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#$Date: 2022-06-28 12:19:02 +0300 (Tue, 28 Jun 2022) $
#$Revision: 276317 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/55/8105549.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_8105549
loop_
_publ_author_name
'Li, Ming'
'Wu, Jiang-Bin'
'Zong, Hai-Tao'
'Wu, Wei-Na'
_publ_section_title
;
 Crystal structure of
 [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4
 N,N′,N′′,N′′′]nickel(II),
 C23H30N4O4Ni
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               82
_journal_paper_doi               10.1515/ncrs-2018-0186
_journal_volume                  234
_journal_year                    2018
_chemical_formula_sum            'C23 H30 N4 Ni O4'
_chemical_formula_weight         485.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                95.621(2)
_cell_angle_beta                 99.908(2)
_cell_angle_gamma                101.300(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5883(9)
_cell_length_b                   12.3110(15)
_cell_length_c                   12.7718(15)
_cell_measurement_reflns_used    3783
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.56
_cell_measurement_theta_min      1.98
_cell_volume                     1141.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5995
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.703
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_description       block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         3976
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0433
_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)+(0.0821P)²+0.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1239
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3471
_reflns_number_total             3976
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0186_suppl.cif
_cod_data_source_block           z
_cod_database_code               8105549
_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   0.850
_shelx_estimated_absorpt_t_max   0.871
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
Ni1 Ni 0.47371(4) 0.47536(2) 0.23179(2) 0.03240(15) Uani 1 1 d . . . . .
O1 O 1.0777(3) 0.84442(17) 0.46845(17) 0.0530(5) Uani 1 1 d . . . . .
O2 O 1.1071(4) 0.7695(2) 0.62107(19) 0.0755(8) Uani 1 1 d . . . . .
O3 O 0.2304(4) 0.85102(18) -0.03955(18) 0.0626(6) Uani 1 1 d . . . . .
O4 O 0.2230(5) 0.8981(2) 0.1320(2) 0.0875(9) Uani 1 1 d . . . . .
N1 N 0.6577(3) 0.56542(17) 0.34353(17) 0.0339(5) Uani 1 1 d . . . . .
N2 N 0.5053(3) 0.35975(18) 0.31607(19) 0.0412(5) Uani 1 1 d . . . . .
N3 N 0.3404(3) 0.37672(17) 0.10850(18) 0.0386(5) Uani 1 1 d . . . . .
N4 N 0.3805(3) 0.58554(17) 0.15816(17) 0.0338(5) Uani 1 1 d . . . . .
C1 C 1.2515(5) 1.0168(3) 0.4415(4) 0.0748(11) Uani 1 1 d . . . . .
H1A H 1.346984 1.080302 0.474448 0.112 Uiso 1 1 calc R U . . .
H1B H 1.286678 0.979963 0.381153 0.112 Uiso 1 1 calc R U . . .
H1C H 1.140436 1.041261 0.417786 0.112 Uiso 1 1 calc R U . . .
C2 C 1.2213(5) 0.9386(3) 0.5200(3) 0.0698(10) Uani 1 1 d . . . . .
H2A H 1.333044 0.913705 0.544708 0.084 Uiso 1 1 calc R U . . .
H2B H 1.186261 0.975229 0.581477 0.084 Uiso 1 1 calc R U . . .
C3 C 1.0304(4) 0.7633(2) 0.5288(2) 0.0436(7) Uani 1 1 d . . . . .
C4 C 0.8824(3) 0.6730(2) 0.4719(2) 0.0364(6) Uani 1 1 d . . . . .
C5 C 0.7834(3) 0.6625(2) 0.3646(2) 0.0351(6) Uani 1 1 d . . . . .
C7 C 0.6824(3) 0.5112(2) 0.4340(2) 0.0346(6) Uani 1 1 d . . . . .
C6 C 0.8159(4) 0.5745(2) 0.5150(2) 0.0362(6) Uani 1 1 d . . . . .
C8 C 0.8126(4) 0.7365(2) 0.2809(2) 0.0475(7) Uani 1 1 d . . . . .
H8A H 0.928851 0.734779 0.261483 0.071 Uiso 1 1 calc R U . . .
H8B H 0.811018 0.811622 0.308357 0.071 Uiso 1 1 calc R U . . .
H8C H 0.716646 0.710687 0.218737 0.071 Uiso 1 1 calc R U . . .
C9 C 0.8813(4) 0.5423(3) 0.6228(2) 0.0452(7) Uani 1 1 d . . . . .
H9A H 1.011831 0.550167 0.635001 0.068 Uiso 1 1 calc R U . . .
