#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179323 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/20/4322029.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_4322029
loop_
_publ_author_name
'Chin-Ti Chen'
'Sish-Yuan Liao'
'Kuan-Jiuh Lin'
'Chiung-Hsueh Chen'
'Tzu-Yao Jeremy Lin'
_publ_section_title
;
 Structural Effects on Molecular Dipoles and Solvatochromism of
 Nickel(diimine)(dithiolate) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2734
_journal_page_last               2741
_journal_paper_doi               10.1021/ic981125w
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C24 H30 F6 N2 Ni O3 S2'
_chemical_formula_weight         631.33
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                102.49(3)
_cell_angle_beta                 109.39(3)
_cell_angle_gamma                94.08(3)
_cell_formula_units_Z            2
_cell_length_a                   10.224(2)
_cell_length_b                   12.529(3)
_cell_length_c                   13.017(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1517.0(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3949
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.840
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_F_000             652
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.932
_refine_ls_goodness_of_fit_obs   1.119
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_restrained_S_obs      1.119
_refine_ls_R_factor_all          0.1473
_refine_ls_R_factor_obs          0.0871
_refine_ls_shift/esd_max         -3.749
_refine_ls_shift/esd_mean        0.191
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2410P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3064
_refine_ls_wR_factor_obs         0.2614
_reflns_number_observed          2086
_reflns_number_total             3949
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic981125w_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.2410P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.2410P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1517.0(6)
_cod_database_code               4322029
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ni1 Ni 0.24794(13) 0.02814(9) 0.01705(10) 0.0667(6) Uani 1 d . .
S1 S 0.2071(3) -0.0542(2) 0.1316(2) 0.0762(8) Uani 1 d . .
S2 S 0.2652(3) -0.1227(2) -0.0850(2) 0.0772(8) Uani 1 d . .
N2 N 0.2646(9) 0.1124(6) -0.0852(7) 0.071(2) Uani 1 d . .
N1 N 0.2528(8) 0.1709(6) 0.1069(7) 0.069(2) Uani 1 d . .
C1 C 0.2087(10) -0.1942(8) 0.0769(9) 0.070(3) Uani 1 d . .
C2 C 0.2327(10) -0.2231(7) -0.0163(8) 0.069(3) Uani 1 d . .
C3 C 0.2571(14) 0.2544(9) 0.0611(10) 0.091(3) Uani 1 d . .
C4 C 0.2605(14) 0.2158(9) -0.0535(10) 0.095(4) Uani 1 d . .
C5 C 0.2526(15) 0.3690(9) 0.1152(10) 0.099(4) Uani 1 d . .
H5A H 0.1984 0.3694 0.1639 0.950 Uiso 1 calc . .
H5B H 0.2071 0.4064 0.0581 0.950 Uiso 1 calc . .
C6 C 0.3992(21) 0.4292(11) 0.1834(14) 0.146(6) Uani 1 d . .
H6A H 0.3950 0.5038 0.2188 0.219 Uiso 1 calc . .
H6B H 0.4521 0.4299 0.1348 0.219 Uiso 1 calc . .
H6C H 0.4439 0.3922 0.2401 0.219 Uiso 1 calc . .
C7 C 0.2090(27) 0.2986(18) -0.1500(22) 0.201(13) Uani 1 d . .
H7A H 0.1675 0.2580 -0.2285 0.950 Uiso 1 calc . .
H7B H 0.1554 0.3554 -0.1304 0.950 Uiso 1 calc . .
C8 C 0.3404(27) 0.3294(17) -0.1146(15) 0.196(10) Uani 1 d . .
H8A H 0.3610 0.3826 -0.1524 0.294 Uiso 1 calc . .
H8B H 0.3860 0.2665 -0.1295 0.294 Uiso 1 calc . .
H8C H 0.3739 0.3624 -0.0349 0.294 Uiso 1 calc . .
C9 C 0.1882(17) -0.2671(10) 0.1480(13) 0.102(4) Uani 1 d . .
C10 C 0.2367(15) -0.3410(10) -0.0750(12) 0.100(4) Uani 1 d . .
C11 C 0.2518(12) 0.1940(7) 0.2172(10) 0.077(3) Uani 1 d . .
C12 C 0.3766(13) 0.2068(9) 0.3066(10) 0.092(3) Uani 1 d . .
H12 H 0.4611 0.2036 0.2945 0.950 Uiso 1 calc . .
C13 C 0.3734(18) 0.2250(11) 0.4177(12) 0.121(5) Uani 1 d . .
