#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/91/4069131.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_4069131
loop_
_publ_author_name
'Ohno, Kouji'
'Arima, Kenji'
'Tanaka, Shinji'
'Yamagata, Tsuneaki'
'Tsurugi, Hayato'
'Mashima, Kazushi'
_publ_section_title
;
 Synthesis and Characterization of Proximal Dinuclear Complexes of
 Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl =
 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and
 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              3256
_journal_paper_doi               10.1021/om900043u
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C66 H82 N4 Ni O2'
_chemical_formula_sum            'C66 H82 N4 Ni O2'
_chemical_formula_weight         1022.07
_chemical_name_common            8
_chemical_temperature_decomposition_gt 524
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.178(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7649(16)
_cell_length_b                   12.158(2)
_cell_length_c                   24.055(4)
_cell_measurement_reflns_used    27959
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.04
_cell_volume                     2833.5(8)
_diffrn_ambient_temperature      120(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_details
;
RAPID: Eulerian 3-circle
;
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_collimation    ' 0.5 mm double pinhole '
_diffrn_radiation_detector       'imaging plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1373
_diffrn_reflns_av_sigmaI/netI    0.0660
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            56135
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_diffrn_source_current           40
_diffrn_source_power             50
_exptl_absorpt_coefficient_mu    0.390
_exptl_absorpt_correction_T_max  0.9618
_exptl_absorpt_correction_T_min  0.3890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). ABSCOR - Program for Absorption Correction, Rigaku
        Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            ' green '
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             1100
_exptl_crystal_preparation
'mounted on the CryoLoop with mineral oil and placed in N2 stream at 120(1) K'
_exptl_crystal_recrystallization_method
'slow evaporation of toluene/hexsans at ambient temperature'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         6472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0750
_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)+(0.0269P)²+5.7500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                5088
_reflns_number_total             6472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900043u_si_001.cif
_cod_data_source_block           8
_cod_original_cell_volume        2833.4(9)
_cod_original_sg_symbol_Hall     ' -P 2ybc '
_cod_original_sg_symbol_H-M      ' P21/c '
_cod_database_code               4069131
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ni1 Ni 1.0000 0.0000 0.5000 0.01920(14) Uani 1 2 d S
O1 O 0.8969(2) 0.12368(15) 0.47639(8) 0.0220(4) Uani 1 1 d .
N1 N 0.9211(2) -0.01046(19) 0.56793(9) 0.0215(5) Uani 1 1 d .
N2 N 0.6993(2) 0.39224(19) 0.39617(9) 0.0224(5) Uani 1 1 d .
C1 C 0.8139(3) 0.1834(2) 0.50275(11) 0.0208(6) Uani 1 1 d .
C2 C 0.7836(3) 0.1581(2) 0.55778(12) 0.0227(6) Uani 1 1 d .
C3 C 0.6976(3) 0.2254(2) 0.58549(12) 0.0247(6) Uani 1 1 d .
H3 H 0.6806 0.2058 0.6222 0.030 Uiso 1 1 calc R
C4 C 0.6369(3) 0.3188(2) 0.56152(12) 0.0237(6) Uani 1 1 d .
C5 C 0.6638(3) 0.3429(2) 0.50712(12) 0.0226(6) Uani 1 1 d .
H5 H 0.6223 0.4067 0.4895 0.027 Uiso 1 1 calc R
C6 C 0.7478(3) 0.2792(2) 0.47718(11) 0.0207(6) Uani 1 1 d .
C7 C 0.8396(3) 0.0618(2) 0.58594(12) 0.0227(6) Uani 1 1 d .
H7 H 0.8141 0.0491 0.6222 0.027 Uiso 1 1 calc R
C8 C 0.5500(3) 0.3937(3) 0.59325(13) 0.0311(7) Uani 1 1 d .
H8A H 0.5160 0.4555 0.5692 0.047 Uiso 1 1 calc R
H8B H 0.6063 0.4218 0.6269 0.047 Uiso 1 1 calc R
H8C H 0.4715 0.3524 0.6042 0.047 Uiso 1 1 calc R
C9 C 0.7735(3) 0.3166(2) 0.42117(12) 0.0217(6) Uani 1 1 d .
