#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/06/2220681.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2220681
loop_
_publ_author_name
'Yin, Jing-Zhou'
'Liu, Guang-Xiang'
_publ_section_title
;
 Dichloridobis(phenyl 2-pyridyl ketone oxime)nickel(II) acetone solvate
;
_journal_coeditor_code           AT2700
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m155
_journal_paper_doi               10.1107/S1600536808043961
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ni Cl2 (C12 H10 N2 O)2] , C3 H6 O'
_chemical_formula_moiety         'C24 H20 Cl2 N4 Ni O2 , C3 H6 O'
_chemical_formula_sum            'C27 H26 Cl2 N4 Ni O3'
_chemical_formula_weight         584.13
_chemical_name_systematic
;
Dichloridobis(phenyl 2-pyridyl ketone oxime)nickel(II) acetone solvate
;
_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           SHELXL97
_cell_angle_alpha                105.4390(10)
_cell_angle_beta                 92.232(2)
_cell_angle_gamma                108.183(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0367(11)
_cell_length_b                   12.9142(16)
_cell_length_c                   13.0664(16)
_cell_measurement_reflns_used    3432
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.39
_cell_volume                     1384.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6839
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.929
_exptl_absorpt_correction_T_max  0.8656
_exptl_absorpt_correction_T_min  0.8217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'dark cyan'
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.258
_refine_diff_density_min         -0.390
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4761
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0324
_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)+(0.0472P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                4002
_reflns_number_total             4761
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            at2700.cif
_cod_data_source_block           I
_cod_database_code               2220681
_cod_database_fobs_code          2220681
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.34978(3) 0.11803(2) 0.295182(19) 0.03252(11) Uani d . 1 . .
Cl Cl1 0.43421(6) 0.11649(4) 0.47059(4) 0.03838(15) Uani d . 1 . .
Cl Cl2 0.61388(7) 0.19661(5) 0.25662(5) 0.04710(16) Uani d . 1 . .
O O1 0.3728(2) -0.11019(13) 0.29824(12) 0.0508(4) Uani d . 1 . .
H H1 0.4028 -0.0694 0.3602 0.076 Uiso calc R 1 . .
O O2 0.45576(19) 0.36884(13) 0.31744(15) 0.0519(4) Uani d . 1 . .
H H2 0.5345 0.3509 0.3069 0.078 Uiso calc R 1 . .
O O3 0.8381(3) 0.7143(2) 0.2311(2) 0.0984(8) Uani d . 1 . .
N N1 0.3351(2) -0.04856(15) 0.23669(13) 0.0373(4) Uani d . 1 . .
N N2 0.2672(2) 0.07731(16) 0.13055(14) 0.0380(4) Uani d . 1 . .
N N3 0.3367(2) 0.27794(14) 0.33148(14) 0.0367(4) Uani d . 1 . .
N N4 0.1224(2) 0.09447(14) 0.33492(13) 0.0327(4) Uani d . 1 . .
C C1 0.2320(3) 0.1443(2) 0.07928(19) 0.0488(6) Uani d . 1 . .
H H1A 0.2365 0.2169 0.1190 0.059 Uiso calc R 1 . .
C C2 0.1888(3) 0.1112(2) -0.0308(2) 0.0579(7) Uani d . 1 . .
H H2A 0.1652 0.1604 -0.0643 0.070 Uiso calc R 1 . .
C C3 0.1820(3) 0.0046(3) -0.0884(2) 0.0629(8) Uani d . 1 . .
H H3 0.1555 -0.0193 -0.1624 0.076 Uiso calc R 1 . .
C C4 0.2143(3) -0.0681(2) -0.03703(18) 0.0527(6) Uani d . 1 . .
H H4 0.2073 -0.1416 -0.0756 0.063 Uiso calc R 1 . .
C C5 0.2575(3) -0.02919(19) 0.07348(17) 0.0395(5) Uani d . 1 . .
C C6 0.2956(2) -0.10087(18) 0.13567(16) 0.0368(5) Uani d . 1 . .
C C7 0.2878(3) -0.21931(19) 0.08362(17) 0.0416(5) Uani d . 1 . .
C C8 0.1900(3) -0.3086(2) 0.1158(2) 0.0586(7) Uani d . 1 . .
H H8 0.1293 -0.2939 0.1701 0.070 Uiso calc R 1 . .
C C9 0.1835(4) -0.4189(2) 0.0668(2) 0.0736(9) Uani d . 1 . .
H H9 0.1187 -0.4784 0.0887 0.088 Uiso calc R 1 . .
