#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:20:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179838 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013471.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_7013471
loop_
_publ_author_name
'Herrera, Aida M.'
'Kalayda, Ganna V.'
'Disch, Jeremy S.'
'Wikstrom, Jeffrey P.'
'Korendovych, Ivan V.'
'Staples, Richard J.'
'Campana, Charles F.'
'Nazarenko, Alexander Y.'
'Haas, Terry E.'
'Rybak-Akimova, Elena V.'
_publ_section_title
;
 Reactions at the azomethine C?N bonds in the nickel(ii) and copper(ii)
 complexes of pyridine-containing Schiff-base macrocyclic
 ligandsElectronic supplementary information (ESI) available: Figs.
 S1?S5: MALDI mass spectra, UV-Vis traces and X-ray structures. See
 http://www.rsc.org/suppdata/dt/b3/b308557k/
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4482
_journal_paper_doi               10.1039/b308557k
_journal_year                    2003
_chemical_formula_sum            'C16 H27 Cl2 N5 Ni O9'
_chemical_formula_weight         563.04
_chemical_name_systematic
;
?
;
_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           SHELXL-97
_cell_angle_alpha                95.823(2)
_cell_angle_beta                 96.058(2)
_cell_angle_gamma                115.9010(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6605(12)
_cell_length_b                   9.0147(12)
_cell_length_c                   16.139(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1111.7(3)
_computing_cell_refinement       'SMART (BRUKER, V5.054, 1998)'
_computing_data_collection       'ASTRO (BRUKER, V5.007, 1997)'
_computing_data_reduction        'SAINT (BRUKER, V6.01, 1999)'
_computing_molecular_graphics    'SHELXTL (BRUKER, 1998, V5.1)'
_computing_publication_material  'XCIF (Sheldrick and BRUKER, 1997, V5.1)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.866
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_method       'ω, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6979
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.173
_exptl_absorpt_correction_T_max  0.942200
_exptl_absorpt_correction_T_min  0.620323
_exptl_absorpt_correction_type   'Emprical, SADABS'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0898P)²+0.8856P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1354
_refine_ls_wR_factor_ref         0.1455
_reflns_number_gt                3941
_reflns_number_total             4491
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b308557k.txt
_cod_data_source_block           NiL5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013471
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.67204(5) 0.90914(4) 0.74332(3) 0.03724(15) Uani 1 1 d . . .
O9 O 0.2293(3) 0.5424(4) 0.81726(17) 0.0581(7) Uani 1 1 d . . .
H9C H 0.2243 0.4752 0.8488 0.087 Uiso 1 1 calc R . .
N1 N 0.5571(4) 0.9570(3) 0.83523(17) 0.0423(6) Uani 1 1 d . . .
N4 N 0.4587(3) 0.6700(3) 0.73885(16) 0.0374(5) Uani 1 1 d . . .
N2 N 0.7744(4) 1.1642(3) 0.7566(2) 0.0480(7) Uani 1 1 d . . .
N3 N 0.7036(3) 0.8638(3) 0.62094(18) 0.0411(6) Uani 1 1 d . . .
N5 N 0.8838(4) 0.8922(4) 0.7970(2) 0.0517(7) Uani 1 1 d . . .
H5C H 0.9795 0.9862 0.7942 0.062 Uiso 1 1 calc R . .
H5D H 0.8782 0.8856 0.8520 0.062 Uiso 1 1 calc R . .
C10 C 0.4241(5) 0.8327(4) 0.8578(2) 0.0449(7) Uani 1 1 d . . .
C11 C 0.3174(5) 0.8634(6) 0.9072(2) 0.0556(9) Uani 1 1 d . . .
H11 H 0.2244 0.7762 0.9232 0.067 Uiso 1 1 calc R . .
C12 C 0.3533(6) 1.0287(6) 0.9322(2) 0.0625(11) Uani 1 1 d . . .
H12 H 0.2843 1.0532 0.9662 0.075 Uiso 1 1 calc R . .
C13 C 0.4901(6) 1.1572(5) 0.9073(2) 0.0581(10) Uani 1 1 d . . .