H9 H 0.8456 0.2842 0.4036 0.026 Uiso 1 1 calc R
C10 C 0.9522(3) -0.1013(2) 0.60696(11) 0.0211(6) Uani 1 1 d .
C11 C 0.8651(3) -0.1926(2) 0.60196(12) 0.0234(6) Uani 1 1 d .
C12 C 0.8924(3) -0.2759(2) 0.64219(13) 0.0262(7) Uani 1 1 d .
H12 H 0.8356 -0.3395 0.6401 0.031 Uiso 1 1 calc R
C13 C 1.0011(3) -0.2667(2) 0.68492(12) 0.0266(7) Uani 1 1 d .
H13 H 1.0176 -0.3234 0.7121 0.032 Uiso 1 1 calc R
C14 C 1.0855(3) -0.1751(2) 0.68804(12) 0.0248(6) Uani 1 1 d .
H14 H 1.1595 -0.1694 0.7176 0.030 Uiso 1 1 calc R
C15 C 1.0640(3) -0.0907(2) 0.64845(12) 0.0224(6) Uani 1 1 d .
C16 C 0.7451(3) -0.2001(3) 0.55514(13) 0.0280(7) Uani 1 1 d .
H16 H 0.7712 -0.1568 0.5227 0.034 Uiso 1 1 calc R
C17 C 0.6124(3) -0.1488(3) 0.57197(16) 0.0390(8) Uani 1 1 d .
H17A H 0.5381 -0.1553 0.5407 0.059 Uiso 1 1 calc R
H17B H 0.6286 -0.0710 0.5811 0.059 Uiso 1 1 calc R
H17C H 0.5859 -0.1875 0.6047 0.059 Uiso 1 1 calc R
C18 C 0.7160(4) -0.3183(3) 0.53468(14) 0.0356(8) Uani 1 1 d .
H18A H 0.6383 -0.3185 0.5047 0.053 Uiso 1 1 calc R
H18B H 0.6932 -0.3638 0.5659 0.053 Uiso 1 1 calc R
H18C H 0.7981 -0.3483 0.5204 0.053 Uiso 1 1 calc R
C19 C 1.1567(3) 0.0100(3) 0.65220(12) 0.0274(7) Uani 1 1 d .
H19 H 1.1311 0.0541 0.6174 0.033 Uiso 1 1 calc R
C20 C 1.3101(3) -0.0192(3) 0.65466(15) 0.0358(8) Uani 1 1 d .
H20A H 1.3651 0.0484 0.6570 0.054 Uiso 1 1 calc R
H20B H 1.3252 -0.0600 0.6208 0.054 Uiso 1 1 calc R
H20C H 1.3380 -0.0648 0.6878 0.054 Uiso 1 1 calc R
C21 C 1.1288(4) 0.0819(3) 0.70191(14) 0.0354(8) Uani 1 1 d .
H21A H 1.1889 0.1467 0.7040 0.053 Uiso 1 1 calc R
H21B H 1.1474 0.0395 0.7367 0.053 Uiso 1 1 calc R
H21C H 1.0321 0.1056 0.6969 0.053 Uiso 1 1 calc R
C22 C 0.7319(3) 0.4384(2) 0.34465(12) 0.0224(6) Uani 1 1 d .
C23 C 0.8148(3) 0.5332(2) 0.34757(12) 0.0250(6) Uani 1 1 d .
C24 C 0.8426(3) 0.5813(3) 0.29762(13) 0.0300(7) Uani 1 1 d .
H24 H 0.9015 0.6437 0.2989 0.036 Uiso 1 1 calc R
C25 C 0.7866(3) 0.5403(3) 0.24644(13) 0.0307(7) Uani 1 1 d .
H25 H 0.8073 0.5738 0.2128 0.037 Uiso 1 1 calc R
C26 C 0.6999(3) 0.4501(3) 0.24429(13) 0.0280(7) Uani 1 1 d .
