#------------------------------------------------------------------------------
#$Date: 2019-11-05 11:12:42 +0200 (Tue, 05 Nov 2019) $
#$Revision: 223296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/15/7701532.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_7701532
loop_
_publ_author_name
'Gusev, Alexey'
'Nemec, Ivan'
'Herchel, Radovan'
'Riush, Irina'
'Titiš, Ján'
'Boča, Roman'
'Lyssenko, Konstantin'
'Kiskin, Mikhail'
'Eremenko, Igor'
'Linert, Wolfgang'
_publ_section_title
;
 Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii)
 binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10526
_journal_page_last               10536
_journal_paper_doi               10.1039/c9dt01391a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C36 H32 Cl2 N16 Ni2 O12'
_chemical_formula_weight         1069.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-09 deposited with the CCDC.	2019-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 128.416(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3683(3)
_cell_length_b                   15.2467(3)
_cell_length_c                   16.1543(4)
_cell_measurement_reflns_used    4330
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      2.92
_cell_volume                     2386.84(12)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material  ' enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19738
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.119
_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.5 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       block
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         4180
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0517
_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)+(0.0902P)²+3.8740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1502
_refine_ls_wR_factor_ref         0.1555
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3241
_reflns_number_total             4180
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt01391a2.cif
_cod_data_source_block           4a
_cod_original_cell_volume        2386.84(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7701532
_shelx_shelxl_version_number     2014/7
_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   0.708
_shelx_estimated_absorpt_t_max   0.814
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
C1 C 0.7017(4) 0.6341(2) 0.3200(3) 0.0277(8) Uani 1 1 d . . . . .
H1 H 0.7826 0.6224 0.3898 0.033 Uiso 1 1 calc R U . . .
C2 C 0.7100(4) 0.6921(3) 0.2596(3) 0.0349(10) Uani 1 1 d . . . . .
H2 H 0.7956 0.7189 0.2869 0.042 Uiso 1 1 calc R U . . .
C3 C 0.5932(4) 0.7116(3) 0.1589(3) 0.0387(10) Uani 1 1 d . . . . .
H3 H 0.5968 0.7516 0.1155 0.046 Uiso 1 1 calc R U . . .
C4 C 0.4708(4) 0.6714(3) 0.1228(3) 0.0365(10) Uani 1 1 d . . . . .
H4 H 0.3880 0.6841 0.0543 0.044 Uiso 1 1 calc R U . . .
C5 C 0.4703(4) 0.6134(2) 0.1865(3) 0.0274(8) Uani 1 1 d . . . . .
C6 C 0.3478(4) 0.5668(2) 0.1584(3) 0.0270(8) Uani 1 1 d . . . . .
C7 C 0.2274(4) 0.4820(2) 0.1759(3) 0.0254(8) Uani 1 1 d . . . . .
C8 C 0.1822(4) 0.4249(2) 0.2229(3) 0.0274(8) Uani 1 1 d . . . . .
H8A H 0.2543 0.3806 0.2691 0.033 Uiso 1 1 calc R U . . .
H8B H 0.0966 0.3936 0.1664 0.033 Uiso 1 1 calc R U . . .
C9 C 0.1559(4) 0.4808(2) 0.2874(3) 0.0267(8) Uani 1 1 d . . . . .
H9A H 0.2361 0.5199 0.3344 0.032 Uiso 1 1 calc R U . . .
H9B H 0.0742 0.5183 0.2385 0.032 Uiso 1 1 calc R U . . .
C10 C 0.5149(4) 0.3470(3) 0.2136(3) 0.0310(9) Uani 1 1 d . . . . .
H10 H 0.4200 0.3625 0.1703 0.037 Uiso 1 1 calc R U . . .
C11 C 0.5547(5) 0.2794(3) 0.1823(4) 0.0381(10) Uani 1 1 d . . . . .
H11 H 0.4884 0.2492 0.1181 0.046 Uiso 1 1 calc R U . . .
C12 C 0.6920(5) 0.2553(3) 0.2446(4) 0.0419(11) Uani 1 1 d . . . . .
H12 H 0.7213 0.2081 0.2245 0.050 Uiso 1 1 calc R U . . .
C13 C 0.7857(4) 0.3012(3) 0.3368(4) 0.0359(10) Uani 1 1 d . . . . .
H13 H 0.8810 0.2866 0.3810 0.043 Uiso 1 1 calc R U . . .
C14 C 0.7379(4) 0.3690(2) 0.3633(3) 0.0267(8) Uani 1 1 d . . . . .
C15 C 0.8269(4) 0.4198(2) 0.4609(3) 0.0251(8) Uani 1 1 d . . . . .