H9B H 0.823745 0.466068 0.625006 0.068 Uiso 1 1 calc R U . . .
H9C H 0.850105 0.590170 0.677535 0.068 Uiso 1 1 calc R U . . .
C10 C 0.5941(4) 0.3959(2) 0.4129(2) 0.0391(6) Uani 1 1 d . . . . .
H10 H 0.600086 0.349205 0.465823 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4328(5) 0.2388(2) 0.2863(3) 0.0672(10) Uani 1 1 d . . . . .
H11A H 0.532287 0.204076 0.272526 0.081 Uiso 1 1 calc R U . . .
H11B H 0.389533 0.208710 0.346951 0.081 Uiso 1 1 calc R U . . .
C12 C 0.2832(6) 0.2070(3) 0.1923(3) 0.0777(12) Uani 1 1 d . . . . .
H12A H 0.176006 0.229212 0.211640 0.093 Uiso 1 1 calc R U . . .
H12B H 0.253979 0.126162 0.176051 0.093 Uiso 1 1 calc R U . . .
C13 C 0.3153(5) 0.2537(2) 0.0931(3) 0.0548(8) Uani 1 1 d . . . . .
H13A H 0.423588 0.233811 0.073035 0.066 Uiso 1 1 calc R U . . .
H13B H 0.211730 0.221659 0.035292 0.066 Uiso 1 1 calc R U . . .
C14 C 0.2855(4) 0.4266(2) 0.0287(2) 0.0393(6) Uani 1 1 d . . . . .
H14 H 0.235825 0.387603 -0.039456 0.047 Uiso 1 1 calc R U . . .
C15 C 0.3052(3) 0.5443(2) 0.0506(2) 0.0355(6) Uani 1 1 d . . . . .
C16 C 0.2426(4) 0.6241(2) -0.0036(2) 0.0377(6) Uani 1 1 d . . . . .
C17 C 0.2721(4) 0.7187(2) 0.0746(2) 0.0395(6) Uani 1 1 d . . . . .
C18 C 0.3526(4) 0.6898(2) 0.1735(2) 0.0364(6) Uani 1 1 d . . . . .
C19 C 0.1509(4) 0.6069(3) -0.1205(2) 0.0490(7) Uani 1 1 d . . . . .
H19A H 0.230998 0.648133 -0.160356 0.074 Uiso 1 1 calc R U . . .
H19B H 0.038729 0.632932 -0.127572 0.074 Uiso 1 1 calc R U . . .
H19C H 0.124808 0.528837 -0.147906 0.074 Uiso 1 1 calc R U . . .
C20 C 0.3918(4) 0.7577(2) 0.2821(2) 0.0488(7) Uani 1 1 d . . . . .
H20A H 0.279493 0.771931 0.299411 0.073 Uiso 1 1 calc R U . . .
H20B H 0.474493 0.827480 0.281679 0.073 Uiso 1 1 calc R U . . .
H20C H 0.446539 0.717357 0.334676 0.073 Uiso 1 1 calc R U . . .
C21 C 0.2384(4) 0.8297(3) 0.0615(3) 0.0493(7) Uani 1 1 d . . . . .
C22 C 0.2068(7) 0.9618(3) -0.0599(3) 0.0792(12) Uani 1 1 d D . . . .
H22A H 0.080746 0.967060 -0.060461 0.095 Uiso 1 1 calc R U . . .
H22B H 0.285429 1.017648 -0.003522 0.095 Uiso 1 1 calc R U . . .
C23 C 0.2532(9) 0.9817(4) -0.1620(4) 0.120(2) Uani 1 1 d D . . . .
H23A H 0.237913 1.054885 -0.175972 0.180 Uiso 1 1 calc R U . . .
H23B H 0.378323 0.977021 -0.160669 0.180 Uiso 1 1 calc R U . . .
H23C H 0.174262 0.926588 -0.217436 0.180 Uiso 1 1 calc R U . . .
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
N3 Ni1 N2 94.38(9) . .
N3 Ni1 N1 166.03(10) . .
N2 Ni1 N1 83.70(9) . .
N3 Ni1 N4 83.74(9) . .
N2 Ni1 N4 164.77(10) . .
N1 Ni1 N4 101.66(9) . .
C3 O1 C2 116.7(2) . .
C21 O3 C22 116.5(3) . .
C5 N1 C7 106.8(2) . .
C5 N1 Ni1 141.82(19) . .
C7 N1 Ni1 111.18(16) . .
C10 N2 C11 118.3(2) . .
C10 N2 Ni1 113.52(18) . .