H26 H 0.6596 0.4233 0.2089 0.034 Uiso 1 1 calc R
C27 C 0.6702(3) 0.3974(2) 0.29288(12) 0.0239(6) Uani 1 1 d .
C28 C 0.8722(3) 0.5812(3) 0.40421(13) 0.0297(7) Uani 1 1 d .
H28 H 0.8112 0.5560 0.4321 0.036 Uiso 1 1 calc R
C29 C 1.0167(4) 0.5370(3) 0.42296(15) 0.0427(9) Uani 1 1 d .
H29A H 1.0518 0.5688 0.4594 0.064 Uiso 1 1 calc R
H29B H 1.0781 0.5571 0.3953 0.064 Uiso 1 1 calc R
H29C H 1.0131 0.4568 0.4262 0.064 Uiso 1 1 calc R
C30 C 0.8733(4) 0.7073(3) 0.40502(15) 0.0371(8) Uani 1 1 d .
H30A H 0.7800 0.7348 0.3929 0.056 Uiso 1 1 calc R
H30B H 0.9364 0.7345 0.3795 0.056 Uiso 1 1 calc R
H30C H 0.9041 0.7331 0.4431 0.056 Uiso 1 1 calc R
C31 C 0.5677(3) 0.3034(2) 0.29111(12) 0.0249(6) Uani 1 1 d .
H31 H 0.6039 0.2491 0.3205 0.030 Uiso 1 1 calc R
C32 C 0.4295(3) 0.3467(3) 0.30613(14) 0.0359(8) Uani 1 1 d .
H32A H 0.3632 0.2860 0.3051 0.054 Uiso 1 1 calc R
H32B H 0.3940 0.4033 0.2791 0.054 Uiso 1 1 calc R
H32C H 0.4430 0.3785 0.3439 0.054 Uiso 1 1 calc R
C33 C 0.5440(3) 0.2421(3) 0.23482(13) 0.0307(7) Uani 1 1 d .
H33A H 0.4768 0.1829 0.2372 0.046 Uiso 1 1 calc R
H33B H 0.6315 0.2108 0.2263 0.046 Uiso 1 1 calc R
H33C H 0.5086 0.2936 0.2051 0.046 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
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
O1 Ni1 O1 180.00(11) 3_756 .
O1 Ni1 N1 86.87(9) 3_756 .
O1 Ni1 N1 93.13(9) . .
O1 Ni1 N1 93.13(9) 3_756 3_756
O1 Ni1 N1 86.87(9) . 3_756
N1 Ni1 N1 180.000(1) . 3_756
C1 O1 Ni1 130.15(18) . .
C7 N1 C10 112.7(2) . .
C7 N1 Ni1 125.1(2) . .
C10 N1 Ni1 122.15(18) . .
C9 N2 C22 121.1(2) . .
O1 C1 C2 122.9(3) . .
O1 C1 C6 121.0(2) . .
C2 C1 C6 116.0(2) . .
C3 C2 C1 121.5(3) . .
C3 C2 C7 118.1(3) . .
C1 C2 C7 120.4(3) . .
C4 C3 C2 122.4(3) . .
C4 C3 H3 118.8 . .
C2 C3 H3 118.8 . .
C3 C4 C5 116.4(3) . .
C3 C4 C8 121.7(3) . .
C5 C4 C8 121.9(3) . .
C6 C5 C4 124.0(3) . .
C6 C5 H5 118.0 . .
C4 C5 H5 118.0 . .
C5 C6 C1 119.6(3) . .
C5 C6 C9 118.7(3) . .
C1 C6 C9 121.6(2) . .
N1 C7 C2 127.8(3) . .
N1 C7 H7 116.1 . .
C2 C7 H7 116.1 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 C6 120.2(3) . .
N2 C9 H9 119.9 . .
C6 C9 H9 119.9 . .
C15 C10 C11 123.5(3) . .
C15 C10 N1 118.3(3) . .
C11 C10 N1 118.2(2) . .
C10 C11 C12 117.0(3) . .
C10 C11 C16 121.0(3) . .
C12 C11 C16 122.0(3) . .
