#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:27:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180394 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/63/7206314.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_7206314
loop_
_publ_author_name
'Ma, Lu-Fang'
'Li, Xiu-Qin'
'Wang, Li-Ya'
'Hou, Hong-Wei'
_publ_section_title
;
 Syntheses and characterization of nickel(ii) and cobalt(ii)
 coordination polymers based on 5-bromoisophthalate anion and
 bis(imidazole) ligands
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              4625
_journal_paper_doi               10.1039/c1ce05308f
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C17 H17 Br N4 Ni O5'
_chemical_formula_weight         495.97
_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                108.3960(10)
_cell_angle_beta                 106.2630(10)
_cell_angle_gamma                102.9210(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7514(13)
_cell_length_b                   10.1430(14)
_cell_length_c                   11.2886(16)
_cell_measurement_reflns_used    2865
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.19
_cell_measurement_theta_min      2.44
_cell_volume                     955.6(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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7345
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.143
_exptl_absorpt_correction_T_max  0.8100
_exptl_absorpt_correction_T_min  0.5317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.317
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3532
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0279
_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)+(0.0255P)²+0.6929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0650
_reflns_number_gt                2966
_reflns_number_total             3532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05308f.txt
_cod_data_source_block           c
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206314
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 0.50219(4) 0.93746(3) -0.29642(3) 0.02300(10) Uani 1 1 d . . .
N1 N 0.7039(3) 1.0548(2) -0.1294(2) 0.0293(5) Uani 1 1 d . . .
N2 N 0.8739(3) 1.1342(2) 0.0769(2) 0.0316(5) Uani 1 1 d . . .
N3 N 1.1341(3) 1.5931(3) 0.3725(2) 0.0387(6) Uani 1 1 d . . .
N4 N 1.3011(3) 1.8012(2) 0.5370(2) 0.0313(5) Uani 1 1 d . . .
O1 O 0.4706(2) 0.77672(19) -0.22659(19) 0.0308(4) Uani 1 1 d . . .
O2 O 0.5863(3) 0.6372(2) -0.3283(2) 0.0413(5) Uani 1 1 d . . .
O3 O 0.4888(2) 0.12710(19) -0.33762(18) 0.0286(4) Uani 1 1 d . . .
O4 O 0.3917(2) 0.07222(19) -0.19845(19) 0.0307(4) Uani 1 1 d . . .
O5 O 0.6295(2) 0.8651(2) -0.40680(18) 0.0312(4) Uani 1 1 d D . .
H1W H 0.5870 0.8515 -0.4856 0.047 Uiso 1 1 d RD . .
H2W H 0.6259 0.7861 -0.3983 0.047 Uiso 1 1 d RD . .
C1 C 0.4415(3) 0.5462(3) -0.2151(3) 0.0241(6) Uani 1 1 d . . .
C2 C 0.4579(3) 0.4087(3) -0.2580(3) 0.0243(6) Uani 1 1 d . . .
H2 H 0.5097 0.3874 -0.3154 0.029 Uiso 1 1 calc R . .
C3 C 0.3970(3) 0.3018(3) -0.2156(2) 0.0230(6) Uani 1 1 d . . .
C4 C 0.3178(3) 0.3329(3) -0.1311(3) 0.0250(6) Uani 1 1 d . . .
H4 H 0.2765 0.2626 -0.1025 0.030 Uiso 1 1 calc R . .
C5 C 0.3015(3) 0.4702(3) -0.0904(3) 0.0253(6) Uani 1 1 d . . .
C6 C 0.3631(3) 0.5769(3) -0.1304(3) 0.0266(6) Uani 1 1 d . . .
H6 H 0.3520 0.6691 -0.1008 0.032 Uiso 1 1 calc R . .
C7 C 0.5078(3) 0.6629(3) -0.2599(3) 0.0266(6) Uani 1 1 d . . .
C8 C 0.4261(3) 0.1583(3) -0.2533(3) 0.0236(6) Uani 1 1 d . . .
C9 C 0.8474(4) 1.1066(3) -0.1283(3) 0.0369(7) Uani 1 1 d . . .
H9 H 0.8687 1.1087 -0.2032 0.044 Uiso 1 1 calc R . .
C10 C 0.9527(4) 1.1540(3) -0.0031(3) 0.0385(7) Uani 1 1 d . . .
H10 H 1.0576 1.1925 0.0236 0.046 Uiso 1 1 calc R . .
