#------------------------------------------------------------------------------
#$Date: 2017-02-04 16:11:15 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191715 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/58/7055865.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_7055865
loop_
_publ_author_name
'Andrusenko, Elena V.'
'Kabin, Evgeniy V.'
'Novikov, Alexander S.'
'Bokach, Nadezhda A.'
'Starova, Galina L.'
'Kukushkin, Vadim Yu.'
_publ_section_title
;
 Metal-mediated generation of triazapentadienate-terminated di- and
 trinuclear μ2-pyrazolate NiII species and control of their nuclearity
;
_journal_issue                   1
_journal_name_full               'New J. Chem.'
_journal_page_first              316
_journal_paper_doi               10.1039/C6NJ02962K
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C28 H44 N14 Ni3 O4'
_chemical_formula_sum            'C28 H44 N14 Ni3 O4'
_chemical_formula_weight         816.90
_chemical_name_systematic
;
 ? 
;
_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   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-12-02
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_audit_update_record
;
2016-07-11 deposited with the CCDC.
2016-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                107.345(4)
_cell_angle_beta                 98.847(4)
_cell_angle_gamma                99.464(4)
_cell_formula_units_Z            1
_cell_length_a                   8.6286(4)
_cell_length_b                   8.7296(4)
_cell_length_c                   12.6607(5)
_cell_measurement_reflns_used    3053
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.3220
_cell_measurement_theta_min      3.0820
_cell_volume                     876.82(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.9992
_diffrn_measured_fraction_theta_max 0.9992
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -40.00    4.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777   38.0000  120.0000 44

#__ type_ start__ end____ width___ exp.time_
  2 omega  -23.00   24.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000 -150.0000 47

#__ type_ start__ end____ width___ exp.time_
  3 omega  -91.00  -35.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777 -178.0000  120.0000 56

#__ type_ start__ end____ width___ exp.time_
  4 omega   -9.00   24.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000  -60.0000 33

#__ type_ start__ end____ width___ exp.time_
  5 omega  -51.00   41.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -38.0000  -30.0000 92

#__ type_ start__ end____ width___ exp.time_
  6 omega    0.00   87.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   57.0000  150.0000 87

#__ type_ start__ end____ width___ exp.time_
  7 omega   21.00   73.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152   57.0000  -60.0000 52

#__ type_ start__ end____ width___ exp.time_
  8 omega  -50.00   40.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -57.0000  120.0000 90