H13 H 0.4542 0.2303 0.4797 0.950 Uiso 1 calc . .
C14 C 0.2417(26) 0.2348(10) 0.4294(15) 0.122(6) Uani 1 d . .
C15 C 0.1241(16) 0.2240(12) 0.3439(15) 0.113(5) Uani 1 d . .
H15 H 0.0413 0.2340 0.3572 0.950 Uiso 1 calc . .
C17 C 0.2495(24) 0.2588(15) 0.5597(12) 0.174(8) Uani 1 d . .
H17A H 0.3449 0.2640 0.6085 0.950 Uiso 1 calc . .
H17B H 0.1923 0.1994 0.5680 0.950 Uiso 1 calc . .
H17C H 0.2157 0.3271 0.5793 0.950 Uiso 1 calc . .
C16 C 0.1217(13) 0.1977(9) 0.2330(10) 0.088(3) Uani 1 d . .
H16 H 0.0376 0.1833 0.1719 0.950 Uiso 1 calc . .
C18 C 0.2682(13) 0.0658(8) -0.1936(8) 0.074(3) Uani 1 d . .
C19 C 0.3945(12) 0.0641(9) -0.2095(9) 0.083(3) Uani 1 d . .
H19 H 0.4774 0.0941 -0.1489 0.950 Uiso 1 calc . .
C20 C 0.3998(14) 0.0174(10) -0.3164(10) 0.100(4) Uani 1 d . .
H20 H 0.4858 0.0157 -0.3261 0.950 Uiso 1 calc . .
C21 C 0.2782(15) -0.0252(10) -0.4053(10) 0.094(3) Uani 1 d . .
C22 C 0.1490(16) -0.0295(10) -0.3886(10) 0.102(4) Uani 1 d . .
H22 H 0.0671 -0.0638 -0.4486 0.950 Uiso 1 calc . .
C23 C 0.1419(13) 0.0172(10) -0.2830(10) 0.091(3) Uani 1 d . .
H23 H 0.0563 0.0160 -0.2723 0.950 Uiso 1 calc . .
C24 C 0.2795(18) -0.0730(13) -0.5256(10) 0.133(5) Uani 1 d . .
H24A H 0.1851 -0.0997 -0.5772 0.950 Uiso 1 calc . .
H24B H 0.3332 -0.1329 -0.5249 0.950 Uiso 1 calc . .
H24C H 0.3212 -0.0160 -0.5491 0.950 Uiso 1 calc . .
F4 F 0.2956(15) -0.3443(7) -0.1529(8) 0.188(5) Uani 1 d . .
F1 F 0.1097(11) -0.3643(6) 0.0898(8) 0.153(3) Uani 1 d . .
F2 F 0.3032(12) -0.2875(8) 0.2153(9) 0.165(4) Uani 1 d . .
F6 F 0.3027(10) -0.3991(6) -0.0097(7) 0.139(3) Uani 1 d . .
F5 F 0.1068(11) -0.3965(7) -0.1317(8) 0.167(4) Uani 1 d . .
F3 F 0.1209(10) -0.2248(6) 0.2153(7) 0.135(3) Uani 1 d . .
O1 O 0.2140(12) -0.3316(10) -0.4128(9) 0.140(4) Uiso 1 d . .
O2 O 0.3428(12) 0.5314(10) 0.4670(10) 0.149(4) Uiso 1 d . .
O3 O -0.0827(25) -0.5626(20) -0.3685(20) 0.242(11) Uiso 1 d . .
H1A H 0.1526(80) -0.4153(59) -0.4322(59) 0.032(21) Uiso 1 d . .
H1B H 0.2169(62) -0.4027(45) -0.3996(44) 0.000(13) Uiso 1 d . .
H2A H 0.2779(48) 0.5397(37) 0.3955(40) 0.000(11) Uiso 1 d . .
H2B H 0.1862(46) 0.5501(36) 0.4740(36) 0.000(11) Uiso 1 d . .
H3A H -0.0231(53) -0.6191(39) -0.3802(40) 0.000(12) Uiso 1 d . .
H3B H -0.0667(63) -0.5941(50) -0.3430(47) 0.000(13) Uiso 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N1 Ni1 N2 81.8(3) . . ?
N1 Ni1 S2 173.0(3) . . ?
N2 Ni1 S2 93.9(2) . . ?
N1 Ni1 S1 93.5(2) . . ?
N2 Ni1 S1 172.5(2) . . ?
S2 Ni1 S1 91.33(11) . . ?
C1 S1 Ni1 105.6(4) . . ?