C11 C 0.7252(3) 1.0738(3) -0.0038(3) 0.0316(7) Uani 1 1 d . . .
H11 H 0.6471 1.0487 0.0257 0.038 Uiso 1 1 calc R . .
C12 C 0.9390(4) 1.1716(3) 0.2226(3) 0.0422(8) Uani 1 1 d . . .
H12A H 1.0318 1.1484 0.2435 0.051 Uiso 1 1 calc R . .
H12B H 0.8680 1.1107 0.2457 0.051 Uiso 1 1 calc R . .
C13 C 0.9744(4) 1.3345(4) 0.3092(3) 0.0470(8) Uani 1 1 d . . .
H13A H 0.8800 1.3549 0.2965 0.056 Uiso 1 1 calc R . .
H13B H 1.0217 1.3531 0.4035 0.056 Uiso 1 1 calc R . .
C14 C 1.0771(4) 1.4366(3) 0.2756(3) 0.0445(8) Uani 1 1 d . . .
H14A H 1.1632 1.4048 0.2727 0.053 Uiso 1 1 calc R . .
H14B H 1.0228 1.4298 0.1863 0.053 Uiso 1 1 calc R . .
C15 C 1.0678(4) 1.6994(4) 0.3774(3) 0.0497(9) Uani 1 1 d . . .
H15 H 0.9707 1.6868 0.3225 0.060 Uiso 1 1 calc R . .
C16 C 1.1726(4) 1.8269(3) 0.4786(3) 0.0428(8) Uani 1 1 d . . .
H16 H 1.1589 1.9181 0.5043 0.051 Uiso 1 1 calc R . .
C17 C 1.2729(4) 1.6590(3) 0.4697(3) 0.0353(7) Uani 1 1 d . . .
H17 H 1.3415 1.6106 0.4879 0.042 Uiso 1 1 calc R . .
Br1 Br 0.19094(4) 0.51523(3) 0.02190(3) 0.03922(10) Uani 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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
O1 Ni1 N1 88.08(8) . . ?
O1 Ni1 O5 98.28(7) . . ?
N1 Ni1 O5 88.06(8) . . ?
O1 Ni1 N4 87.12(8) . 1_444 ?
N1 Ni1 N4 174.66(9) . 1_444 ?
O5 Ni1 N4 90.33(8) . 1_444 ?
O1 Ni1 O3 161.50(7) . 1_565 ?
N1 Ni1 O3 93.88(8) . 1_565 ?
O5 Ni1 O3 100.16(7) . 1_565 ?
N4 Ni1 O3 91.41(8) 1_444 1_565 ?
O1 Ni1 O4 100.07(7) . 1_565 ?
N1 Ni1 O4 89.86(8) . 1_565 ?
O5 Ni1 O4 161.45(7) . 1_565 ?
N4 Ni1 O4 93.27(8) 1_444 1_565 ?
O3 Ni1 O4 61.59(7) 1_565 1_565 ?
O1 Ni1 C8 130.80(8) . 1_565 ?
N1 Ni1 C8 90.62(9) . 1_565 ?
O5 Ni1 C8 130.83(8) . 1_565 ?
N4 Ni1 C8 94.29(9) 1_444 1_565 ?
O3 Ni1 C8 30.92(7) 1_565 1_565 ?
O4 Ni1 C8 30.73(7) 1_565 1_565 ?
C11 N1 C9 105.0(2) . . ?
C11 N1 Ni1 126.7(2) . . ?
C9 N1 Ni1 127.42(19) . . ?
C11 N2 C10 106.7(2) . . ?
C11 N2 C12 126.6(3) . . ?
C10 N2 C12 126.7(3) . . ?
C17 N3 C15 106.8(2) . . ?
C17 N3 C14 123.3(3) . . ?
C15 N3 C14 129.7(3) . . ?
C17 N4 C16 105.2(2) . . ?
C17 N4 Ni1 122.7(2) . 1_666 ?
C16 N4 Ni1 131.92(19) . 1_666 ?
C7 O1 Ni1 126.16(17) . . ?
C8 O3 Ni1 88.76(14) . 1_545 ?
C8 O4 Ni1 88.45(15) . 1_545 ?
Ni1 O5 H1W 109.5 . . ?
Ni1 O5 H2W 100.0 . . ?
H1W O5 H2W 111.9 . . ?
C6 C1 C2 119.6(2) . . ?
C6 C1 C7 119.7(2) . . ?