#__ type_ start__ end____ width___ exp.time_
  9 omega  -25.00    5.00   1.0000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -99.0000  -60.0000 30
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0489097000
_diffrn_orient_matrix_UB_12      0.0675447000
_diffrn_orient_matrix_UB_13      -0.0080172000
_diffrn_orient_matrix_UB_21      0.0694748000
_diffrn_orient_matrix_UB_22      -0.0175851000
_diffrn_orient_matrix_UB_23      0.0276327000
_diffrn_orient_matrix_UB_31      0.0080115000
_diffrn_orient_matrix_UB_32      -0.0524734000
_diffrn_orient_matrix_UB_33      -0.0527694000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9512
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.51
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.650
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tables
_exptl_crystal_F_000             426
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0435
_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)+(0.0329P)²+0.5851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0903
_reflns_number_gt                3004
_reflns_number_total             3884
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6nj02962k2.cif
_cod_data_source_block           eva269
_cod_depositor_comments
'Adding full bibliography for 7055865--7055869.cif.'
_cod_original_cell_volume        876.83(6)
_cod_database_code               7055865
_chemical_oxdiff_formula         'ni cl2 N8 C6 h12'
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni2 Ni 0.0000 0.0000 0.5000 0.01201(13) Uani 1 2 d S
Ni1 Ni 0.25907(5) 0.07196(5) 0.73351(3) 0.01798(12) Uani 1 1 d .
N2 N 0.2692(3) -0.0931(4) 0.7967(2) 0.0232(6) Uani 1 1 d .
O1 O 0.2814(3) -0.2257(3) 0.92283(19) 0.0338(6) Uani 1 1 d .
N5 N 0.1744(3) -0.1051(3) 0.4996(2) 0.0148(5) Uani 1 1 d .
O2 O 0.1671(3) 0.2849(3) 1.04002(18) 0.0295(6) Uani 1 1 d .
N4 N 0.2927(3) -0.0637(3) 0.5958(2) 0.0152(5) Uani 1 1 d .
N7 N 0.1471(3) 0.2046(3) 0.5669(2) 0.0141(5) Uani 1 1 d .
N1 N 0.2376(3) 0.0355(3) 0.9829(2) 0.0255(6) Uani 1 1 d .
N6 N 0.2506(3) 0.2398(3) 0.6690(2) 0.0154(5) Uani 1 1 d .
N3 N 0.2163(3) 0.2008(4) 0.8661(2) 0.0227(6) Uani 1 1 d .
C2 C 0.2084(4) 0.1670(4) 0.9588(3) 0.0223(7) Uani 1 1 d .
C17 C 0.1713(4) 0.3356(4) 0.5331(2) 0.0154(6) Uani 1 1 d .
C3 C 0.2629(4) -0.0870(4) 0.9001(3) 0.0252(8) Uani 1 1 d .
C6 C 0.4103(4) -0.1406(4) 0.5700(3) 0.0158(6) Uani 1 1 d .
C16 C 0.2904(4) 0.4592(4) 0.6145(3) 0.0192(7) Uani 1 1 d .
H16 H 0.3309 0.5637 0.6126 0.023 Uiso 1 1 calc R
C18 C 0.0793(4) 0.3364(4) 0.4230(2) 0.0203(7) Uani 1 1 d .
H18A H 0.0745 0.2350 0.3645 0.030 Uiso 1 1 calc R
H18B H 0.1322 0.4270 0.4040 0.030 Uiso 1 1 calc R
H18C H -0.0278 0.3475 0.4300 0.030 Uiso 1 1 calc R
C7 C 0.3694(4) -0.2342(4) 0.4562(3) 0.0197(7) Uani 1 1 d .
H7 H 0.4294 -0.3002 0.4158 0.024 Uiso 1 1 calc R