C C10 0.2724(4) -0.4419(2) -0.0146(2) 0.0737(9) Uani d . 1 . .
H H10 0.2667 -0.5166 -0.0476 0.088 Uiso calc R 1 . .
C C11 0.3686(4) -0.3545(2) -0.0462(2) 0.0672(8) Uani d . 1 . .
H H11 0.4291 -0.3699 -0.1006 0.081 Uiso calc R 1 . .
C C12 0.3768(3) -0.2433(2) 0.00211(18) 0.0501(6) Uani d . 1 . .
H H12 0.4424 -0.1843 -0.0202 0.060 Uiso calc R 1 . .
C C13 0.0213(3) 0.00010(18) 0.34823(17) 0.0396(5) Uani d . 1 . .
H H13 0.0474 -0.0661 0.3316 0.047 Uiso calc R 1 . .
C C14 -0.1203(3) -0.0034(2) 0.38561(19) 0.0464(6) Uani d . 1 . .
H H14 -0.1876 -0.0707 0.3942 0.056 Uiso calc R 1 . .
C C15 -0.1606(3) 0.0934(2) 0.40997(18) 0.0463(6) Uani d . 1 . .
H H15 -0.2558 0.0926 0.4349 0.056 Uiso calc R 1 . .
C C16 -0.0576(3) 0.1920(2) 0.39698(17) 0.0413(5) Uani d . 1 . .
H H16 -0.0826 0.2587 0.4129 0.050 Uiso calc R 1 . .
C C17 0.0833(2) 0.19055(17) 0.36005(15) 0.0322(5) Uani d . 1 . .
C C18 0.2045(2) 0.29384(17) 0.34868(16) 0.0348(5) Uani d . 1 . .
C C19 0.1721(3) 0.40061(18) 0.35581(17) 0.0387(5) Uani d . 1 . .
C C20 0.0436(3) 0.3987(2) 0.2929(2) 0.0516(6) Uani d . 1 . .
H H20 -0.0242 0.3298 0.2481 0.062 Uiso calc R 1 . .
C C21 0.0160(4) 0.4993(2) 0.2966(2) 0.0644(8) Uani d . 1 . .
H H21 -0.0702 0.4977 0.2541 0.077 Uiso calc R 1 . .
C C22 0.1154(4) 0.6011(2) 0.3627(2) 0.0652(8) Uani d . 1 . .
H H22 0.0971 0.6684 0.3641 0.078 Uiso calc R 1 . .
C C23 0.2412(4) 0.6044(2) 0.4266(2) 0.0614(7) Uani d . 1 . .
H H23 0.3073 0.6736 0.4719 0.074 Uiso calc R 1 . .
C C24 0.2703(3) 0.50456(19) 0.42393(19) 0.0496(6) Uani d . 1 . .
H H24 0.3557 0.5070 0.4678 0.060 Uiso calc R 1 . .
C C25 0.5679(5) 0.6853(5) 0.2243(3) 0.145(2) Uani d . 1 . .
H H25A 0.5795 0.7050 0.1586 0.217 Uiso calc R 1 . .
H H25B 0.5336 0.7397 0.2742 0.217 Uiso calc R 1 . .
H H25C 0.4915 0.6106 0.2105 0.217 Uiso calc R 1 . .
C C26 0.7191(4) 0.6861(2) 0.2698(2) 0.0583(7) Uani d . 1 . .
C C27 0.7140(4) 0.6509(3) 0.3687(3) 0.0836(10) Uani d . 1 . .
H H27A 0.8184 0.6597 0.3968 0.125 Uiso calc R 1 . .
H H27B 0.6489 0.5724 0.3527 0.125 Uiso calc R 1 . .
H H27C 0.6714 0.6975 0.4208 0.125 Uiso calc R 1 . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 Ni1 N1 . . 170.18(7) y
N3 Ni1 N4 . . 76.84(7) y
N1 Ni1 N4 . . 99.25(7) y
N3 Ni1 N2 . . 94.03(7) y
N1 Ni1 N2 . . 76.92(7) y
N4 Ni1 N2 . . 91.16(7) y
N3 Ni1 Cl1 . . 99.43(5) y
N1 Ni1 Cl1 . . 89.47(5) y
N4 Ni1 Cl1 . . 89.49(5) y
N2 Ni1 Cl1 . . 166.31(5) y
N3 Ni1 Cl2 . . 87.94(5) y
N1 Ni1 Cl2 . . 95.62(6) y
N4 Ni1 Cl2 . . 164.76(5) y
N2 Ni1 Cl2 . . 88.97(5) y
Cl1 Ni1 Cl2 . . 93.97(2) y
N1 O1 H1 . . 109.5 ?