C2 C1 C7 120.8(2) . . ?
C1 C2 C3 120.4(2) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 119.8(2) . . ?
C4 C3 C8 120.0(2) . . ?
C2 C3 C8 120.0(2) . . ?
C5 C4 C3 118.9(2) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C6 C5 C4 121.6(2) . . ?
C6 C5 Br1 118.32(19) . . ?
C4 C5 Br1 120.1(2) . . ?
C5 C6 C1 119.7(2) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
O2 C7 O1 126.5(2) . . ?
O2 C7 C1 118.8(2) . . ?
O1 C7 C1 114.6(2) . . ?
O4 C8 O3 120.9(2) . . ?
O4 C8 C3 119.8(2) . . ?
O3 C8 C3 119.3(2) . . ?
O4 C8 Ni1 60.82(13) . 1_545 ?
O3 C8 Ni1 60.32(13) . 1_545 ?
C3 C8 Ni1 173.73(19) . 1_545 ?
C10 C9 N1 110.2(3) . . ?
C10 C9 H9 124.9 . . ?
N1 C9 H9 124.9 . . ?
C9 C10 N2 106.2(3) . . ?
C9 C10 H10 126.9 . . ?
N2 C10 H10 126.9 . . ?
N1 C11 N2 111.8(3) . . ?
N1 C11 H11 124.1 . . ?
N2 C11 H11 124.1 . . ?
N2 C12 C13 113.1(3) . . ?
N2 C12 H12A 109.0 . . ?
C13 C12 H12A 109.0 . . ?
N2 C12 H12B 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C14 C13 C12 112.7(3) . . ?
C14 C13 H13A 109.1 . . ?
C12 C13 H13A 109.1 . . ?
C14 C13 H13B 109.1 . . ?
C12 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
N3 C14 C13 113.7(3) . . ?
N3 C14 H14A 108.8 . . ?
C13 C14 H14A 108.8 . . ?
N3 C14 H14B 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 N3 106.2(3) . . ?
C16 C15 H15 126.9 . . ?
N3 C15 H15 126.9 . . ?
C15 C16 N4 109.8(3) . . ?
C15 C16 H16 125.1 . . ?
N4 C16 H16 125.1 . . ?
N4 C17 N3 112.0(3) . . ?
N4 C17 H17 124.0 . . ?
N3 C17 H17 124.0 . . ?
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 O1 2.0240(18) . ?
Ni1 N1 2.074(2) . ?
Ni1 O5 2.0808(18) . ?
Ni1 N4 2.091(2) 1_444 ?
Ni1 O3 2.1394(17) 1_565 ?
Ni1 O4 2.1503(19) 1_565 ?
Ni1 C8 2.462(2) 1_565 ?
N1 C11 1.317(3) . ?
N1 C9 1.376(4) . ?
N2 C11 1.349(4) . ?
N2 C10 1.371(4) . ?
N2 C12 1.472(4) . ?
N3 C17 1.336(4) . ?
N3 C15 1.370(4) . ?
N3 C14 1.481(4) . ?
N4 C17 1.322(3) . ?
N4 C16 1.365(4) . ?
N4 Ni1 2.091(2) 1_666 ?
O1 C7 1.263(3) . ?
O2 C7 1.243(3) . ?
O3 C8 1.265(3) . ?
O3 Ni1 2.1394(17) 1_545 ?
O4 C8 1.259(3) . ?
O4 Ni1 2.1503(19) 1_545 ?
O5 H1W 0.8200 . ?
O5 H2W 0.8311 . ?
C1 C6 1.387(4) . ?
C1 C2 1.386(3) . ?
C1 C7 1.514(4) . ?
C2 C3 1.398(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(4) . ?
C3 C8 1.498(3) . ?
C4 C5 1.382(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(4) . ?
C5 Br1 1.897(3) . ?
C6 H6 0.9300 . ?
C8 Ni1 2.462(2) 1_545 ?
C9 C10 1.349(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.530(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.489(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.359(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
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
O5 H1W O3 0.82 2.02 2.825(3) 165.5 2_664
O5 H2W O2 0.83 1.93 2.715(3) 157.8 .
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
O1 Ni1 N1 C11 -44.1(2) . . . . ?
O5 Ni1 N1 C11 -142.5(2) . . . . ?
N4 Ni1 N1 C11 -70.1(10) 1_444 . . . ?
O3 Ni1 N1 C11 117.4(2) 1_565 . . . ?