H13 H 0.5139 1.2679 0.9239 0.070 Uiso 1 1 calc R . .
C1 C 0.5905(5) 1.1177(4) 0.8574(2) 0.0496(8) Uani 1 1 d . . .
C9 C 0.4021(4) 0.6604(4) 0.8223(2) 0.0452(7) Uani 1 1 d . . .
H9 H 0.4770 0.6312 0.8601 0.054 Uiso 1 1 calc R . .
C2 C 0.7248(5) 1.2307(4) 0.8144(3) 0.0534(9) Uani 1 1 d . . .
H2 H 0.7716 1.3462 0.8289 0.064 Uiso 1 1 calc R . .
C8 C 0.3265(4) 0.6674(4) 0.6709(2) 0.0386(6) Uani 1 1 d . . .
H8A H 0.3119 0.7678 0.6828 0.046 Uiso 1 1 calc R . .
H8B H 0.2155 0.5720 0.6708 0.046 Uiso 1 1 calc R . .
C7 C 0.3776(4) 0.6576(4) 0.5846(2) 0.0413(7) Uani 1 1 d . . .
H7A H 0.2769 0.6323 0.5426 0.050 Uiso 1 1 calc R . .
H7B H 0.4049 0.5642 0.5765 0.050 Uiso 1 1 calc R . .
C6 C 0.5306(4) 0.8118(4) 0.5665(2) 0.0422(7) Uani 1 1 d . . .
H6A H 0.5429 0.7910 0.5080 0.051 Uiso 1 1 calc R . .
H6B H 0.5023 0.9048 0.5727 0.051 Uiso 1 1 calc R . .
C3 C 0.8926(5) 1.2627(4) 0.7024(3) 0.0575(10) Uani 1 1 d . . .
H3A H 1.0081 1.2728 0.7194 0.069 Uiso 1 1 calc R . .
H3B H 0.9009 1.3742 0.7083 0.069 Uiso 1 1 calc R . .
C4 C 0.8256(5) 1.1788(4) 0.6122(3) 0.0571(9) Uani 1 1 d . . .
H4A H 0.8912 1.2554 0.5764 0.069 Uiso 1 1 calc R . .
H4B H 0.7051 1.1571 0.5985 0.069 Uiso 1 1 calc R . .
C5 C 0.8360(5) 1.0139(4) 0.5909(3) 0.0530(8) Uani 1 1 d . . .
H5A H 0.8239 0.9881 0.5301 0.064 Uiso 1 1 calc R . .
H5B H 0.9512 1.0310 0.6150 0.064 Uiso 1 1 calc R . .
C16 C 0.9018(5) 0.7459(5) 0.7568(3) 0.0572(10) Uani 1 1 d . . .
H16A H 0.8008 0.6440 0.7615 0.069 Uiso 1 1 calc R . .
H16B H 1.0038 0.7439 0.7868 0.069 Uiso 1 1 calc R . .
C15 C 0.9185(5) 0.7503(5) 0.6651(3) 0.0596(10) Uani 1 1 d . . .
H15A H 0.9497 0.6636 0.6451 0.072 Uiso 1 1 calc R . .
H15B H 1.0136 0.8569 0.6608 0.072 Uiso 1 1 calc R . .
C14 C 0.7565(5) 0.7268(4) 0.6065(3) 0.0506(8) Uani 1 1 d . . .
H14A H 0.7766 0.7163 0.5486 0.061 Uiso 1 1 calc R . .
H14B H 0.6602 0.6225 0.6125 0.061 Uiso 1 1 calc R . .
Cl1 Cl 0.35326(10) 0.21599(9) 0.67642(6) 0.0477(2) Uani 1 1 d . . .
O1 O 0.3747(4) 0.0752(4) 0.6445(2) 0.0768(9) Uani 1 1 d . . .
O2 O 0.5180(4) 0.3556(4) 0.7054(3) 0.1057(16) Uani 1 1 d . . .
O3 O 0.2562(4) 0.2551(4) 0.61261(18) 0.0605(7) Uani 1 1 d . . .