N3 O2 H2 . . 109.5 ?
C6 N1 O1 . . 115.73(17) ?
C6 N1 Ni1 . . 120.35(15) ?
O1 N1 Ni1 . . 123.85(12) ?
C1 N2 C5 . . 118.66(19) ?
C1 N2 Ni1 . . 127.91(16) ?
C5 N2 Ni1 . . 113.37(14) ?
C18 N3 O2 . . 116.43(18) ?
C18 N3 Ni1 . . 120.22(14) ?
O2 N3 Ni1 . . 122.03(13) ?
C13 N4 C17 . . 117.97(18) ?
C13 N4 Ni1 . . 127.23(15) ?
C17 N4 Ni1 . . 114.43(13) ?
N2 C1 C2 . . 123.1(2) ?
N2 C1 H1A . . 118.4 ?
C2 C1 H1A . . 118.4 ?
C3 C2 C1 . . 118.1(2) ?
C3 C2 H2A . . 121.0 ?
C1 C2 H2A . . 121.0 ?
C2 C3 C4 . . 120.1(2) ?
C2 C3 H3 . . 119.9 ?
C4 C3 H3 . . 119.9 ?
C3 C4 C5 . . 118.7(2) ?
C3 C4 H4 . . 120.6 ?
C5 C4 H4 . . 120.6 ?
N2 C5 C4 . . 121.2(2) ?
N2 C5 C6 . . 116.14(18) ?
C4 C5 C6 . . 122.6(2) ?
N1 C6 C7 . . 125.2(2) ?
N1 C6 C5 . . 113.03(19) ?
C7 C6 C5 . . 121.78(18) ?
C12 C7 C8 . . 119.1(2) ?
C12 C7 C6 . . 120.7(2) ?
C8 C7 C6 . . 120.2(2) ?
C9 C8 C7 . . 119.8(3) ?
C9 C8 H8 . . 120.1 ?
C7 C8 H8 . . 120.1 ?
C8 C9 C10 . . 120.7(3) ?
C8 C9 H9 . . 119.7 ?
C10 C9 H9 . . 119.7 ?
C11 C10 C9 . . 119.7(3) ?
C11 C10 H10 . . 120.1 ?
C9 C10 H10 . . 120.1 ?
C10 C11 C12 . . 120.4(3) ?
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C11 C12 C7 . . 120.3(2) ?
C11 C12 H12 . . 119.9 ?
C7 C12 H12 . . 119.9 ?
N4 C13 C14 . . 122.8(2) ?
N4 C13 H13 . . 118.6 ?
C14 C13 H13 . . 118.6 ?
C15 C14 C13 . . 119.2(2) ?
C15 C14 H14 . . 120.4 ?
C13 C14 H14 . . 120.4 ?
C14 C15 C16 . . 119.0(2) ?
C14 C15 H15 . . 120.5 ?
C16 C15 H15 . . 120.5 ?
C15 C16 C17 . . 119.2(2) ?
C15 C16 H16 . . 120.4 ?
C17 C16 H16 . . 120.4 ?
N4 C17 C16 . . 121.86(19) ?
N4 C17 C18 . . 115.20(18) ?
C16 C17 C18 . . 122.9(2) ?
N3 C18 C19 . . 125.41(19) ?
N3 C18 C17 . . 112.33(19) ?
C19 C18 C17 . . 122.25(18) ?
C20 C19 C24 . . 118.9(2) ?
C20 C19 C18 . . 120.0(2) ?
C24 C19 C18 . . 121.1(2) ?
C19 C20 C21 . . 120.2(2) ?
C19 C20 H20 . . 119.9 ?
C21 C20 H20 . . 119.9 ?
C22 C21 C20 . . 120.2(3) ?
C22 C21 H21 . . 119.9 ?
C20 C21 H21 . . 119.9 ?
C23 C22 C21 . . 120.4(3) ?
C23 C22 H22 . . 119.8 ?
C21 C22 H22 . . 119.8 ?
C22 C23 C24 . . 120.1(3) ?
C22 C23 H23 . . 119.9 ?
C24 C23 H23 . . 119.9 ?
C23 C24 C19 . . 120.2(2) ?
C23 C24 H24 . . 119.9 ?
C19 C24 H24 . . 119.9 ?
C26 C25 H25A . . 109.5 ?