O4 Ni1 N1 C11 55.9(2) 1_565 . . . ?
C8 Ni1 N1 C11 86.7(2) 1_565 . . . ?
O1 Ni1 N1 C9 123.6(2) . . . . ?
O5 Ni1 N1 C9 25.2(2) . . . . ?
N4 Ni1 N1 C9 97.6(10) 1_444 . . . ?
O3 Ni1 N1 C9 -74.9(2) 1_565 . . . ?
O4 Ni1 N1 C9 -136.4(2) 1_565 . . . ?
C8 Ni1 N1 C9 -105.6(2) 1_565 . . . ?
N1 Ni1 O1 C7 -94.5(2) . . . . ?
O5 Ni1 O1 C7 -6.8(2) . . . . ?
N4 Ni1 O1 C7 83.1(2) 1_444 . . . ?
O3 Ni1 O1 C7 169.0(2) 1_565 . . . ?
O4 Ni1 O1 C7 176.0(2) 1_565 . . . ?
C8 Ni1 O1 C7 176.3(2) 1_565 . . . ?
C6 C1 C2 C3 -0.5(4) . . . . ?
C7 C1 C2 C3 179.7(2) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
C1 C2 C3 C8 -175.0(2) . . . . ?
C2 C3 C4 C5 -0.2(4) . . . . ?
C8 C3 C4 C5 175.6(2) . . . . ?
C3 C4 C5 C6 -0.6(4) . . . . ?
C3 C4 C5 Br1 178.76(19) . . . . ?
C4 C5 C6 C1 0.9(4) . . . . ?
Br1 C5 C6 C1 -178.5(2) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
C7 C1 C6 C5 179.5(2) . . . . ?
Ni1 O1 C7 O2 9.3(4) . . . . ?
Ni1 O1 C7 C1 -167.72(16) . . . . ?
C6 C1 C7 O2 175.3(3) . . . . ?
C2 C1 C7 O2 -4.9(4) . . . . ?
C6 C1 C7 O1 -7.5(4) . . . . ?
C2 C1 C7 O1 172.3(2) . . . . ?
Ni1 O4 C8 O3 5.3(3) 1_545 . . . ?
Ni1 O4 C8 C3 -172.8(2) 1_545 . . . ?
Ni1 O3 C8 O4 -5.3(3) 1_545 . . . ?
Ni1 O3 C8 C3 172.8(2) 1_545 . . . ?
C4 C3 C8 O4 -6.8(4) . . . . ?
C2 C3 C8 O4 169.0(2) . . . . ?
C4 C3 C8 O3 175.1(2) . . . . ?
C2 C3 C8 O3 -9.1(4) . . . . ?
C4 C3 C8 Ni1 -100.6(17) . . . 1_545 ?
C2 C3 C8 Ni1 75.2(17) . . . 1_545 ?
C11 N1 C9 C10 0.8(3) . . . . ?
Ni1 N1 C9 C10 -169.01(19) . . . . ?
N1 C9 C10 N2 -1.0(3) . . . . ?
C11 N2 C10 C9 0.9(3) . . . . ?
C12 N2 C10 C9 -179.0(3) . . . . ?
C9 N1 C11 N2 -0.3(3) . . . . ?
Ni1 N1 C11 N2 169.66(17) . . . . ?
C10 N2 C11 N1 -0.4(3) . . . . ?
C12 N2 C11 N1 179.5(2) . . . . ?
C11 N2 C12 C13 -97.1(3) . . . . ?
C10 N2 C12 C13 82.8(4) . . . . ?
N2 C12 C13 C14 -55.8(4) . . . . ?
C17 N3 C14 C13 100.8(4) . . . . ?
C15 N3 C14 C13 -84.5(4) . . . . ?
C12 C13 C14 N3 -170.2(3) . . . . ?
C17 N3 C15 C16 0.5(4) . . . . ?
C14 N3 C15 C16 -174.8(3) . . . . ?
N3 C15 C16 N4 -0.6(4) . . . . ?
C17 N4 C16 C15 0.5(4) . . . . ?
Ni1 N4 C16 C15 -175.6(2) 1_666 . . . ?
C16 N4 C17 N3 -0.2(3) . . . . ?
Ni1 N4 C17 N3 176.37(19) 1_666 . . . ?
C15 N3 C17 N4 -0.2(4) . . . . ?
C14 N3 C17 N4 175.5(3) . . . . ?