C16 C 0.8751(4) 0.5116(2) 0.5784(3) 0.0246(8) Uani 1 1 d . . . . .
C17 C 0.8682(4) 0.5727(2) 0.6456(3) 0.0272(8) Uani 1 1 d . . . . .
H17A H 0.7917 0.6149 0.6011 0.033 Uiso 1 1 calc R U . . .
H17B H 0.9555 0.6061 0.6917 0.033 Uiso 1 1 calc R U . . .
C18 C 0.5041(3) 0.5511(2) 0.5015(3) 0.0198(8) Uani 1 1 d . . . . .
Cl1 Cl 0.85860(15) 0.82674(9) 0.56012(12) 0.0663(4) Uani 1 1 d D . . . .
N1 N 0.3575(3) 0.51025(19) 0.2264(2) 0.0239(7) Uani 1 1 d . . . . .
N2 N 0.5846(3) 0.59304(19) 0.2850(2) 0.0229(7) Uani 1 1 d . . . . .
N3 N 0.1426(4) 0.5202(3) 0.0817(3) 0.0384(9) Uani 1 1 d . . . . .
N4 N 0.2202(3) 0.5742(2) 0.0703(3) 0.0395(9) Uani 1 1 d . . . . .
H1N4 H 0.1911 0.6073 0.0154 0.047 Uiso 1 1 calc R U . . .
N5 N 0.7698(3) 0.48191(19) 0.4837(2) 0.0230(7) Uani 1 1 d . . . . .
N6 N 0.6044(3) 0.3924(2) 0.3031(2) 0.0245(7) Uani 1 1 d . . . . .
N7 N 0.9882(3) 0.4686(2) 0.6090(3) 0.0318(8) Uani 1 1 d . . . . .
H1N7 H 1.0706 0.4775 0.6694 0.038 Uiso 1 1 calc R U . . .
N8 N 0.9603(3) 0.4090(2) 0.5351(3) 0.0337(8) Uani 1 1 d . . . . .
Ni1 Ni 0.55883(4) 0.49623(3) 0.36484(3) 0.02044(18) Uani 1 1 d . . . . .
O1 O 0.5300(2) 0.58633(15) 0.44564(19) 0.0219(5) Uani 1 1 d . . . . .
O2 O 0.4848(2) 0.58925(15) 0.55959(19) 0.0232(5) Uani 1 1 d . . . . .
O3A O 0.7731(9) 0.9040(5) 0.5241(8) 0.0960(12) Uani 0.624(5) 1 d D . P A 1
O4A O 0.9864(9) 0.8150(5) 0.6602(7) 0.0960(12) Uani 0.624(5) 1 d D . P A 1
O5A O 0.7662(9) 0.7601(5) 0.5329(7) 0.0960(12) Uani 0.624(5) 1 d D . P A 1
O6A O 0.8896(9) 0.8167(5) 0.4832(7) 0.0960(12) Uani 0.624(5) 1 d D . P A 1
O5B O 0.8121(15) 0.7892(8) 0.6171(11) 0.0960(12) Uani 0.376(5) 1 d D . P A 2
O6B O 0.8165(15) 0.7628(8) 0.4866(10) 0.0960(12) Uani 0.376(5) 1 d D . P A 2
O4B O 0.9966(12) 0.8500(9) 0.6298(11) 0.0960(12) Uani 0.376(5) 1 d D . P A 2
O3B O 0.8255(16) 0.9177(7) 0.5517(14) 0.0960(12) Uani 0.376(5) 1 d D . P A 2
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'
Cl Cl 0.1484 0.1585 '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'
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
N2 C1 C2 122.9(4) . .
N2 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 119.6(4) . .
C1 C2 H2 120.2 . .
C3 C2 H2 120.2 . .
C2 C3 C4 118.1(4) . .
C2 C3 H3 120.9 . .
C4 C3 H3 120.9 . .
C5 C4 C3 119.2(4) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
N2 C5 C4 123.1(4) . .
N2 C5 C6 112.1(3) . .
C4 C5 C6 124.8(3) . .
N4 C6 N1 112.2(3) . .
N4 C6 C5 127.3(4) . .
N1 C6 C5 120.6(3) . .
N3 C7 N1 110.5(3) . .
N3 C7 C8 124.5(3) . .
N1 C7 C8 124.7(3) . .
C7 C8 C9 109.3(3) . .
C7 C8 H8A 109.8 . .
C9 C8 H8A 109.8 . .
C7 C8 H8B 109.8 . .
C9 C8 H8B 109.8 . .
H8A C8 H8B 108.3 . .
C17 C9 C8 113.8(3) 3_666 .
C17 C9 H9A 108.8 3_666 .
C8 C9 H9A 108.8 . .
C17 C9 H9B 108.8 3_666 .