C15 C 0.3368(4) 0.3948(4) 0.6993(3) 0.0181(7) Uani 1 1 d .
C8 C 0.2202(4) -0.2092(4) 0.4146(2) 0.0162(6) Uani 1 1 d .
C5 C 0.5622(4) -0.1166(4) 0.6544(3) 0.0231(7) Uani 1 1 d .
H5A H 0.5438 -0.1860 0.6995 0.035 Uiso 1 1 calc R
H5B H 0.5944 -0.0036 0.7026 0.035 Uiso 1 1 calc R
H5C H 0.6456 -0.1448 0.6151 0.035 Uiso 1 1 calc R
C14 C 0.4685(4) 0.4699(4) 0.8035(3) 0.0250(8) Uani 1 1 d .
H14A H 0.4432 0.4249 0.8608 0.037 Uiso 1 1 calc R
H14B H 0.4788 0.5870 0.8307 0.037 Uiso 1 1 calc R
H14C H 0.5680 0.4462 0.7856 0.037 Uiso 1 1 calc R
C9 C 0.1200(4) -0.2780(4) 0.2964(2) 0.0225(7) Uani 1 1 d .
H9A H 0.0877 -0.1903 0.2738 0.034 Uiso 1 1 calc R
H9B H 0.0262 -0.3564 0.2939 0.034 Uiso 1 1 calc R
H9C H 0.1818 -0.3313 0.2457 0.034 Uiso 1 1 calc R
C4 C 0.1427(5) 0.2493(4) 1.1415(3) 0.0323(9) Uani 1 1 d .
H4A H 0.0964 0.3321 1.1861 0.049 Uiso 1 1 calc R
H4B H 0.2442 0.2489 1.1848 0.049 Uiso 1 1 calc R
H4C H 0.0714 0.1434 1.1210 0.049 Uiso 1 1 calc R
C1 C 0.2787(6) -0.2277(5) 1.0356(3) 0.0470(11) Uani 1 1 d .
H1A H 0.3736 -0.1541 1.0872 0.070 Uiso 1 1 calc R
H1B H 0.2759 -0.3373 1.0375 0.070 Uiso 1 1 calc R
H1C H 0.1850 -0.1931 1.0576 0.070 Uiso 1 1 calc R
H3 H 0.191(4) 0.294(4) 0.871(3) 0.017(9) Uiso 1 1 d .
H2 H 0.280(4) -0.191(5) 0.761(3) 0.033(11) Uiso 1 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'
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
N5 Ni2 N5 179.999(1) . 2_556
N7 Ni2 N5 90.91(10) . 2_556
N7 Ni2 N5 89.10(10) 2_556 2_556
N7 Ni2 N5 89.10(10) . .
N7 Ni2 N5 90.90(10) 2_556 .
N7 Ni2 N7 180.0 . 2_556
N2 Ni1 N4 90.92(11) . .
N2 Ni1 N6 179.47(12) . .
N6 Ni1 N4 88.79(10) . .
N3 Ni1 N2 88.98(13) . .
N3 Ni1 N4 177.42(12) . .
N3 Ni1 N6 91.33(12) . .
Ni1 N2 H2 125(2) . .
C3 N2 Ni1 128.1(2) . .
C3 N2 H2 107(2) . .
C3 O1 C1 117.8(3) . .
N4 N5 Ni2 120.49(18) . .
C8 N5 Ni2 131.3(2) . .
C8 N5 N4 107.8(2) . .
C2 O2 C4 117.3(3) . .
N5 N4 Ni1 118.44(18) . .
C6 N4 Ni1 132.8(2) . .
C6 N4 N5 108.7(2) . .
N6 N7 Ni2 120.69(18) . .
C17 N7 Ni2 130.9(2) . .
C17 N7 N6 108.4(2) . .
C2 N1 C3 117.6(3) . .
N7 N6 Ni1 118.79(18) . .
C15 N6 Ni1 132.5(2) . .
C15 N6 N7 108.5(2) . .
Ni1 N3 H3 121(2) . .
C2 N3 Ni1 128.4(2) . .
C2 N3 H3 110(2) . .
N1 C2 O2 117.5(3) . .
N3 C2 O2 114.3(3) . .
N3 C2 N1 128.2(3) . .
N7 C17 C16 108.9(3) . .
N7 C17 C18 121.9(3) . .
C16 C17 C18 129.2(3) . .
N2 C3 O1 114.5(3) . .
N2 C3 N1 128.1(3) . .
N1 C3 O1 117.4(3) . .
N4 C6 C7 108.9(3) . .
N4 C6 C5 122.8(3) . .
C7 C6 C5 128.3(3) . .
C17 C16 H16 127.0 . .
C17 C16 C15 105.9(3) . .
C15 C16 H16 127.0 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C6 C7 H7 127.1 . .
C6 C7 C8 105.8(3) . .
C8 C7 H7 127.1 . .
N6 C15 C16 108.3(3) . .
N6 C15 C14 122.6(3) . .
C16 C15 C14 128.9(3) . .
N5 C8 C7 108.8(3) . .
N5 C8 C9 122.2(3) . .
C7 C8 C9 129.0(3) . .
C6 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