O4 O 0.2561(5) 0.1760(5) 0.7441(2) 0.0816(10) Uani 1 1 d . . .
Cl2 Cl 0.15019(13) 0.31851(13) 0.99676(7) 0.0590(3) Uani 1 1 d . . .
O5 O 0.1748(9) 0.2817(8) 0.9039(4) 0.0652(15) Uani 0.50 1 d P A 1
O5B O 0.3022(16) 0.4230(16) 0.9718(8) 0.141(4) Uani 0.50 1 d P A 2
O6 O 0.170(2) 0.4765(14) 1.0040(7) 0.152(6) Uani 0.50 1 d P A 1
O6B O 0.1069(13) 0.4231(11) 1.0599(7) 0.105(3) Uani 0.50 1 d P A 2
O7 O 0.2321(9) 0.2551(9) 1.0496(3) 0.143(2) Uani 1 1 d . A .
O8 O -0.0064(10) 0.2097(11) 0.9623(7) 0.247(5) Uani 1 1 d . A .
H4C H 0.468(5) 0.575(5) 0.724(2) 0.048(10) 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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ni1 N5 107.88(13) . . ?
N1 Ni1 N3 156.00(11) . . ?
N5 Ni1 N3 96.12(13) . . ?
N1 Ni1 N2 78.80(12) . . ?
N5 Ni1 N2 98.96(11) . . ?
N3 Ni1 N2 98.09(12) . . ?
N1 Ni1 N4 78.77(11) . . ?
N5 Ni1 N4 105.48(11) . . ?
N3 Ni1 N4 94.89(10) . . ?
N2 Ni1 N4 150.86(11) . . ?
C10 N1 C1 121.6(3) . . ?
C10 N1 Ni1 119.7(2) . . ?
C1 N1 Ni1 116.7(3) . . ?
C9 N4 C8 113.0(2) . . ?
C9 N4 Ni1 108.84(19) . . ?
C8 N4 Ni1 102.49(18) . . ?
C2 N2 C3 122.4(3) . . ?
C2 N2 Ni1 114.8(3) . . ?
C3 N2 Ni1 122.8(2) . . ?
C14 N3 C6 109.0(3) . . ?
C14 N3 C5 107.0(3) . . ?
C6 N3 C5 107.4(3) . . ?
C14 N3 Ni1 112.3(2) . . ?
C6 N3 Ni1 106.80(19) . . ?
C5 N3 Ni1 114.2(2) . . ?
C16 N5 Ni1 113.7(2) . . ?
N1 C10 C11 121.1(3) . . ?
N1 C10 C9 113.6(3) . . ?
C11 C10 C9 125.3(4) . . ?
C10 C11 C12 117.8(4) . . ?
C13 C12 C11 120.7(4) . . ?
C1 C13 C12 118.5(4) . . ?
N1 C1 C13 120.3(4) . . ?
N1 C1 C2 112.1(3) . . ?
C13 C1 C2 127.3(3) . . ?
O9 C9 N4 112.4(3) . . ?
O9 C9 C10 109.7(3) . . ?
N4 C9 C10 107.5(3) . . ?
N2 C2 C1 117.2(3) . . ?
N4 C8 C7 112.2(3) . . ?
C8 C7 C6 117.2(3) . . ?
N3 C6 C7 116.2(3) . . ?
N2 C3 C4 109.7(3) . . ?
C3 C4 C5 115.0(3) . . ?
N3 C5 C4 116.4(3) . . ?
N5 C16 C15 112.3(3) . . ?
C16 C15 C14 115.7(3) . . ?
N3 C14 C15 115.6(3) . . ?
O1 Cl1 O2 110.1(2) . . ?
O1 Cl1 O4 108.5(2) . . ?
O2 Cl1 O4 110.3(3) . . ?
O1 Cl1 O3 110.5(2) . . ?
O2 Cl1 O3 109.7(2) . . ?
O4 Cl1 O3 107.65(19) . . ?
O8 Cl2 O6 112.1(8) . . ?
O8 Cl2 O7 113.0(6) . . ?
