#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:55:33 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179135 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/97/4309774.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_4309774
loop_
_publ_author_name
'Fu-Chen Liu'
'Yong-Fei Zeng'
'Jian-Rong Li'
'Xian-He Bu'
'Hong-Jie Zhang'
'Joan Ribas'
_publ_section_title
;
Novel 3-D Framework Nickel(II) Complex with Azide, Nicotinic Acid, and
Nicotinate(1-) as Coligands: Hydrothermal Synthesis, Structure, and
Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7298
_journal_page_last               7300
_journal_paper_doi               10.1021/ic051030b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H25 N12 Ni3 O12'
_chemical_formula_weight         993.81
_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                112.066(2)
_cell_angle_beta                 100.134(2)
_cell_angle_gamma                108.468(2)
_cell_formula_units_Z            1
_cell_length_a                   8.6311(11)
_cell_length_b                   11.3015(14)
_cell_length_c                   11.9468(15)
_cell_measurement_reflns_used    2836
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2624
_cell_measurement_theta_min      2.6107
_cell_volume                     965.0(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      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker Smart APEX 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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5279
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.530
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             505
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.874
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         3532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0358
_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)+(0.0636P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                2949
_reflns_number_total             3532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051030bsi20050623_035721.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_database_code               4309774
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 0.5000 0.0000 0.5000 0.01733(16) Uani 1 2 d S . .
Ni2 Ni 0.57072(5) -0.16568(4) 0.71194(3) 0.01825(14) Uani 1 1 d . . .
O1 O 0.5033(3) 0.1976(2) 0.5942(2) 0.0230(5) Uani 1 1 d . . .
O2 O 0.5675(3) 0.3118(2) 0.47763(19) 0.0235(5) Uani 1 1 d . . .
O3 O 0.3016(3) 0.0302(2) 1.0939(2) 0.0228(5) Uani 1 1 d . . .
O4 O 0.0376(4) -0.1295(3) 1.0496(3) 0.0562(9) Uani 1 1 d . . .
O5 O 0.7839(3) -0.1614(3) 0.6505(2) 0.0334(6) Uani 1 1 d . . .
O6 O 1.0359(3) 0.0302(3) 0.7617(3) 0.0461(7) Uani 1 1 d . . .
N1 N 0.5897(3) 0.6748(3) 0.7567(2) 0.0214(6) Uani 1 1 d . . .
N2 N 0.3292(3) -0.2128(3) 0.7469(2) 0.0215(6) Uani 1 1 d . . .
N3 N 1.2355(3) -0.0966(3) 0.4723(2) 0.0228(6) Uani 1 1 d . . .
N4 N 0.5624(4) 0.0033(3) 0.6818(2) 0.0225(6) Uani 1 1 d . . .
N5 N 0.5690(4) 0.0988(3) 0.7753(3) 0.0303(7) Uani 1 1 d . . .
N6 N 0.5752(6) 0.1886(4) 0.8646(3) 0.0612(12) Uani 1 1 d . . .
C1 C 0.5869(4) 0.5569(3) 0.6693(3) 0.0195(7) Uani 1 1 d . . .
H1A H 0.600(4) 0.558(4) 0.597(3) 0.027(9) Uiso 1 1 d . . .
C2 C 0.5708(4) 0.4401(3) 0.6867(3) 0.0212(7) Uani 1 1 d . . .
C3 C 0.5724(6) 0.4509(4) 0.8069(4) 0.0433(11) Uani 1 1 d . . .
H3A H 0.547(6) 0.376(5) 0.813(5) 0.075(17) Uiso 1 1 d . . .
C4 C 0.5876(7) 0.5757(4) 0.9011(4) 0.0522(13) Uani 1 1 d . . .
H4A H 0.595(6) 0.578(5) 0.988(5) 0.085(16) Uiso 1 1 d . . .
C5 C 0.5904(6) 0.6824(4) 0.8711(4) 0.0372(9) Uani 1 1 d . . .
H5A H 0.596(5) 0.762(4) 0.924(4) 0.041(11) Uiso 1 1 d . . .
C6 C 0.5451(4) 0.3038(3) 0.5769(3) 0.0196(7) Uani 1 1 d . . .