C2 S2 Ni1 104.1(3) . . ?
C4 N2 C18 120.5(9) . . ?
C4 N2 Ni1 115.1(7) . . ?
C18 N2 Ni1 124.2(6) . . ?
C3 N1 C11 117.9(8) . . ?
C3 N1 Ni1 116.7(7) . . ?
C11 N1 Ni1 125.4(6) . . ?
C2 C1 C9 127.1(10) . . ?
C2 C1 S1 118.5(8) . . ?
C9 C1 S1 114.4(8) . . ?
C1 C2 C10 125.0(10) . . ?
C1 C2 S2 120.6(7) . . ?
C10 C2 S2 114.5(9) . . ?
N1 C3 C5 124.2(10) . . ?
N1 C3 C4 110.8(9) . . ?
C5 C3 C4 125.0(10) . . ?
N2 C4 C3 115.4(9) . . ?
N2 C4 C7 122.4(11) . . ?
C3 C4 C7 119.6(11) . . ?
C3 C5 C6 110.2(11) . . ?
C3 C5 H5A 110.0(11) . . ?
C6 C5 H5A 109.4(11) . . ?
C3 C5 H5B 109.8(10) . . ?
C6 C5 H5B 109.0(12) . . ?
H5A C5 H5B 108.4(13) . . ?
C5 C6 H6A 110.7(16) . . ?
C5 C6 H6B 110.8(14) . . ?
H6A C6 H6B 108.5(15) . . ?
C5 C6 H6C 110.4(14) . . ?
H6A C6 H6C 108.1(16) . . ?
H6B C6 H6C 108.2(17) . . ?
C8 C7 C4 81.6(23) . . ?
C8 C7 H7A 114.7(18) . . ?
C4 C7 H7A 113.6(19) . . ?
C8 C7 H7B 114.4(20) . . ?
C4 C7 H7B 113.3(18) . . ?
H7A C7 H7B 115.0(33) . . ?
C7 C8 H8A 108.4(21) . . ?
C7 C8 H8B 111.6(24) . . ?
H8A C8 H8B 107.7(25) . . ?
C7 C8 H8C 111.8(28) . . ?
H8A C8 H8C 107.7(21) . . ?
H8B C8 H8C 109.5(18) . . ?
F2 C9 F1 106.6(11) . . ?
F2 C9 F3 104.3(12) . . ?
F1 C9 F3 103.4(12) . . ?
F2 C9 C1 114.4(12) . . ?
F1 C9 C1 113.9(12) . . ?
F3 C9 C1 113.1(10) . . ?
F6 C10 F4 106.4(11) . . ?
F6 C10 F5 106.8(12) . . ?
F4 C10 F5 104.8(12) . . ?
F6 C10 C2 115.3(11) . . ?
F4 C10 C2 112.0(11) . . ?
F5 C10 C2 110.8(10) . . ?
C12 C11 N1 119.3(10) . . ?
C12 C11 C16 121.8(11) . . ?
N1 C11 C16 118.8(10) . . ?
C11 C12 C13 118.8(12) . . ?
C11 C12 H12 120.5(12) . . ?
C13 C12 H12 120.7(13) . . ?
C14 C13 C12 117.0(13) . . ?
C14 C13 H13 121.7(19) . . ?
C12 C13 H13 121.3(19) . . ?
C15 C14 C13 123.6(14) . . ?
C15 C14 C17 123.0(17) . . ?
C13 C14 C17 113.4(19) . . ?
C14 C15 C16 120.9(13) . . ?
C14 C15 H15 119.5(18) . . ?
C16 C15 H15 119.6(17) . . ?
C14 C17 H17A 109.4(17) . . ?
C14 C17 H17B 109.5(15) . . ?
H17A C17 H17B 109.6(16) . . ?
C14 C17 H17C 109.3(13) . . ?
H17A C17 H17C 109.3(17) . . ?
H17B C17 H17C 109.7(20) . . ?
C15 C16 C11 117.6(12) . . ?
C15 C16 H16 121.1(13) . . ?
C11 C16 H16 121.3(11) . . ?
C19 C18 C23 120.5(10) . . ?
C19 C18 N2 120.2(10) . . ?
C23 C18 N2 119.2(10) . . ?
C18 C19 C20 120.8(10) . . ?
C18 C19 H19 119.5(11) . . ?
C20 C19 H19 119.7(12) . . ?
C21 C20 C19 119.5(12) . . ?
C21 C20 H20 120.2(13) . . ?
C19 C20 H20 120.3(13) . . ?