O6 Cl2 O7 127.8(6) . . ?
O8 Cl2 O5B 138.3(8) . . ?
O6 Cl2 O5B 68.9(9) . . ?
O7 Cl2 O5B 93.2(6) . . ?
O8 Cl2 O6B 99.1(6) . . ?
O6 Cl2 O6B 46.8(6) . . ?
O7 Cl2 O6B 100.8(5) . . ?
O5B Cl2 O6B 107.5(7) . . ?
O8 Cl2 O5 78.7(6) . . ?
O6 Cl2 O5 103.0(6) . . ?
O7 Cl2 O5 110.4(3) . . ?
O5B Cl2 O5 61.5(6) . . ?
O6B Cl2 O5 147.0(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N1 1.983(3) . ?
Ni1 N5 2.018(3) . ?
Ni1 N3 2.047(3) . ?
Ni1 N2 2.049(3) . ?
Ni1 N4 2.127(3) . ?
O9 C9 1.394(4) . ?
N1 C10 1.326(5) . ?
N1 C1 1.348(4) . ?
N4 C9 1.480(4) . ?
N4 C8 1.491(4) . ?
N2 C2 1.268(5) . ?
N2 C3 1.469(5) . ?
N3 C14 1.500(4) . ?
N3 C6 1.504(4) . ?
N3 C5 1.508(4) . ?
N5 C16 1.487(5) . ?
C10 C11 1.378(5) . ?
C10 C9 1.521(5) . ?
C11 C12 1.389(6) . ?
C12 C13 1.380(7) . ?
C13 C1 1.376(6) . ?
C1 C2 1.466(6) . ?
C8 C7 1.512(5) . ?
C7 C6 1.525(4) . ?
C3 C4 1.497(6) . ?
C4 C5 1.534(5) . ?
C16 C15 1.505(6) . ?
C15 C14 1.525(5) . ?
Cl1 O1 1.415(3) . ?
Cl1 O2 1.417(3) . ?
Cl1 O4 1.429(4) . ?
Cl1 O3 1.429(3) . ?
Cl2 O8 1.296(7) . ?
Cl2 O6 1.350(9) . ?
Cl2 O7 1.372(5) . ?
Cl2 O5B 1.374(9) . ?
Cl2 O6B 1.504(8) . ?
Cl2 O5 1.559(6) . ?
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
_geom_torsion_publ_flag
N5 Ni1 N1 C10 -96.7(2) . . . . ?
N3 Ni1 N1 C10 82.7(4) . . . . ?
N2 Ni1 N1 C10 167.4(3) . . . . ?
N4 Ni1 N1 C10 6.1(2) . . . . ?
N5 Ni1 N1 C1 99.1(2) . . . . ?
N3 Ni1 N1 C1 -81.5(3) . . . . ?
N2 Ni1 N1 C1 3.2(2) . . . . ?
N4 Ni1 N1 C1 -158.1(2) . . . . ?
N1 Ni1 N4 C9 -23.8(2) . . . . ?
N5 Ni1 N4 C9 81.8(2) . . . . ?
N3 Ni1 N4 C9 179.6(2) . . . . ?
N2 Ni1 N4 C9 -64.1(3) . . . . ?
N1 Ni1 N4 C8 96.1(2) . . . . ?
N5 Ni1 N4 C8 -158.3(2) . . . . ?
N3 Ni1 N4 C8 -60.5(2) . . . . ?
N2 Ni1 N4 C8 55.8(3) . . . . ?
N1 Ni1 N2 C2 1.6(2) . . . . ?
N5 Ni1 N2 C2 -105.0(3) . . . . ?
N3 Ni1 N2 C2 157.5(2) . . . . ?
N4 Ni1 N2 C2 41.9(4) . . . . ?
N1 Ni1 N2 C3 -176.9(3) . . . . ?
N5 Ni1 N2 C3 76.5(3) . . . . ?
N3 Ni1 N2 C3 -21.1(3) . . . . ?
N4 Ni1 N2 C3 -136.6(3) . . . . ?
N1 Ni1 N3 C14 -137.7(3) . . . . ?