C7 C 0.3127(4) -0.1307(3) 0.8549(3) 0.0207(7) Uani 1 1 d . . .
H7A H 0.405(4) -0.041(3) 0.910(3) 0.018(8) Uiso 1 1 d . . .
C8 C 0.1709(4) -0.1707(3) 0.8927(3) 0.0232(7) Uani 1 1 d . . .
C9 C 0.0329(5) -0.3001(4) 0.8107(3) 0.0343(9) Uani 1 1 d . . .
H9A H -0.050(7) -0.348(6) 0.851(5) 0.10(2) Uiso 1 1 d . . .
C10 C 0.0452(5) -0.3828(4) 0.6960(3) 0.0419(10) Uani 1 1 d . . .
H10A H -0.050(5) -0.464(4) 0.633(4) 0.052(12) Uiso 1 1 d . . .
C11 C 0.1943(5) -0.3375(4) 0.6688(3) 0.0339(9) Uani 1 1 d . . .
H11A H 0.221(5) -0.389(4) 0.592(4) 0.050(12) Uiso 1 1 d . . .
C12 C 0.1709(4) -0.0810(3) 1.0224(3) 0.0249(7) Uani 1 1 d . . .
C13 C 1.1697(4) -0.0588(3) 0.5666(3) 0.0238(7) Uani 1 1 d . . .
H13A H 1.250(4) 0.028(3) 0.642(3) 0.022(9) Uiso 1 1 d . . .
C14 C 1.0015(4) -0.1323(4) 0.5553(3) 0.0247(7) Uani 1 1 d . . .
C15 C 0.8940(5) -0.2505(4) 0.4404(4) 0.0370(9) Uani 1 1 d . . .
H15A H 0.770(6) -0.302(5) 0.426(4) 0.076(16) Uiso 1 1 d . . .
C16 C 0.9574(5) -0.2876(4) 0.3401(4) 0.0432(10) Uani 1 1 d . . .
H16A H 0.8866 -0.3639 0.2607 0.052 Uiso 1 1 calc R . .
C17 C 1.1283(5) -0.2089(4) 0.3603(3) 0.0317(8) Uani 1 1 d . . .
H17A H 1.173(5) -0.225(4) 0.292(3) 0.032(10) Uiso 1 1 d . . .
C18 C 0.9324(4) -0.0864(4) 0.6637(3) 0.0263(7) 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'
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 O1 180.00(13) 2_656 . ?
O1 Ni1 N3 89.25(9) 2_656 1_455 ?
O1 Ni1 N3 90.75(9) . 1_455 ?
O1 Ni1 N3 90.75(9) 2_656 2_756 ?
O1 Ni1 N3 89.25(9) . 2_756 ?
N3 Ni1 N3 180.000(1) 1_455 2_756 ?
O1 Ni1 N4 92.67(9) 2_656 . ?
O1 Ni1 N4 87.33(9) . . ?
N3 Ni1 N4 89.73(10) 1_455 . ?
N3 Ni1 N4 90.27(10) 2_756 . ?
O1 Ni1 N4 87.33(9) 2_656 2_656 ?
O1 Ni1 N4 92.67(9) . 2_656 ?
N3 Ni1 N4 90.27(10) 1_455 2_656 ?
N3 Ni1 N4 89.73(10) 2_756 2_656 ?
N4 Ni1 N4 180.0 . 2_656 ?
O2 Ni2 O3 175.57(9) 2_656 2_657 ?
O2 Ni2 O5 82.93(9) 2_656 . ?
O3 Ni2 O5 99.80(9) 2_657 . ?
O2 Ni2 N4 93.60(9) 2_656 . ?
O3 Ni2 N4 89.74(9) 2_657 . ?
O5 Ni2 N4 93.24(10) . . ?
O2 Ni2 N1 90.65(9) 2_656 1_545 ?
O3 Ni2 N1 86.02(9) 2_657 1_545 ?
O5 Ni2 N1 87.25(10) . 1_545 ?
N4 Ni2 N1 175.75(10) . 1_545 ?
O2 Ni2 N2 87.51(9) 2_656 . ?
O3 Ni2 N2 89.40(9) 2_657 . ?