C8 C9 H9B 108.8 . .
H9A C9 H9B 107.7 . .
N6 C10 C11 122.7(4) . .
N6 C10 H10 118.6 . .
C11 C10 H10 118.6 . .
C10 C11 C12 119.5(4) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C13 C12 C11 118.7(4) . .
C13 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
C12 C13 C14 118.6(4) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
N6 C14 C13 123.0(4) . .
N6 C14 C15 113.7(3) . .
C13 C14 C15 123.3(3) . .
N8 C15 N5 114.1(3) . .
N8 C15 C14 126.4(3) . .
N5 C15 C14 119.4(3) . .
N5 C16 N7 108.2(3) . .
N5 C16 C17 126.8(3) . .
N7 C16 C17 124.6(3) . .
C16 C17 C9 108.1(3) . 3_666
C16 C17 H17A 110.1 . .
C9 C17 H17A 110.1 3_666 .
C16 C17 H17B 110.1 . .
C9 C17 H17B 110.1 3_666 .
H17A C17 H17B 108.4 . .
O2 C18 O1 126.7(3) . .
O2 C18 C18 116.8(4) . 3_666
O1 C18 C18 116.5(4) . 3_666
O6B Cl1 O4B 120.1(9) . .
O5A Cl1 O4A 112.9(5) . .
O6B Cl1 O3B 132.8(9) . .
O4B Cl1 O3B 88.0(9) . .
O5A Cl1 O3A 102.6(5) . .
O4A Cl1 O3A 126.0(5) . .
O6B Cl1 O5B 100.4(8) . .
O4B Cl1 O5B 110.8(9) . .
O3B Cl1 O5B 103.7(9) . .
O5A Cl1 O6A 104.2(5) . .
O4A Cl1 O6A 104.7(5) . .
O3A Cl1 O6A 104.3(6) . .
C6 N1 C7 104.1(3) . .
C6 N1 Ni1 112.6(2) . .
C7 N1 Ni1 143.3(3) . .
C1 N2 C5 117.0(3) . .
C1 N2 Ni1 127.2(2) . .
C5 N2 Ni1 115.8(2) . .
C7 N3 N4 107.4(3) . .
C6 N4 N3 105.9(3) . .
C6 N4 H1N4 127.1 . .
N3 N4 H1N4 127.1 . .
C16 N5 C15 104.2(3) . .
C16 N5 Ni1 143.0(3) . .
C15 N5 Ni1 112.8(2) . .
C14 N6 C10 117.5(3) . .
C14 N6 Ni1 115.1(2) . .
C10 N6 Ni1 127.4(3) . .
C16 N7 N8 111.6(3) . .
C16 N7 H1N7 124.2 . .
N8 N7 H1N7 124.2 . .
C15 N8 N7 101.9(3) . .
O1 Ni1 O2 80.58(9) . 3_666
O1 Ni1 N5 95.53(11) . .
O2 Ni1 N5 91.54(11) 3_666 .
O1 Ni1 N1 92.82(10) . .
O2 Ni1 N1 96.98(11) 3_666 .
N5 Ni1 N1 168.94(12) . .
O1 Ni1 N2 94.09(11) . .
O2 Ni1 N2 173.10(10) 3_666 .
N5 Ni1 N2 93.34(11) . .
N1 Ni1 N2 78.82(12) . .
O1 Ni1 N6 171.36(10) . .
O2 Ni1 N6 92.86(11) 3_666 .
N5 Ni1 N6 78.94(12) . .
N1 Ni1 N6 93.55(11) . .
N2 Ni1 N6 92.86(12) . .
C18 O1 Ni1 113.0(2) . .
C18 O2 Ni1 113.1(2) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.339(5) .
C1 C2 1.366(6) .
C1 H1 0.9500 .
C2 C3 1.379(6) .
C2 H2 0.9500 .
C3 C4 1.384(6) .
C3 H3 0.9500 .
C4 C5 1.360(6) .
C4 H4 0.9500 .
C5 N2 1.354(5) .
C5 C6 1.467(5) .
C6 N4 1.319(5) .
C6 N1 1.342(5) .
C7 N3 1.331(5) .
C7 N1 1.345(5) .
C7 C8 1.475(5) .
C8 C9 1.530(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C17 1.526(5) 3_666
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N6 1.344(5) .
C10 C11 1.367(6) .
C10 H10 0.9500 .
C11 C12 1.381(6) .
C11 H11 0.9500 .
C12 C13 1.379(6) .
C12 H12 0.9500 .
C13 C14 1.384(5) .
C13 H13 0.9500 .
C14 N6 1.343(5) .
C14 C15 1.464(5) .
C15 N8 1.315(5) .
C15 N5 1.362(5) .