C11 N2 Ni1 128.1(2) . .
C14 N3 C13 119.5(2) . .
C14 N3 Ni1 113.84(18) . .
C13 N3 Ni1 126.3(2) . .
C18 N4 C15 106.3(2) . .
C18 N4 Ni1 142.36(18) . .
C15 N4 Ni1 111.28(16) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C1 108.2(3) . .
O1 C2 H2A 110.1 . .
C1 C2 H2A 110.1 . .
O1 C2 H2B 110.1 . .
C1 C2 H2B 110.1 . .
H2A C2 H2B 108.4 . .
O2 C3 O1 121.3(3) . .
O2 C3 C4 125.5(3) . .
O1 C3 C4 113.2(2) . .
C6 C4 C5 107.6(2) . .
C6 C4 C3 124.2(3) . .
C5 C4 C3 128.1(2) . .
N1 C5 C4 108.7(2) . .
N1 C5 C8 121.8(2) . .
C4 C5 C8 129.3(2) . .
C6 C7 N1 112.0(2) . .
C6 C7 C10 133.8(2) . .
N1 C7 C10 112.5(2) . .
C7 C6 C4 104.8(2) . .
C7 C6 C9 126.7(2) . .
C4 C6 C9 128.5(2) . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 C7 116.2(2) . .
N2 C10 H10 121.9 . .
C7 C10 H10 121.9 . .
C12 C11 N2 115.0(3) . .
C12 C11 H11A 108.5 . .
N2 C11 H11A 108.5 . .
C12 C11 H11B 108.5 . .
N2 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
C11 C12 C13 117.1(3) . .
C11 C12 H12A 108.0 . .
C13 C12 H12A 108.0 . .
C11 C12 H12B 108.0 . .
C13 C12 H12B 108.0 . .
H12A C12 H12B 107.3 . .
N3 C13 C12 111.1(3) . .
N3 C13 H13A 109.4 . .
C12 C13 H13A 109.4 . .
N3 C13 H13B 109.4 . .
C12 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
N3 C14 C15 116.5(2) . .
N3 C14 H14 121.8 . .
C15 C14 H14 121.8 . .
C16 C15 N4 111.6(2) . .
C16 C15 C14 135.1(2) . .
N4 C15 C14 112.4(2) . .
C15 C16 C17 105.1(2) . .
C15 C16 C19 125.3(2) . .
C17 C16 C19 129.5(3) . .
C16 C17 C18 107.4(2) . .
C16 C17 C21 129.1(3) . .
C18 C17 C21 123.5(3) . .
N4 C18 C17 109.5(2) . .
N4 C18 C20 122.9(2) . .
C17 C18 C20 127.5(2) . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O4 C21 O3 121.9(3) . .
O4 C21 C17 125.8(3) . .
O3 C21 C17 112.3(3) . .
C23 C22 O3 109.0(3) . .
C23 C22 H22A 109.9 . .
O3 C22 H22A 109.9 . .
C23 C22 H22B 109.9 . .
O3 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N3 1.890(2) .
Ni1 N2 1.894(2) .
Ni1 N1 1.901(2) .
Ni1 N4 1.903(2) .
O1 C3 1.351(4) .
O1 C2 1.440(4) .
O2 C3 1.209(4) .
O3 C21 1.335(4) .
O3 C22 1.452(4) .
O4 C21 1.208(4) .
N1 C5 1.347(3) .
N1 C7 1.393(3) .
N2 C10 1.292(4) .
N2 C11 1.470(4) .
N3 C14 1.290(4) .
N3 C13 1.477(3) .
N4 C18 1.342(3) .
N4 C15 1.397(3) .
C1 C2 1.472(5) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.448(4) .
C4 C6 1.419(4) .
C4 C5 1.426(4) .
C5 C8 1.488(4) .
C7 C6 1.370(4) .
C7 C10 1.424(4) .
C6 C9 1.500(4) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10 0.9300 .
C11 C12 1.466(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.478(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.422(4) .
C14 H14 0.9300 .
C15 C16 1.368(4) .
C16 C17 1.414(4) .
C16 C19 1.511(4) .
C17 C18 1.414(4) .
C17 C21 1.459(4) .
C18 C20 1.498(4) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C22 C23 1.440(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
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
N3 Ni1 N2 C10 -179.1(2) . . . .
N1 Ni1 N2 C10 14.8(2) . . . .
N4 Ni1 N2 C10 -96.9(4) . . . .
N3 Ni1 N2 C11 -3.1(3) . . . .
N1 Ni1 N2 C11 -169.2(3) . . . .