O5 Ni2 N2 168.66(10) . . ?
N4 Ni2 N2 93.42(10) . . ?
N1 Ni2 N2 86.78(10) 1_545 . ?
C6 O1 Ni1 133.7(2) . . ?
C6 O2 Ni2 128.0(2) . 2_656 ?
C12 O3 Ni2 139.3(2) . 2_657 ?
C18 O5 Ni2 145.0(2) . . ?
C5 N1 C1 117.1(3) . . ?
C5 N1 Ni2 120.9(2) . 1_565 ?
C1 N1 Ni2 121.8(2) . 1_565 ?
C7 N2 C11 117.0(3) . . ?
C7 N2 Ni2 122.2(2) . . ?
C11 N2 Ni2 120.1(2) . . ?
C13 N3 C17 117.3(3) . . ?
C13 N3 Ni1 122.4(2) . 1_655 ?
C17 N3 Ni1 120.0(2) . 1_655 ?
N5 N4 Ni2 113.6(2) . . ?
N5 N4 Ni1 120.2(2) . . ?
Ni2 N4 Ni1 125.22(12) . . ?
N6 N5 N4 179.2(3) . . ?
N1 C1 C2 124.2(3) . . ?
N1 C1 H1A 116(2) . . ?
C2 C1 H1A 120(2) . . ?
C1 C2 C3 117.4(3) . . ?
C1 C2 C6 120.9(3) . . ?
C3 C2 C6 121.7(3) . . ?
C4 C3 C2 118.9(3) . . ?
C4 C3 H3A 124(3) . . ?
C2 C3 H3A 116(3) . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4A 126(3) . . ?
C3 C4 H4A 115(3) . . ?
N1 C5 C4 123.1(3) . . ?
N1 C5 H5A 112(3) . . ?
C4 C5 H5A 125(3) . . ?
O1 C6 O2 127.6(3) . . ?
O1 C6 C2 116.7(3) . . ?
O2 C6 C2 115.6(3) . . ?
N2 C7 C8 123.8(3) . . ?
N2 C7 H7A 118(2) . . ?
C8 C7 H7A 118(2) . . ?
C7 C8 C9 118.2(3) . . ?
C7 C8 C12 120.8(3) . . ?
C9 C8 C12 120.9(3) . . ?
C10 C9 C8 118.4(3) . . ?
C10 C9 H9A 120(3) . . ?
C8 C9 H9A 117(3) . . ?
C11 C10 C9 119.5(3) . . ?
C11 C10 H10A 119(3) . . ?
C9 C10 H10A 121(3) . . ?
N2 C11 C10 122.9(3) . . ?
N2 C11 H11A 110(2) . . ?
C10 C11 H11A 127(2) . . ?
O3 C12 O4 126.2(3) . . ?
O3 C12 C8 117.9(3) . . ?
O4 C12 C8 115.9(3) . . ?
N3 C13 C14 123.3(3) . . ?
N3 C13 H13A 114(2) . . ?
C14 C13 H13A 123(2) . . ?
C13 C14 C15 118.7(3) . . ?
C13 C14 C18 121.6(3) . . ?
C15 C14 C18 119.7(3) . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 H15A 120(3) . . ?
C14 C15 H15A 121(3) . . ?
C17 C16 C15 118.6(3) . . ?
C17 C16 H16A 120.7 . . ?
C15 C16 H16A 120.7 . . ?
N3 C17 C16 123.2(3) . . ?
N3 C17 H17A 115(2) . . ?
C16 C17 H17A 121(2) . . ?
O5 C18 O6 126.2(3) . . ?
O5 C18 C14 118.6(3) . . ?
O6 C18 C14 115.2(3) . . ?
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 2.077(2) 2_656 ?
Ni1 O1 2.077(2) . ?
Ni1 N3 2.097(3) 1_455 ?
Ni1 N3 2.097(3) 2_756 ?
Ni1 N4 2.127(3) . ?
Ni1 N4 2.127(3) 2_656 ?
Ni2 O2 2.066(2) 2_656 ?
Ni2 O3 2.074(2) 2_657 ?
Ni2 O5 2.091(2) . ?
Ni2 N4 2.092(3) . ?
Ni2 N1 2.108(3) 1_545 ?
