17) . . . . ?
C14 C13 C18 C17 -2.0(2) . . . . ?
N2 C13 C18 C17 -179.71(14) . . . . ?
C14 C13 C18 C21 176.68(15) . . . . ?
N2 C13 C18 C21 -1.0(2) . . . . ?
C16 C17 C18 C13 1.1(2) . . . . ?
C16 C17 C18 C21 -177.53(16) . . . . ?
C23 C22 C23 F1 -179.41(16) 2_656 . . . ?
Ni1 C22 C23 F1 0.59(16) . . . . ?
C23 C22 C23 C24 0.39(13) 2_656 . . . ?
Ni1 C22 C23 C24 -179.61(13) . . . . ?
F1 C23 C24 F2 -1.1(2) . . . . ?
C22 C23 C24 F2 179.14(14) . . . . ?
F1 C23 C24 C25 179.04(12) . . . . ?
C22 C23 C24 C25 -0.8(3) . . . . ?
F2 C24 C25 F3 0.45(19) . . . . ?
C23 C24 C25 F3 -179.65(12) . . . . ?
F2 C24 C25 C24 -179.55(19) . . . 2_656 ?
C23 C24 C25 C24 0.36(12) . . . 2_656 ?