C16 N5 1.329(5) .
C16 N7 1.330(5) .
C16 C17 1.474(5) .
C17 C9 1.526(5) 3_666
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 O2 1.246(4) .
C18 O1 1.251(4) .
C18 C18 1.561(7) 3_666
Cl1 O6B 1.365(10) .
Cl1 O5A 1.381(7) .
Cl1 O4B 1.385(11) .
Cl1 O4A 1.403(8) .
Cl1 O3B 1.428(11) .
Cl1 O3A 1.442(8) .
Cl1 O5B 1.470(11) .
Cl1 O6A 1.519(7) .
N1 Ni1 2.080(3) .
N2 Ni1 2.110(3) .
N3 N4 1.361(5) .
N4 H1N4 0.8800 .
N5 Ni1 2.077(3) .
N6 Ni1 2.126(3) .
N7 N8 1.363(5) .
N7 H1N7 0.8800 .
Ni1 O1 2.073(2) .
Ni1 O2 2.074(2) 3_666
O2 Ni1 2.074(2) 3_666
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
N2 C1 C2 C3 1.4(6) . .
C1 C2 C3 C4 0.3(6) . .
C2 C3 C4 C5 -1.1(7) . .
C3 C4 C5 N2 0.4(6) . .
C3 C4 C5 C6 179.5(4) . .
N2 C5 C6 N4 177.5(4) . .
C4 C5 C6 N4 -1.7(7) . .
N2 C5 C6 N1 -1.2(5) . .
C4 C5 C6 N1 179.6(4) . .
N3 C7 C8 C9 -89.8(4) . .
N1 C7 C8 C9 82.5(4) . .
C7 C8 C9 C17 -170.4(3) . 3_666
N6 C10 C11 C12 0.6(6) . .
C10 C11 C12 C13 -0.7(7) . .
C11 C12 C13 C14 0.6(6) . .
C12 C13 C14 N6 -0.3(6) . .
C12 C13 C14 C15 177.5(4) . .
N6 C14 C15 N8 178.0(4) . .
C13 C14 C15 N8 0.0(6) . .
N6 C14 C15 N5 1.9(5) . .
C13 C14 C15 N5 -176.1(3) . .
N5 C16 C17 C9 87.3(4) . 3_666
N7 C16 C17 C9 -84.1(4) . 3_666
N4 C6 N1 C7 0.0(4) . .
C5 C6 N1 C7 178.9(3) . .
N4 C6 N1 Ni1 179.0(3) . .
C5 C6 N1 Ni1 -2.1(4) . .
N3 C7 N1 C6 -0.4(4) . .
C8 C7 N1 C6 -173.7(3) . .
N3 C7 N1 Ni1 -178.9(3) . .
C8 C7 N1 Ni1 7.9(6) . .
C2 C1 N2 C5 -2.1(5) . .
C2 C1 N2 Ni1 175.7(3) . .
C4 C5 N2 C1 1.2(5) . .
C6 C5 N2 C1 -178.0(3) . .
C4 C5 N2 Ni1 -176.9(3) . .
C6 C5 N2 Ni1 3.9(4) . .
N1 C7 N3 N4 0.7(5) . .
C8 C7 N3 N4 174.0(3) . .
N1 C6 N4 N3 0.4(5) . .
C5 C6 N4 N3 -178.4(4) . .
C7 N3 N4 C6 -0.6(4) . .
N7 C16 N5 C15 0.1(4) . .
C17 C16 N5 C15 -172.5(4) . .
N7 C16 N5 Ni1 179.6(3) . .
C17 C16 N5 Ni1 7.0(7) . .
N8 C15 N5 C16 0.0(4) . .
C14 C15 N5 C16 176.6(3) . .
N8 C15 N5 Ni1 -179.7(3) . .
C14 C15 N5 Ni1 -3.1(4) . .
C13 C14 N6 C10 0.2(5) . .
C15 C14 N6 C10 -177.8(3) . .
C13 C14 N6 Ni1 178.3(3) . .
C15 C14 N6 Ni1 0.3(4) . .
C11 C10 N6 C14 -0.3(6) . .
C11 C10 N6 Ni1 -178.2(3) . .
N5 C16 N7 N8 -0.1(4) . .
C17 C16 N7 N8 172.7(3) . .
N5 C15 N8 N7 0.0(4) . .
C14 C15 N8 N7 -176.4(4) . .
C16 N7 N8 C15 0.1(4) . .
O2 C18 O1 Ni1 178.6(3) . .
C18 C18 O1 Ni1 -1.0(4) 3_666 .
O1 C18 O2 Ni1 178.9(3) . 3_666
C18 C18 O2 Ni1 -1.5(4) 3_666 3_666