Ni2 N2 2.139(3) . ?
O1 C6 1.246(4) . ?
O2 C6 1.266(4) . ?
O2 Ni2 2.066(2) 2_656 ?
O3 C12 1.240(4) . ?
O3 Ni2 2.074(2) 2_657 ?
O4 C12 1.263(4) . ?
O5 C18 1.235(4) . ?
O6 C18 1.277(4) . ?
N1 C5 1.335(4) . ?
N1 C1 1.338(4) . ?
N1 Ni2 2.108(3) 1_565 ?
N2 C7 1.339(4) . ?
N2 C11 1.343(4) . ?
N3 C13 1.339(4) . ?
N3 C17 1.342(4) . ?
N3 Ni1 2.097(3) 1_655 ?
N4 N5 1.204(4) . ?
N5 N6 1.141(4) . ?
C1 C2 1.381(4) . ?
C1 H1A 0.90(4) . ?
C2 C3 1.392(5) . ?
C2 C6 1.518(4) . ?
C3 C4 1.383(5) . ?
C3 H3A 0.84(5) . ?
C4 C5 1.375(6) . ?
C4 H4A 1.02(5) . ?
C5 H5A 0.87(4) . ?
C7 C8 1.380(5) . ?
C7 H7A 0.95(3) . ?
C8 C9 1.388(5) . ?
C8 C12 1.500(4) . ?
C9 C10 1.383(5) . ?
C9 H9A 1.05(6) . ?
C10 C11 1.371(5) . ?
C10 H10A 0.93(4) . ?
C11 H11A 1.00(4) . ?
C13 C14 1.378(5) . ?
C13 H13A 0.97(3) . ?
C14 C15 1.385(5) . ?
C14 C18 1.506(4) . ?
C15 C16 1.382(5) . ?
C15 H15A 0.99(5) . ?
C16 C17 1.380(5) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.94(4) . ?
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 O1 C6 -118(100) 2_656 . . . ?
N3 Ni1 O1 C6 -123.6(3) 1_455 . . . ?
N3 Ni1 O1 C6 56.4(3) 2_756 . . . ?
N4 Ni1 O1 C6 146.7(3) . . . . ?
N4 Ni1 O1 C6 -33.3(3) 2_656 . . . ?
O2 Ni2 O5 C18 144.8(4) 2_656 . . . ?
O3 Ni2 O5 C18 -38.7(4) 2_657 . . . ?
N4 Ni2 O5 C18 51.6(4) . . . . ?
N1 Ni2 O5 C18 -124.2(4) 1_545 . . . ?
N2 Ni2 O5 C18 177.5(4) . . . . ?
O2 Ni2 N2 C7 -165.8(2) 2_656 . . . ?
O3 Ni2 N2 C7 17.4(2) 2_657 . . . ?
O5 Ni2 N2 C7 161.8(4) . . . . ?
N4 Ni2 N2 C7 -72.3(3) . . . . ?
N1 Ni2 N2 C7 103.4(3) 1_545 . . . ?
O2 Ni2 N2 C11 24.1(3) 2_656 . . . ?
O3 Ni2 N2 C11 -152.7(3) 2_657 . . . ?
O5 Ni2 N2 C11 -8.3(6) . . . . ?
N4 Ni2 N2 C11 117.6(3) . . . . ?
N1 Ni2 N2 C11 -66.7(3) 1_545 . . . ?
O2 Ni2 N4 N5 152.1(2) 2_656 . . . ?
O3 Ni2 N4 N5 -25.0(3) 2_657 . . . ?
O5 Ni2 N4 N5 -124.8(3) . . . . ?
N1 Ni2 N4 N5 -28.1(15) 1_545 . . . ?
N2 Ni2 N4 N5 64.4(3) . . . . ?
O2 Ni2 N4 Ni1 -16.46(16) 2_656 . . . ?
O3 Ni2 N4 Ni1 166.45(15) 2_657 . . . ?
O5 Ni2 N4 Ni1 66.65(16) . . . . ?
N1 Ni2 N4 Ni1 163.3(13) 1_545 . . . ?
N2 Ni2 N4 Ni1 -104.17(16) . . . . ?
