#------------------------------------------------------------------------------
#$Date: 2017-05-09 04:36:13 +0300 (Tue, 09 May 2017) $
#$Revision: 196567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/82/7228243.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_7228243
loop_
_publ_author_name
'Zhou, Sheng-Bin'
'Wang, Xin-Fang'
'Du, Ceng-Ceng'
'Wang, Duo-Zhi'
'Jia, Dianzeng'
_publ_section_title
;
 A series of new mixed-ligand complexes based on
 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic
 activities
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00394C
_journal_year                    2017
_chemical_formula_sum            'C18 H14.5 N6 Ni O5.25'
_chemical_formula_weight         457.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-07 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                111.4130(10)
_cell_angle_beta                 90.1010(10)
_cell_angle_gamma                101.5080(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4549(3)
_cell_length_b                   9.6723(4)
_cell_length_c                   12.4874(6)
_cell_measurement_reflns_used    3879
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.22
_cell_measurement_theta_min      2.33
_cell_volume                     928.48(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6135
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.292
_diffrn_reflns_theta_min         1.758
_exptl_absorpt_coefficient_mu    1.093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_description       Block
_exptl_crystal_F_000             469
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         1.065
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3360
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.279
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0042P)²+5.6224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1393
_refine_ls_wR_factor_ref         0.1401
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3210
_reflns_number_total             3360
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00394c3.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C18 H14.50 N6 Ni O5.25'
_cod_database_code               7228243
_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   0.795
_shelx_estimated_absorpt_t_max   0.828
loop_
_space_group_symop_operation_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_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 0.1917(6) 0.2093(6) 0.1459(5) 0.0286(12) Uani 1 1 d . . . . .
H1 H 0.2450 0.2245 0.2158 0.034 Uiso 1 1 calc R U . . .
C2 C 0.0223(8) 0.2113(6) 0.0200(5) 0.0342(13) Uani 1 1 d . . . . .
H2 H -0.0669 0.2289 -0.0127 0.041 Uiso 1 1 calc R U . . .
C3 C 0.1340(8) 0.1389(7) -0.0401(5) 0.0420(15) Uani 1 1 d . . . . .
H3 H 0.1368 0.0988 -0.1198 0.050 Uiso 1 1 calc R U . . .
C4 C 0.3522(9) 0.0583(11) 0.0018(7) 0.027(2) Uani 0.5 1 d G U P A -1
C5 C 0.4199(11) 0.0277(12) -0.1035(6) 0.032(3) Uani 0.5 1 d G U P A -1
H5 H 0.3773 0.0540 -0.1603 0.039 Uiso 0.5 1 calc R U P A -1
C6 C 0.5513(12) -0.0422(11) -0.1240(5) 0.033(3) Uani 0.5 1 d G U P A -1
H6 H 0.5967 -0.0626 -0.1945 0.039 Uiso 0.5 1 calc R U P A -1
C7 C 0.6150(9) -0.0816(10) -0.0391(6) 0.022(2) Uani 0.5 1 d G U P A -1
N3 N 0.5473(9) -0.0510(9) 0.0662(6) 0.035(2) Uani 0.5 1 d G . P A -1
N4 N 0.4158(9) 0.0189(9) 0.0867(6) 0.039(3) Uani 0.5 1 d G . P A -1
C8 C 0.1909(7) 0.6468(6) 0.3681(5) 0.0338(13) Uani 1 1 d . . . . .
H8 H 0.2253 0.6155 0.4246 0.041 Uiso 1 1 calc R U . . .
C9 C 0.0592(7) 0.6551(7) 0.2247(6) 0.0367(13) Uani 1 1 d . . . . .
H9 H -0.0172 0.6277 0.1627 0.044 Uiso 1 1 calc R U . . .
C10 C 0.1761(8) 0.7830(7) 0.2624(7) 0.0490(18) Uani 1 1 d . . . . .
H10 H 0.1957 0.8592 0.2323 0.059 Uiso 1 1 calc R U . . .
C11 C 0.3753(10) 0.8936(9) 0.4015(6) 0.037(3) Uani 0.5 1 d G . P B -1
N7 N 0.4455(11) 1.0195(10) 0.3759(5) 0.073(5) Uani 0.5 1 d G . P B -1
N8 N 0.5641(10) 1.1341(9) 0.4528(7) 0.052(3) Uani 0.5 1 d G . P B -1
C14 C 0.6125(10) 1.1229(10) 0.5552(6) 0.019(2) Uani 0.5 1 d G U P B -1
C13 C 0.5423(11) 0.9970(11) 0.5808(5) 0.033(3) Uani 0.5 1 d G . P B -1
H13 H 0.5747 0.9895 0.6493 0.040 Uiso 0.5 1 calc R U P B -1
C12 C 0.4237(11) 0.8824(10) 0.5039(7) 0.028(3) Uani 0.5 1 d G U P B -1
H12 H 0.3767 0.7982 0.5210 0.033 Uiso 0.5 1 calc R U P B -1
C15 C -0.0312(6) 0.1861(5) 0.3679(4) 0.0222(10) Uani 1 1 d . . . . .