C20 C21 C22 120.0(11) . . ?
C20 C21 C24 121.0(13) . . ?
C22 C21 C24 119.0(12) . . ?
C23 C22 C21 121.0(12) . . ?
C23 C22 H22 119.4(15) . . ?
C21 C22 H22 119.6(14) . . ?
C22 C23 C18 117.9(11) . . ?
C22 C23 H23 121.0(12) . . ?
C18 C23 H23 121.1(12) . . ?
C21 C24 H24A 109.3(14) . . ?
C21 C24 H24B 109.4(12) . . ?
H24A C24 H24B 108.9(14) . . ?
C21 C24 H24C 109.7(12) . . ?
H24A C24 H24C 109.5(14) . . ?
H24B C24 H24C 110.0(16) . . ?
H1A O1 H1B 34.9(42) . . ?
H3A O3 H3B 53.5(69) . . ?
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 N1 1.901(7) . ?
Ni1 N2 1.910(8) . ?
Ni1 S2 2.118(3) . ?
Ni1 S1 2.116(3) . ?
S1 C1 1.747(10) . ?
S2 C2 1.765(10) . ?
N2 C4 1.281(13) . ?
N2 C18 1.418(12) . ?
N1 C3 1.316(13) . ?
N1 C11 1.405(13) . ?
C1 C2 1.297(13) . ?
C1 C9 1.48(2) . ?
C2 C10 1.519(14) . ?
C3 C5 1.467(15) . ?
C3 C4 1.48(2) . ?
C4 C7 1.77(3) . ?
C5 C6 1.51(2) . ?
C5 H5A 0.967(13) . ?
C5 H5B 0.970(12) . ?
C6 H6A 0.966(14) . ?
C6 H6B 0.97(2) . ?
C6 H6C 0.97(2) . ?
C7 C8 1.27(3) . ?
C7 H7A 0.95(2) . ?
C7 H7B 0.95(2) . ?
C8 H8A 0.98(3) . ?
C8 H8B 0.96(2) . ?
C8 H8C 0.96(2) . ?
C9 F2 1.29(2) . ?
C9 F1 1.326(14) . ?
C9 F3 1.332(15) . ?
C10 F6 1.291(13) . ?
C10 F4 1.334(15) . ?
C10 F5 1.337(15) . ?
C11 C12 1.383(14) . ?
C11 C16 1.414(15) . ?
C12 C13 1.43(2) . ?
C12 H12 0.931(13) . ?
C13 C14 1.41(2) . ?
C13 H13 0.930(13) . ?
C14 C15 1.31(2) . ?
C14 C17 1.63(2) . ?
C15 C16 1.40(2) . ?
C15 H15 0.928(14) . ?
C17 H17A 0.96(2) . ?
C17 H17B 0.96(2) . ?
C17 H17C 0.96(2) . ?
C16 H16 0.931(12) . ?
C18 C19 1.375(14) . ?
C18 C23 1.406(15) . ?
C19 C20 1.41(2) . ?
C19 H19 0.930(11) . ?
C20 C21 1.36(2) . ?
C20 H20 0.927(14) . ?
C21 C22 1.41(2) . ?
C21 C24 1.56(2) . ?
C22 C23 1.40(2) . ?
C22 H22 0.932(13) . ?
C23 H23 0.932(12) . ?
C24 H24A 0.97(2) . ?
C24 H24B 0.96(2) . ?
C24 H24C 0.95(2) . ?
O1 H1A 1.12(7) . ?
O1 H1B 0.94(5) . ?
O2 H2A 0.98(4) . ?
O3 H3A 0.99(6) . ?
O3 H3B 0.57(7) . ?
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 Ni1 S1 C1 -175.7(4) . . . . ?
N2 Ni1 S1 C1 133.2(19) . . . . ?
S2 Ni1 S1 C1 -0.8(3) . . . . ?
N1 Ni1 S2 C2 134.8(21) . . . . ?
N2 Ni1 S2 C2 -173.5(4) . . . . ?
S1 Ni1 S2 C2 1.1(3) . . . . ?
N1 Ni1 N2 C4 -4.9(8) . . . . ?
S2 Ni1 N2 C4 -179.4(8) . . . . ?
S1 Ni1 N2 C4 46.8(24) . . . . ?
N1 Ni1 N2 C18 -179.2(9) . . . . ?
S2 Ni1 N2 C18 6.4(8) . . . . ?
S1 Ni1 N2 C18 -127.5(17) . . . . ?
N2 Ni1 N1 C3 3.3(8) . . . . ?