O1 Ni1 N4 N5 -175.0(3) 2_656 . . . ?
O1 Ni1 N4 N5 5.0(3) . . . . ?
N3 Ni1 N4 N5 -85.8(3) 1_455 . . . ?
N3 Ni1 N4 N5 94.2(3) 2_756 . . . ?
N4 Ni1 N4 N5 10(100) 2_656 . . . ?
O1 Ni1 N4 Ni2 -7.12(16) 2_656 . . . ?
O1 Ni1 N4 Ni2 172.88(16) . . . . ?
N3 Ni1 N4 Ni2 82.12(16) 1_455 . . . ?
N3 Ni1 N4 Ni2 -97.88(16) 2_756 . . . ?
N4 Ni1 N4 Ni2 178(100) 2_656 . . . ?
Ni2 N4 N5 N6 -3(31) . . . . ?
Ni1 N4 N5 N6 166(31) . . . . ?
C5 N1 C1 C2 5.4(5) . . . . ?
Ni2 N1 C1 C2 -169.1(2) 1_565 . . . ?
N1 C1 C2 C3 -5.7(5) . . . . ?
N1 C1 C2 C6 171.9(3) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C6 C2 C3 C4 -176.7(4) . . . . ?
C2 C3 C4 C5 3.7(7) . . . . ?
C1 N1 C5 C4 -0.4(6) . . . . ?
Ni2 N1 C5 C4 174.3(4) 1_565 . . . ?
C3 C4 C5 N1 -4.1(8) . . . . ?
Ni1 O1 C6 O2 15.4(5) . . . . ?
Ni1 O1 C6 C2 -165.2(2) . . . . ?
Ni2 O2 C6 O1 37.3(5) 2_656 . . . ?
Ni2 O2 C6 C2 -142.0(2) 2_656 . . . ?
C1 C2 C6 O1 -168.5(3) . . . . ?
C3 C2 C6 O1 9.0(5) . . . . ?
C1 C2 C6 O2 11.0(4) . . . . ?
C3 C2 C6 O2 -171.6(3) . . . . ?
C11 N2 C7 C8 3.9(5) . . . . ?
Ni2 N2 C7 C8 -166.6(2) . . . . ?
N2 C7 C8 C9 -3.8(5) . . . . ?
N2 C7 C8 C12 172.2(3) . . . . ?
C7 C8 C9 C10 0.6(5) . . . . ?
C12 C8 C9 C10 -175.5(4) . . . . ?
C8 C9 C10 C11 2.3(6) . . . . ?
C7 N2 C11 C10 -0.7(6) . . . . ?
Ni2 N2 C11 C10 169.9(3) . . . . ?
C9 C10 C11 N2 -2.3(7) . . . . ?
Ni2 O3 C12 O4 23.4(6) 2_657 . . . ?
Ni2 O3 C12 C8 -154.2(2) 2_657 . . . ?
C7 C8 C12 O3 0.5(5) . . . . ?
C9 C8 C12 O3 176.4(3) . . . . ?
C7 C8 C12 O4 -177.4(3) . . . . ?
C9 C8 C12 O4 -1.4(5) . . . . ?
C17 N3 C13 C14 2.5(5) . . . . ?
Ni1 N3 C13 C14 -171.3(2) 1_655 . . . ?
N3 C13 C14 C15 -0.6(5) . . . . ?
N3 C13 C14 C18 -179.9(3) . . . . ?
C13 C14 C15 C16 -2.2(6) . . . . ?
C18 C14 C15 C16 177.2(4) . . . . ?
C14 C15 C16 C17 2.9(6) . . . . ?
C13 N3 C17 C16 -1.6(5) . . . . ?
Ni1 N3 C17 C16 172.3(3) 1_655 . . . ?
C15 C16 C17 N3 -1.0(6) . . . . ?
Ni2 O5 C18 O6 22.2(6) . . . . ?
Ni2 O5 C18 C14 -157.0(3) . . . . ?
C13 C14 C18 O5 -175.6(3) . . . . ?
C15 C14 C18 O5 5.1(5) . . . . ?
C13 C14 C18 O6 5.2(5) . . . . ?
C15 C14 C18 O6 -174.2(3) . . . . ?