C26 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C26 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
O3 C26 C25 . . 123.1(3) ?
O3 C26 C27 . . 122.5(3) ?
C25 C26 C27 . . 114.4(3) ?
C26 C27 H27A . . 109.5 ?
C26 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C26 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 N3 . 2.0344(18) y
Ni1 N1 . 2.0418(18) y
Ni1 N4 . 2.0879(17) y
Ni1 N2 . 2.1188(17) y
Ni1 Cl1 . 2.3944(6) y
Ni1 Cl2 . 2.4153(7) y
O1 N1 . 1.373(2) ?
O1 H1 . 0.8200 ?
O2 N3 . 1.383(2) ?
O2 H2 . 0.8200 ?
O3 C26 . 1.200(3) ?
N1 C6 . 1.290(3) ?
N2 C1 . 1.328(3) ?
N2 C5 . 1.352(3) ?
N3 C18 . 1.292(3) ?
N4 C13 . 1.335(3) ?
N4 C17 . 1.356(3) ?
C1 C2 . 1.389(3) ?
C1 H1A . 0.9300 ?
C2 C3 . 1.363(4) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.381(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.392(3) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.488(3) ?
C6 C7 . 1.477(3) ?
C7 C12 . 1.387(3) ?
C7 C8 . 1.392(3) ?
C8 C9 . 1.380(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.382(4) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.365(4) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.384(3) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C14 . 1.379(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.370(3) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.381(3) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.382(3) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.486(3) ?
C18 C19 . 1.477(3) ?
C19 C20 . 1.386(3) ?
C19 C24 . 1.393(3) ?
C20 C21 . 1.386(3) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.371(4) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.367(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.386(3) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C26 . 1.464(5) ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 C27 . 1.477(4) ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O2 H2 Cl2 . 0.82 2.27 2.9582(18) 142.0
O1 H1 Cl1 2_656 0.82 2.91 3.4612(16) 126.9
O1 H1 Cl1 . 0.82 2.37 3.0542(16) 141.1
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N3 Ni1 N1 C6 . . . . 26.9(5) ?
N4 Ni1 N1 C6 . . . . 92.66(17) ?
N2 Ni1 N1 C6 . . . . 3.62(17) ?
Cl1 Ni1 N1 C6 . . . . -177.94(17) ?
Cl2 Ni1 N1 C6 . . . . -84.00(17) ?
N3 Ni1 N1 O1 . . . . -156.4(4) ?
N4 Ni1 N1 O1 . . . . -90.70(17) ?
N2 Ni1 N1 O1 . . . . -179.74(18) ?
Cl1 Ni1 N1 O1 . . . . -1.30(16) ?
Cl2 Ni1 N1 O1 . . . . 92.64(16) ?
N3 Ni1 N2 C1 . . . . 3.12(19) ?
N1 Ni1 N2 C1 . . . . 179.2(2) ?
N4 Ni1 N2 C1 . . . . 80.01(19) ?
Cl1 Ni1 N2 C1 . . . . 172.62(17) ?
Cl2 Ni1 N2 C1 . . . . -84.74(18) ?
N3 Ni1 N2 C5 . . . . -179.93(15) ?
N1 Ni1 N2 C5 . . . . -3.81(14) ?
N4 Ni1 N2 C5 . . . . -103.04(15) ?
Cl1 Ni1 N2 C5 . . . . -10.4(3) ?
Cl2 Ni1 N2 C5 . . . . 92.21(14) ?
N1 Ni1 N3 C18 . . . . 59.8(5) ?
N4 Ni1 N3 C18 . . . . -7.67(16) ?
N2 Ni1 N3 C18 . . . . 82.58(17) ?
Cl1 Ni1 N3 C18 . . . . -94.92(16) ?
Cl2 Ni1 N3 C18 . . . . 171.40(16) ?
N1 Ni1 N3 O2 . . . . -106.6(4) ?
N4 Ni1 N3 O2 . . . . -174.12(17) ?
N2 Ni1 N3 O2 . . . . -83.87(16) ?
Cl1 Ni1 N3 O2 . . . . 98.64(15) ?
Cl2 Ni1 N3 O2 . . . . 4.95(15) ?
N3 Ni1 N4 C13 . . . . -171.15(18) ?
N1 Ni1 N4 C13 . . . . 18.03(18) ?
N2 Ni1 N4 C13 . . . . 94.97(17) ?
Cl1 Ni1 N4 C13 . . . . -71.35(16) ?
Cl2 Ni1 N4 C13 . . . . -174.69(13) ?