C16 C -0.0129(6) 0.0892(6) 0.4358(4) 0.0227(10) Uani 1 1 d . . . . .
C17 C -0.1232(6) -0.0483(6) 0.4123(4) 0.0255(11) Uani 1 1 d . . . . .
H17 H -0.2054 -0.0807 0.3534 0.031 Uiso 1 1 calc R U . . .
C18 C 0.1107(6) 0.1367(6) 0.5237(4) 0.0258(11) Uani 1 1 d . . . . .
H18 H 0.1850 0.2281 0.5394 0.031 Uiso 1 1 calc R U . . .
C19 C -0.3565(7) 0.4343(7) 0.1825(5) 0.0335(13) Uani 1 1 d . . . . .
C20 C -0.4313(6) 0.4670(6) 0.0870(5) 0.0273(11) Uani 1 1 d . . . . .
C21 C -0.3637(7) 0.4394(8) -0.0173(5) 0.0390(15) Uani 1 1 d . . . . .
H21 H -0.2718 0.3982 -0.0298 0.047 Uiso 1 1 calc R U . . .
C22 C -0.5683(7) 0.5273(8) 0.1034(5) 0.0429(16) Uani 1 1 d . . . . .
H22 H -0.6153 0.5458 0.1731 0.052 Uiso 1 1 calc R U . . .
N1 N 0.0595(5) 0.2551(5) 0.1366(4) 0.0245(9) Uani 1 1 d . . . . .
N2 N 0.2422(6) 0.1367(5) 0.0409(4) 0.0346(11) Uani 1 1 d . . . . .
N5 N 0.0701(5) 0.5708(5) 0.2922(4) 0.0242(9) Uani 1 1 d . . . . .
N6 N 0.2608(6) 0.7775(5) 0.3551(5) 0.0419(13) Uani 1 1 d . . . . .
Ni1 Ni -0.06867(7) 0.36138(7) 0.27169(5) 0.01794(18) Uani 1 1 d . . . . .
O1 O 0.0699(4) 0.3110(4) 0.3899(3) 0.0264(8) Uani 1 1 d . . . . .
O2 O -0.1463(4) 0.1447(4) 0.2926(3) 0.0267(8) Uani 1 1 d . . . . .
O3 O -0.2039(5) 0.4478(4) 0.4104(3) 0.0281(8) Uani 1 1 d D . . . .
H1W H -0.292(4) 0.454(8) 0.386(5) 0.042 Uiso 1 1 d D U . . .
H2W H -0.166(7) 0.530(4) 0.465(4) 0.042 Uiso 1 1 d D U . . .
O4 O -0.2359(4) 0.3734(4) 0.1603(3) 0.0280(8) Uani 1 1 d . . . . .
O5 O -0.4193(7) 0.4687(8) 0.2755(4) 0.080(2) Uani 1 1 d . . . . .
O6 O 0.418(2) 0.305(3) 0.394(2) 0.073(7) Uani 0.25 1 d D . P . .
H3W H 0.5034 0.2283 0.4016 0.110 Uiso 0.25 1 d DR U P . .
H4W H 0.4603 0.3403 0.3464 0.110 Uiso 0.25 1 d DR U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
N1 C1 N2 111.6(5) . .
N1 C1 H1 124.2 . .
N2 C1 H1 124.2 . .
C3 C2 N1 110.2(5) . .
C3 C2 H2 124.9 . .
N1 C2 H2 124.9 . .
C2 C3 N2 105.8(5) . .
C2 C3 H3 127.1 . .
N2 C3 H3 127.1 . .
N2 C4 C5 128.5(5) . .
N2 C4 N4 111.1(5) . .
C5 C4 N4 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
N3 C7 C6 120.0 . .
N4 N3 C7 120.0 . .
N3 N4 C4 120.0 . .
N5 C8 N6 111.5(5) . .
N5 C8 H8 124.2 . .
N6 C8 H8 124.2 . .
C10 C9 N5 109.6(6) . .
C10 C9 H9 125.2 . .
N5 C9 H9 125.2 . .
C9 C10 N6 105.7(5) . .
C9 C10 H10 127.2 . .
N6 C10 H10 127.2 . .
N6 C11 N7 135.5(6) . .
N6 C11 C12 104.4(6) . .
N7 C11 C12 120.0 . .
N8 N7 C11 120.0 . .
N7 N8 C14 120.0 . .