S2 Ni1 N1 C3 55.5(25) . . . . ?
S1 Ni1 N1 C3 -170.8(8) . . . . ?
N2 Ni1 N1 C11 -176.9(9) . . . . ?
S2 Ni1 N1 C11 -124.6(19) . . . . ?
S1 Ni1 N1 C11 9.0(8) . . . . ?
Ni1 S1 C1 C2 0.1(9) . . . . ?
Ni1 S1 C1 C9 177.4(8) . . . . ?
C9 C1 C2 C10 3.5(19) . . . . ?
S1 C1 C2 C10 -179.6(9) . . . . ?
C9 C1 C2 S2 -176.1(10) . . . . ?
S1 C1 C2 S2 0.8(12) . . . . ?
Ni1 S2 C2 C1 -1.3(9) . . . . ?
Ni1 S2 C2 C10 179.1(8) . . . . ?
C11 N1 C3 C5 -3.7(18) . . . . ?
Ni1 N1 C3 C5 176.1(10) . . . . ?
C11 N1 C3 C4 178.8(9) . . . . ?
Ni1 N1 C3 C4 -1.3(14) . . . . ?
C18 N2 C4 C3 -180.0(10) . . . . ?
Ni1 N2 C4 C3 5.5(15) . . . . ?
C18 N2 C4 C7 18.6(18) . . . . ?
Ni1 N2 C4 C7 -155.9(10) . . . . ?
N1 C3 C4 N2 -2.8(17) . . . . ?
C5 C3 C4 N2 179.8(12) . . . . ?
N1 C3 C4 C7 159.2(12) . . . . ?
C5 C3 C4 C7 -18.2(20) . . . . ?
N1 C3 C5 C6 90.3(15) . . . . ?
C4 C3 C5 C6 -92.7(15) . . . . ?
N2 C4 C7 C8 -102.7(16) . . . . ?
C3 C4 C7 C8 96.7(17) . . . . ?
C2 C1 C9 F2 81.8(16) . . . . ?
S1 C1 C9 F2 -95.2(12) . . . . ?
C2 C1 C9 F1 -41.3(18) . . . . ?
S1 C1 C9 F1 141.7(10) . . . . ?
C2 C1 C9 F3 -158.9(11) . . . . ?
S1 C1 C9 F3 24.1(15) . . . . ?
C1 C2 C10 F6 -43.1(18) . . . . ?
S2 C2 C10 F6 136.5(11) . . . . ?
C1 C2 C10 F4 -165.1(12) . . . . ?
S2 C2 C10 F4 14.5(15) . . . . ?
C1 C2 C10 F5 78.3(15) . . . . ?
S2 C2 C10 F5 -102.1(12) . . . . ?
C3 N1 C11 C12 -96.4(12) . . . . ?
Ni1 N1 C11 C12 83.8(11) . . . . ?
C3 N1 C11 C16 86.8(12) . . . . ?
Ni1 N1 C11 C16 -93.0(10) . . . . ?
N1 C11 C12 C13 -177.1(10) . . . . ?
C16 C11 C12 C13 -0.4(16) . . . . ?
C11 C12 C13 C14 -3.4(18) . . . . ?
C12 C13 C14 C15 2.5(21) . . . . ?
C12 C13 C14 C17 -178.4(11) . . . . ?
C13 C14 C15 C16 2.3(22) . . . . ?
C17 C14 C15 C16 -176.7(12) . . . . ?
C14 C15 C16 C11 -6.0(19) . . . . ?
C12 C11 C16 C15 5.1(16) . . . . ?
N1 C11 C16 C15 -178.2(10) . . . . ?
C4 N2 C18 C19 88.2(13) . . . . ?
Ni1 N2 C18 C19 -97.8(11) . . . . ?
C4 N2 C18 C23 -94.7(13) . . . . ?
Ni1 N2 C18 C23 79.2(11) . . . . ?
C23 C18 C19 C20 2.5(16) . . . . ?
N2 C18 C19 C20 179.5(9) . . . . ?
C18 C19 C20 C21 0.8(17) . . . . ?
C19 C20 C21 C22 -4.4(18) . . . . ?
C19 C20 C21 C24 177.4(11) . . . . ?
C20 C21 C22 C23 4.9(18) . . . . ?
C24 C21 C22 C23 -177.0(11) . . . . ?
C21 C22 C23 C18 -1.6(17) . . . . ?
C19 C18 C23 C22 -2.0(16) . . . . ?
N2 C18 C23 C22 -179.1(9) . . . . ?