N3 Ni1 N4 C17 . . . . 1.61(13) ?
N1 Ni1 N4 C17 . . . . -169.20(13) ?
N2 Ni1 N4 C17 . . . . -92.26(14) ?
Cl1 Ni1 N4 C17 . . . . 101.42(13) ?
Cl2 Ni1 N4 C17 . . . . -1.9(3) ?
C5 N2 C1 C2 . . . . -1.4(3) ?
Ni1 N2 C1 C2 . . . . 175.42(19) ?
N2 C1 C2 C3 . . . . 0.2(4) ?
C1 C2 C3 C4 . . . . 1.3(4) ?
C2 C3 C4 C5 . . . . -1.6(4) ?
C1 N2 C5 C4 . . . . 1.1(3) ?
Ni1 N2 C5 C4 . . . . -176.19(18) ?
C1 N2 C5 C6 . . . . -178.99(19) ?
Ni1 N2 C5 C6 . . . . 3.7(2) ?
C3 C4 C5 N2 . . . . 0.4(4) ?
C3 C4 C5 C6 . . . . -179.5(2) ?
O1 N1 C6 C7 . . . . 0.3(3) ?
Ni1 N1 C6 C7 . . . . 177.24(16) ?
O1 N1 C6 C5 . . . . -179.56(17) ?
Ni1 N1 C6 C5 . . . . -2.7(3) ?
N2 C5 C6 N1 . . . . -0.9(3) ?
C4 C5 C6 N1 . . . . 179.0(2) ?
N2 C5 C6 C7 . . . . 179.2(2) ?
C4 C5 C6 C7 . . . . -0.9(3) ?
N1 C6 C7 C12 . . . . -121.8(3) ?
C5 C6 C7 C12 . . . . 58.1(3) ?
N1 C6 C7 C8 . . . . 58.4(3) ?
C5 C6 C7 C8 . . . . -121.7(2) ?
C12 C7 C8 C9 . . . . 0.2(4) ?
C6 C7 C8 C9 . . . . -179.9(2) ?
C7 C8 C9 C10 . . . . -0.4(5) ?
C8 C9 C10 C11 . . . . 0.6(5) ?
C9 C10 C11 C12 . . . . -0.5(5) ?
C10 C11 C12 C7 . . . . 0.3(4) ?
C8 C7 C12 C11 . . . . -0.2(4) ?
C6 C7 C12 C11 . . . . -180.0(2) ?
C17 N4 C13 C14 . . . . 0.4(3) ?
Ni1 N4 C13 C14 . . . . 172.90(16) ?
N4 C13 C14 C15 . . . . 0.3(3) ?
C13 C14 C15 C16 . . . . -0.4(3) ?
C14 C15 C16 C17 . . . . -0.1(3) ?
C13 N4 C17 C16 . . . . -0.9(3) ?
Ni1 N4 C17 C16 . . . . -174.40(16) ?
C13 N4 C17 C18 . . . . 177.00(17) ?
Ni1 N4 C17 C18 . . . . 3.5(2) ?
C15 C16 C17 N4 . . . . 0.8(3) ?
C15 C16 C17 C18 . . . . -176.94(19) ?
O2 N3 C18 C19 . . . . -0.9(3) ?
Ni1 N3 C18 C19 . . . . -168.04(16) ?
O2 N3 C18 C17 . . . . 178.61(16) ?
Ni1 N3 C18 C17 . . . . 11.4(2) ?
N4 C17 C18 N3 . . . . -9.5(3) ?
C16 C17 C18 N3 . . . . 168.4(2) ?
N4 C17 C18 C19 . . . . 170.02(18) ?
C16 C17 C18 C19 . . . . -12.1(3) ?
N3 C18 C19 C20 . . . . 127.1(3) ?
C17 C18 C19 C20 . . . . -52.4(3) ?
N3 C18 C19 C24 . . . . -51.9(3) ?
C17 C18 C19 C24 . . . . 128.6(2) ?
C24 C19 C20 C21 . . . . 1.3(4) ?
C18 C19 C20 C21 . . . . -177.7(2) ?
C19 C20 C21 C22 . . . . -0.2(4) ?
C20 C21 C22 C23 . . . . -0.9(4) ?
C21 C22 C23 C24 . . . . 0.8(4) ?
C22 C23 C24 C19 . . . . 0.3(4) ?
C20 C19 C24 C23 . . . . -1.4(4) ?
C18 C19 C24 C23 . . . . 177.6(2) ?