C13 C12 C11 121.0(3) . .
C13 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
C14 C13 C12 120.1(3) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C13 C14 C15 121.1(3) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C10 C15 C14 117.3(3) . .
C10 C15 C19 121.8(3) . .
C14 C15 C19 120.9(3) . .
C11 C16 C18 112.8(3) . .
C11 C16 C17 112.2(3) . .
C18 C16 C17 109.6(3) . .
C11 C16 H16 107.3 . .
C18 C16 H16 107.3 . .
C17 C16 H16 107.3 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 C19 C20 112.8(3) . .
C15 C19 C21 110.1(3) . .
C20 C19 C21 111.7(3) . .
C15 C19 H19 107.3 . .
C20 C19 H19 107.3 . .
C21 C19 H19 107.3 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C27 121.1(3) . .
C23 C22 N2 117.9(3) . .
C27 C22 N2 120.7(3) . .
C24 C23 C22 118.3(3) . .
C24 C23 C28 121.4(3) . .
C22 C23 C28 120.3(3) . .
C25 C24 C23 121.4(3) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 119.6(3) . .
C24 C25 H25 120.2 . .
C26 C25 H25 120.2 . .
C25 C26 C27 121.6(3) . .
C25 C26 H26 119.2 . .
C27 C26 H26 119.2 . .
C26 C27 C22 117.9(3) . .
C26 C27 C31 121.9(3) . .
C22 C27 C31 120.1(3) . .
C23 C28 C29 110.7(3) . .
C23 C28 C30 113.3(3) . .
C29 C28 C30 110.1(3) . .
C23 C28 H28 107.5 . .
C29 C28 H28 107.5 . .
C30 C28 H28 107.5 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C27 C31 C32 109.4(3) . .
C27 C31 C33 114.6(2) . .
C32 C31 C33 109.5(3) . .
C27 C31 H31 107.7 . .
C32 C31 H31 107.7 . .
C33 C31 H31 107.7 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 1.8588(18) 3_756
Ni1 O1 1.8588(18) .
Ni1 N1 1.896(2) .
Ni1 N1 1.896(2) 3_756
O1 C1 1.309(3) .
N1 C7 1.296(4) .
N1 C10 1.456(3) .
N2 C9 1.275(4) .
N2 C22 1.433(4) .
C1 C2 1.426(4) .
C1 C6 1.433(4) .
C2 C3 1.400(4) .
C2 C7 1.427(4) .
C3 C4 1.374(4) .
C3 H3 0.9500 .
C4 C5 1.398(4) .
C4 C8 1.515(4) .
C5 C6 1.393(4) .
C5 H5 0.9500 .
C6 C9 1.473(4) .
C7 H7 0.9500 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9 0.9500 .
C10 C15 1.390(4) .
C10 C11 1.395(4) .
C11 C12 1.403(4) .
C11 C16 1.523(4) .
C12 C13 1.387(4) .
C12 H12 0.9500 .
C13 C14 1.381(4) .
C13 H13 0.9500 .
C14 C15 1.398(4) .
C14 H14 0.9500 .
C15 C19 1.519(4) .
C16 C18 1.535(4) .
C16 C17 1.537(4) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.533(4) .
C19 C21 1.533(4) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.405(4) .
C22 C27 1.406(4) .
C23 C24 1.393(4) .
C23 C28 1.523(4) .
C24 C25 1.377(4) .
C24 H24 0.9500 .
C25 C26 1.383(4) .
C25 H25 0.9500 .
C26 C27 1.395(4) .
C26 H26 0.9500 .
C27 C31 1.516(4) .
C28 C29 1.524(5) .
C28 C30 1.533(4) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.533(4) .
C31 C33 1.537(4) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
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
O1 Ni1 O1 C1 -151(100) 3_756
N1 Ni1 O1 C1 6.4(2) .
N1 Ni1 O1 C1 -173.6(2) 3_756
O1 Ni1 N1 C7 172.5(2) 3_756
O1 Ni1 N1 C7 -7.5(2) .