N5 Ni1 N3 C14 41.7(2) . . . . ?
N2 Ni1 N3 C14 141.7(2) . . . . ?
N4 Ni1 N3 C14 -64.5(2) . . . . ?
N1 Ni1 N3 C6 -18.3(4) . . . . ?
N5 Ni1 N3 C6 161.11(19) . . . . ?
N2 Ni1 N3 C6 -98.90(19) . . . . ?
N4 Ni1 N3 C6 54.94(19) . . . . ?
N1 Ni1 N3 C5 100.3(3) . . . . ?
N5 Ni1 N3 C5 -80.3(2) . . . . ?
N2 Ni1 N3 C5 19.7(2) . . . . ?
N4 Ni1 N3 C5 173.5(2) . . . . ?
N1 Ni1 N5 C16 134.2(3) . . . . ?
N3 Ni1 N5 C16 -45.6(3) . . . . ?
N2 Ni1 N5 C16 -144.8(3) . . . . ?
N4 Ni1 N5 C16 51.2(3) . . . . ?
C1 N1 C10 C11 -2.0(5) . . . . ?
Ni1 N1 C10 C11 -165.4(2) . . . . ?
C1 N1 C10 C9 176.6(3) . . . . ?
Ni1 N1 C10 C9 13.1(3) . . . . ?
N1 C10 C11 C12 0.3(5) . . . . ?
C9 C10 C11 C12 -178.1(3) . . . . ?
C10 C11 C12 C13 0.8(5) . . . . ?
C11 C12 C13 C1 -0.3(5) . . . . ?
C10 N1 C1 C13 2.6(5) . . . . ?
Ni1 N1 C1 C13 166.5(3) . . . . ?
C10 N1 C1 C2 -170.7(3) . . . . ?
Ni1 N1 C1 C2 -6.8(3) . . . . ?
C12 C13 C1 N1 -1.4(5) . . . . ?
C12 C13 C1 C2 170.7(3) . . . . ?
C8 N4 C9 O9 43.3(4) . . . . ?
Ni1 N4 C9 O9 156.4(2) . . . . ?
C8 N4 C9 C10 -77.5(3) . . . . ?
Ni1 N4 C9 C10 35.6(3) . . . . ?
N1 C10 C9 O9 -155.0(3) . . . . ?
C11 C10 C9 O9 23.4(4) . . . . ?
N1 C10 C9 N4 -32.6(3) . . . . ?
C11 C10 C9 N4 145.9(3) . . . . ?
C3 N2 C2 C1 172.8(3) . . . . ?
Ni1 N2 C2 C1 -5.8(4) . . . . ?
N1 C1 C2 N2 8.3(4) . . . . ?
C13 C1 C2 N2 -164.4(3) . . . . ?
C9 N4 C8 C7 -173.5(3) . . . . ?
Ni1 N4 C8 C7 69.5(3) . . . . ?
N4 C8 C7 C6 -69.9(4) . . . . ?
C14 N3 C6 C7 62.8(4) . . . . ?
C5 N3 C6 C7 178.3(3) . . . . ?
Ni1 N3 C6 C7 -58.8(3) . . . . ?
C8 C7 C6 N3 62.4(4) . . . . ?
C2 N2 C3 C4 -134.4(3) . . . . ?
Ni1 N2 C3 C4 44.0(4) . . . . ?
N2 C3 C4 C5 -69.5(4) . . . . ?
C14 N3 C5 C4 -170.6(3) . . . . ?
C6 N3 C5 C4 72.5(4) . . . . ?
Ni1 N3 C5 C4 -45.7(4) . . . . ?
C3 C4 C5 N3 75.1(4) . . . . ?
Ni1 N5 C16 C15 60.6(4) . . . . ?
N5 C16 C15 C14 -67.9(4) . . . . ?
C6 N3 C14 C15 -172.6(3) . . . . ?
C5 N3 C14 C15 71.5(4) . . . . ?
Ni1 N3 C14 C15 -54.5(4) . . . . ?
C16 C15 C14 N3 66.0(4) . . . . ?