N8 C14 C13 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
O2 C15 O1 121.0(4) . .
O2 C15 C16 120.0(4) . .
O1 C15 C16 119.0(4) . .
O2 C15 Ni1 61.6(2) . .
O1 C15 Ni1 59.5(2) . .
C16 C15 Ni1 175.0(3) . .
C17 C16 C18 119.6(5) . .
C17 C16 C15 119.6(4) . .
C18 C16 C15 120.8(5) . .
C18 C17 C16 120.3(5) 2_556 .
C18 C17 H17 119.9 2_556 .
C16 C17 H17 119.9 . .
C17 C18 C16 120.1(5) 2_556 .
C17 C18 H18 119.9 2_556 .
C16 C18 H18 119.9 . .
O5 C19 O4 125.7(5) . .
O5 C19 C20 117.3(5) . .
O4 C19 C20 116.9(5) . .
C21 C20 C22 118.8(5) . .
C21 C20 C19 121.0(5) . .
C22 C20 C19 120.2(5) . .
C20 C21 C22 120.4(5) . 2_465
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 2_465 .
C20 C22 C21 120.8(5) . 2_465
C20 C22 H22 119.6 . .
C21 C22 H22 119.6 2_465 .
C1 N1 C2 105.6(4) . .
C1 N1 Ni1 125.7(4) . .
C2 N1 Ni1 128.6(4) . .
C4 N2 C1 136.4(6) . .
C4 N2 C3 116.4(6) . .
C1 N2 C3 106.8(5) . .
C8 N5 C9 106.2(5) . .
C8 N5 Ni1 126.4(4) . .
C9 N5 Ni1 127.3(4) . .
C11 N6 C8 140.1(7) . .
C11 N6 C10 113.0(6) . .
C8 N6 C10 107.0(5) . .
O4 Ni1 N5 92.94(16) . .
O4 Ni1 N1 90.97(16) . .
N5 Ni1 N1 91.26(17) . .
O4 Ni1 O3 91.12(15) . .
N5 Ni1 O3 94.03(16) . .
N1 Ni1 O3 174.20(16) . .
O4 Ni1 O1 168.25(15) . .
N5 Ni1 O1 98.47(15) . .
N1 Ni1 O1 91.56(15) . .
O3 Ni1 O1 85.32(14) . .
O4 Ni1 O2 107.51(14) . .
N5 Ni1 O2 159.55(15) . .
N1 Ni1 O2 88.39(15) . .
O3 Ni1 O2 85.82(15) . .
O1 Ni1 O2 61.11(13) . .
O4 Ni1 C15 137.61(16) . .
N5 Ni1 C15 129.32(17) . .
N1 Ni1 C15 91.16(16) . .
O3 Ni1 C15 83.65(15) . .
O1 Ni1 C15 30.86(15) . .
O2 Ni1 C15 30.29(15) . .
C15 O1 Ni1 89.7(3) . .
C15 O2 Ni1 88.1(3) . .
Ni1 O3 H1W 109(5) . .
Ni1 O3 H2W 121(5) . .
H1W O3 H2W 107(6) . .
C19 O4 Ni1 128.7(4) . .
H3W O6 H4W 103.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.301(7) .
C1 N2 1.359(7) .
C1 H1 0.9300 .
C2 C3 1.352(8) .
C2 N1 1.375(7) .
C2 H2 0.9300 .
C3 N2 1.371(8) .
C3 H3 0.9300 .
C4 N2 1.300(9) .
C4 C5 1.3900 .
C4 N4 1.3900 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 N3 1.3900 .
N3 N4 1.3900 .
C8 N5 1.293(7) .
C8 N6 1.351(8) .
C8 H8 0.9300 .
C9 C10 1.347(9) .
C9 N5 1.385(7) .
C9 H9 0.9300 .
C10 N6 1.384(9) .
C10 H10 0.9300 .
C11 N6 1.274(9) .
C11 N7 1.3900 .
C11 C12 1.3900 .
N7 N8 1.3900 .
N8 C14 1.3900 .
C14 C13 1.3900 .
C13 C12 1.3900 .
C13 H13 0.9300 .
C12 H12 0.9300 .
C15 O2 1.248(6) .
C15 O1 1.269(6) .
C15 C16 1.503(6) .
C15 Ni1 2.473(5) .
C16 C17 1.393(7) .
C16 C18 1.395(7) .
C17 C18 1.385(7) 2_556
C17 H17 0.9300 .
C18 C17 1.384(7) 2_556
C18 H18 0.9300 .
C19 O5 1.238(7) .
C19 O4 1.259(6) .
C19 C20 1.509(7) .
C20 C21 1.379(8) .
C20 C22 1.381(7) .
C21 C22 1.384(8) 2_465
C21 H21 0.9300 .