N1 Ni1 N1 C7 114(100) 3_756
O1 Ni1 N1 C10 -4.8(2) 3_756
O1 Ni1 N1 C10 175.2(2) .
N1 Ni1 N1 C10 -63(100) 3_756
Ni1 O1 C1 C2 -2.5(4) .
Ni1 O1 C1 C6 177.56(19) .
O1 C1 C2 C3 178.1(3) .
C6 C1 C2 C3 -1.9(4) .
O1 C1 C2 C7 -2.6(4) .
C6 C1 C2 C7 177.3(3) .
C1 C2 C3 C4 0.4(5) .
C7 C2 C3 C4 -178.9(3) .
C2 C3 C4 C5 0.9(4) .
C2 C3 C4 C8 -176.8(3) .
C3 C4 C5 C6 -0.6(4) .
C8 C4 C5 C6 177.1(3) .
C4 C5 C6 C1 -1.0(4) .
C4 C5 C6 C9 -177.0(3) .
O1 C1 C6 C5 -177.8(3) .
C2 C1 C6 C5 2.2(4) .
O1 C1 C6 C9 -2.0(4) .
C2 C1 C6 C9 178.0(3) .
C10 N1 C7 C2 -177.2(3) .
Ni1 N1 C7 C2 5.3(4) .
C3 C2 C7 N1 -179.7(3) .
C1 C2 C7 N1 1.0(5) .
C22 N2 C9 C6 173.0(3) .
C5 C6 C9 N2 -14.1(4) .
C1 C6 C9 N2 170.0(3) .
C7 N1 C10 C15 -88.2(3) .
Ni1 N1 C10 C15 89.4(3) .
C7 N1 C10 C11 89.5(3) .
Ni1 N1 C10 C11 -92.8(3) .
C15 C10 C11 C12 1.4(4) .
N1 C10 C11 C12 -176.2(2) .
C15 C10 C11 C16 -179.3(3) .
N1 C10 C11 C16 3.1(4) .
C10 C11 C12 C13 0.2(4) .
C16 C11 C12 C13 -179.1(3) .
C11 C12 C13 C14 -0.7(4) .
C12 C13 C14 C15 -0.3(4) .
C11 C10 C15 C14 -2.4(4) .
N1 C10 C15 C14 175.2(2) .
C11 C10 C15 C19 179.7(3) .
N1 C10 C15 C19 -2.7(4) .
C13 C14 C15 C10 1.8(4) .
C13 C14 C15 C19 179.8(3) .
C10 C11 C16 C18 146.7(3) .
C12 C11 C16 C18 -34.0(4) .
C10 C11 C16 C17 -88.9(3) .
C12 C11 C16 C17 90.3(3) .
C10 C15 C19 C20 -127.6(3) .
C14 C15 C19 C20 54.5(4) .
C10 C15 C19 C21 106.9(3) .
C14 C15 C19 C21 -71.0(3) .
C9 N2 C22 C23 -92.8(3) .
C9 N2 C22 C27 94.2(3) .
C27 C22 C23 C24 -4.5(4) .
N2 C22 C23 C24 -177.5(3) .
C27 C22 C23 C28 175.5(3) .
N2 C22 C23 C28 2.6(4) .
C22 C23 C24 C25 2.5(5) .
C28 C23 C24 C25 -177.6(3) .
C23 C24 C25 C26 0.5(5) .
C24 C25 C26 C27 -1.6(5) .
C25 C26 C27 C22 -0.4(4) .
C25 C26 C27 C31 175.7(3) .
C23 C22 C27 C26 3.5(4) .
N2 C22 C27 C26 176.2(3) .
C23 C22 C27 C31 -172.7(3) .
N2 C22 C27 C31 0.1(4) .
C24 C23 C28 C29 -86.1(4) .
C22 C23 C28 C29 93.8(3) .
C24 C23 C28 C30 38.2(4) .
C22 C23 C28 C30 -141.9(3) .
C26 C27 C31 C32 -100.5(3) .
C22 C27 C31 C32 75.5(3) .
C26 C27 C31 C33 22.9(4) .
C22 C27 C31 C33 -161.1(3) .