N4 Ni1 N2 C11 79.1(5) . . . .
N2 Ni1 N3 C14 178.1(2) . . . .
N1 Ni1 N3 C14 -100.4(4) . . . .
N4 Ni1 N3 C14 13.3(2) . . . .
N2 Ni1 N3 C13 -9.6(2) . . . .
N1 Ni1 N3 C13 71.9(5) . . . .
N4 Ni1 N3 C13 -174.4(2) . . . .
C3 O1 C2 C1 -179.8(3) . . . .
C2 O1 C3 O2 -0.9(5) . . . .
C2 O1 C3 C4 178.7(3) . . . .
O2 C3 C4 C6 -4.8(5) . . . .
O1 C3 C4 C6 175.6(2) . . . .
O2 C3 C4 C5 178.1(3) . . . .
O1 C3 C4 C5 -1.5(4) . . . .
C7 N1 C5 C4 -3.2(3) . . . .
Ni1 N1 C5 C4 -177.6(2) . . . .
C7 N1 C5 C8 172.5(2) . . . .
Ni1 N1 C5 C8 -1.8(5) . . . .
C6 C4 C5 N1 2.3(3) . . . .
C3 C4 C5 N1 179.8(3) . . . .
C6 C4 C5 C8 -173.0(3) . . . .
C3 C4 C5 C8 4.5(5) . . . .
C5 N1 C7 C6 3.1(3) . . . .
Ni1 N1 C7 C6 179.40(17) . . . .
C5 N1 C7 C10 -164.0(2) . . . .
Ni1 N1 C7 C10 12.3(3) . . . .
N1 C7 C6 C4 -1.7(3) . . . .
C10 C7 C6 C4 161.8(3) . . . .
N1 C7 C6 C9 -178.9(2) . . . .
C10 C7 C6 C9 -15.4(5) . . . .
C5 C4 C6 C7 -0.4(3) . . . .
C3 C4 C6 C7 -178.0(2) . . . .
C5 C4 C6 C9 176.8(3) . . . .
C3 C4 C6 C9 -0.9(4) . . . .
C11 N2 C10 C7 171.9(3) . . . .
Ni1 N2 C10 C7 -11.6(3) . . . .
C6 C7 C10 N2 -164.0(3) . . . .
N1 C7 C10 N2 -0.6(3) . . . .
C10 N2 C11 C12 159.3(3) . . . .
Ni1 N2 C11 C12 -16.6(5) . . . .
N2 C11 C12 C13 52.7(5) . . . .
C14 N3 C13 C12 -147.5(3) . . . .
Ni1 N3 C13 C12 40.5(4) . . . .
C11 C12 C13 N3 -64.2(5) . . . .
C13 N3 C14 C15 176.8(2) . . . .
Ni1 N3 C14 C15 -10.3(3) . . . .
C18 N4 C15 C16 4.5(3) . . . .
Ni1 N4 C15 C16 -178.26(17) . . . .
C18 N4 C15 C14 -166.0(2) . . . .
Ni1 N4 C15 C14 11.2(3) . . . .
N3 C14 C15 C16 -168.3(3) . . . .
N3 C14 C15 N4 -0.8(3) . . . .
N4 C15 C16 C17 -2.7(3) . . . .
C14 C15 C16 C17 164.8(3) . . . .
N4 C15 C16 C19 -179.0(2) . . . .
C14 C15 C16 C19 -11.5(5) . . . .
C15 C16 C17 C18 0.0(3) . . . .
C19 C16 C17 C18 176.1(3) . . . .
C15 C16 C17 C21 177.2(3) . . . .
C19 C16 C17 C21 -6.8(5) . . . .
C15 N4 C18 C17 -4.3(3) . . . .
Ni1 N4 C18 C17 179.8(2) . . . .
C15 N4 C18 C20 171.9(3) . . . .
Ni1 N4 C18 C20 -4.0(5) . . . .
C16 C17 C18 N4 2.7(3) . . . .
C21 C17 C18 N4 -174.6(2) . . . .
C16 C17 C18 C20 -173.2(3) . . . .
C21 C17 C18 C20 9.4(5) . . . .
C22 O3 C21 O4 1.5(5) . . . .
C22 O3 C21 C17 -176.9(3) . . . .
C16 C17 C21 O4 160.6(4) . . . .
C18 C17 C21 O4 -22.7(5) . . . .
C16 C17 C21 O3 -21.0(4) . . . .
C18 C17 C21 O3 155.7(3) . . . .
C21 O3 C22 C23 163.6(4) . . . .