C22 C21 1.384(8) 2_465
C22 H22 0.9300 .
N1 Ni1 2.065(4) .
N5 Ni1 2.053(4) .
Ni1 O4 2.031(3) .
Ni1 O3 2.083(4) .
Ni1 O1 2.130(3) .
Ni1 O2 2.178(3) .
O3 H1W 0.83(2) .
O3 H2W 0.84(2) .
O6 H3W 1.1551 .
O6 H4W 0.8373 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1 H1 O1 0.93 2.61 3.089(6) 112.8 .
C1 H1 O6 0.93 2.45 3.36(2) 169.2 .
C3 H3 O2 0.93 2.56 3.358(7) 143.6 2
C5 H5 O2 0.93 2.53 3.045(8) 115.1 2
C8 H8 O3 0.93 2.35 3.222(7) 155.9 2_566
C12 H12 O6 0.93 2.56 3.05(2) 113.3 2_666
O3 H1W O5 0.83(2) 1.81(4) 2.565(6) 151(7) .
O3 H1W O6 0.83(2) 2.60(6) 3.19(2) 129(6) 1_455
O3 H2W O1 0.84(2) 1.94(3) 2.762(5) 166(6) 2_566
O6 H3W N7 1.16 1.89 2.74(3) 127.0 1_545
O6 H3W N8 1.16 1.45 2.54(3) 154.2 1_545
O6 H4W O5 0.84 1.91 2.73(2) 164.1 1_655
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_4
N1 C2 C3 N2 0.5(7) .
N2 C4 C5 C6 171.7(8) .
N4 C4 C5 C6 0.0 .
C4 C5 C6 C7 0.0 .
C5 C6 C7 N3 0.0 .
C6 C7 N3 N4 0.0 .
C7 N3 N4 C4 0.0 .
N2 C4 N4 N3 -173.1(7) .
C5 C4 N4 N3 0.0 .
N5 C9 C10 N6 0.0(7) .
N6 C11 N7 N8 174.8(9) .
C12 C11 N7 N8 0.0 .
C11 N7 N8 C14 0.0 .
N7 N8 C14 C13 0.0 .
N8 C14 C13 C12 0.0 .
C14 C13 C12 C11 0.0 .
N6 C11 C12 C13 -176.3(6) .
N7 C11 C12 C13 0.0 .
O2 C15 C16 C17 1.3(7) .
O1 C15 C16 C17 -180.0(5) .
O2 C15 C16 C18 -177.2(5) .
O1 C15 C16 C18 1.6(7) .
C18 C16 C17 C18 0.4(8) 2_556
C15 C16 C17 C18 -178.1(5) 2_556
C17 C16 C18 C17 -0.4(8) 2_556
C15 C16 C18 C17 178.1(5) 2_556
O5 C19 C20 C21 176.6(7) .
O4 C19 C20 C21 -3.8(9) .
O5 C19 C20 C22 -2.5(10) .
O4 C19 C20 C22 177.0(6) .
C22 C20 C21 C22 0.4(11) 2_465
C19 C20 C21 C22 -178.8(6) 2_465
C21 C20 C22 C21 -0.4(11) 2_465
C19 C20 C22 C21 178.8(6) 2_465
N2 C1 N1 C2 -0.4(6) .
N2 C1 N1 Ni1 176.9(4) .
C3 C2 N1 C1 0.0(7) .
C3 C2 N1 Ni1 -177.2(4) .
C5 C4 N2 C1 -159.6(6) .
N4 C4 N2 C1 12.7(10) .
C5 C4 N2 C3 28.9(9) .
N4 C4 N2 C3 -158.8(5) .
N1 C1 N2 C4 -171.4(8) .
N1 C1 N2 C3 0.7(7) .
C2 C3 N2 C4 173.2(6) .
C2 C3 N2 C1 -0.7(7) .
N6 C8 N5 C9 0.2(6) .
N6 C8 N5 Ni1 177.2(4) .
C10 C9 N5 C8 -0.1(7) .
C10 C9 N5 Ni1 -177.1(4) .
N7 C11 N6 C8 174.5(6) .
C12 C11 N6 C8 -10.1(10) .
N7 C11 N6 C10 -6.7(10) .
C12 C11 N6 C10 168.6(5) .
N5 C8 N6 C11 178.6(8) .
N5 C8 N6 C10 -0.2(7) .
C9 C10 N6 C11 -179.0(6) .
C9 C10 N6 C8 0.1(7) .
O2 C15 O1 Ni1 4.2(5) .
C16 C15 O1 Ni1 -174.5(4) .
O1 C15 O2 Ni1 -4.1(5) .
C16 C15 O2 Ni1 174.6(4) .
O5 C19 O4 Ni1 -18.0(10) .
C20 C19 O4 Ni1 162.5(4) .