C6 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C15 C14 H14A 109.5 . .
C15 C14 H14B 109.5 . .
C15 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O2 C4 H4A 109.5 . .
O2 C4 H4B 109.5 . .
O2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni2 N5 1.887(2) 2_556
Ni2 N5 1.887(2) .
Ni2 N7 1.881(2) .
Ni2 N7 1.881(2) 2_556
Ni1 N2 1.852(3) .
Ni1 N4 1.888(2) .
Ni1 N6 1.885(2) .
Ni1 N3 1.849(3) .
N2 C3 1.305(4) .
N2 H2 0.87(4) .
O1 C3 1.353(4) .
O1 C1 1.437(4) .
N5 N4 1.375(3) .
N5 C8 1.344(4) .
O2 C2 1.358(4) .
O2 C4 1.445(4) .
N4 C6 1.334(4) .
N7 N6 1.371(3) .
N7 C17 1.333(4) .
N1 C2 1.325(4) .
N1 C3 1.330(4) .
N6 C15 1.342(4) .
N3 C2 1.301(4) .
N3 H3 0.86(3) .
C17 C16 1.389(4) .
C17 C18 1.496(4) .
C6 C7 1.384(4) .
C6 C5 1.500(4) .
C16 H16 0.9300 .
C16 C15 1.390(4) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C7 H7 0.9300 .
C7 C8 1.391(4) .
C15 C14 1.496(4) .
C8 C9 1.498(4) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 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
Ni2 N5 N4 Ni1 10.4(3) .
Ni2 N5 N4 C6 -172.86(19) .
Ni2 N5 C8 C7 171.9(2) .
Ni2 N5 C8 C9 -6.9(5) .
Ni2 N7 N6 Ni1 6.6(3) .
Ni2 N7 N6 C15 -177.47(19) .
Ni2 N7 C17 C16 177.7(2) .
Ni2 N7 C17 C18 -2.7(4) .
Ni1 N2 C3 O1 -176.9(2) .
Ni1 N2 C3 N1 4.6(5) .
Ni1 N4 C6 C7 175.8(2) .
Ni1 N4 C6 C5 -6.8(5) .
Ni1 N6 C15 C16 174.0(2) .
Ni1 N6 C15 C14 -1.2(5) .
Ni1 N3 C2 O2 -177.1(2) .
Ni1 N3 C2 N1 4.0(5) .
N2 Ni1 N4 N5 118.1(2) .
N2 Ni1 N4 C6 -57.7(3) .
N2 Ni1 N6 N7 109(13) .
N2 Ni1 N6 C15 -66(13) .
N2 Ni1 N3 C2 2.3(3) .
N5 Ni2 N5 N4 172(6) 2_556
N5 Ni2 N5 C8 1(6) 2_556
N5 Ni2 N7 N6 121.1(2) 2_556
N5 Ni2 N7 N6 -58.9(2) .
N5 Ni2 N7 C17 -57.3(3) 2_556
N5 Ni2 N7 C17 122.7(3) .
N5 N4 C6 C7 -0.3(3) .
N5 N4 C6 C5 177.1(3) .
N4 Ni1 N2 C3 176.4(3) .
N4 Ni1 N6 N7 52.7(2) .
N4 Ni1 N6 C15 -122.0(3) .
N4 Ni1 N3 C2 90(3) .
N4 N5 C8 C7 -0.4(3) .
N4 N5 C8 C9 -179.2(3) .
N4 C6 C7 C8 0.1(3) .
N7 Ni2 N5 N4 48.9(2) .
N7 Ni2 N5 N4 -131.1(2) 2_556
N7 Ni2 N5 C8 -122.6(3) .
N7 Ni2 N5 C8 57.4(3) 2_556
N7 Ni2 N7 N6 -104(14) 2_556
N7 Ni2 N7 C17 78(14) 2_556
N7 N6 C15 C16 -1.2(3) .
N7 N6 C15 C14 -176.3(3) .
N7 C17 C16 C15 0.1(3) .
N6 Ni1 N2 C3 120(13) .
N6 Ni1 N4 N5 -62.3(2) .
N6 Ni1 N4 C6 121.9(3) .
N6 Ni1 N3 C2 -177.3(3) .
N6 N7 C17 C16 -0.8(3) .
N6 N7 C17 C18 178.8(3) .
N3 Ni1 N2 C3 -6.2(3) .
N3 Ni1 N4 N5 30(3) .
N3 Ni1 N4 C6 -145(2) .
N3 Ni1 N6 N7 -124.7(2) .
N3 Ni1 N6 C15 60.5(3) .
C2 N1 C3 N2 3.0(5) .
C2 N1 C3 O1 -175.5(3) .
C17 N7 N6 Ni1 -174.65(19) .
C17 N7 N6 C15 1.3(3) .
C17 C16 C15 N6 0.7(3) .
C17 C16 C15 C14 175.4(3) .
C3 N1 C2 O2 173.7(3) .
C3 N1 C2 N3 -7.4(5) .
C6 C7 C8 N5 0.2(3) .
C6 C7 C8 C9 178.9(3) .
C18 C17 C16 C15 -179.4(3) .
C8 N5 N4 Ni1 -176.31(19) .
C8 N5 N4 C6 0.4(3) .
C5 C6 C7 C8 -177.1(3) .
C4 O2 C2 N1 -6.1(4) .
C4 O2 C2 N3 174.9(3) .
C1 O1 C3 N2 178.9(3) .
C1 O1 C3 N1 -2.4(5) .
