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#$Date: 2016-03-21 19:09:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178837 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/91/4109145.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_4109145
loop_
_publ_author_name
'Vadim A. Soloshonok'
'Hisanori Ueki'
_publ_contact_author
; 
   Prof. Soloshonok, Vadim A.  
   Department of Chemistry and Biochemistry
   University of Oklahoma 
   620 Parrington Oval, Room 208
   Norman, OK  73019-3051  USA 
;
_publ_contact_author_email       vadim@ou.edu
_publ_contact_author_fax         1(405)3256111
_publ_contact_author_phone       1(405)3258279
_publ_section_title
;
 Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes
 with Inherent Helical Chirality
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2426
_journal_page_last               2427
_journal_paper_doi               10.1021/ja0671215
_journal_volume                  129
_journal_year                    2007
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C50 H46 N6 Ni2 O2, 2(C H2 Cl2)'
_chemical_formula_sum            'C52 H50 Cl4 N6 Ni2 O2'
_chemical_formula_weight         1050.20
_chemical_melting_point          581
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.3554(8)
_cell_length_b                   12.2744(7)
_cell_length_c                   12.4945(7)
_cell_measurement_reflns_used    5683
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      3.8
_cell_volume                     2354.9(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      120(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ' 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20026
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_T_max  0.9893
_exptl_absorpt_correction_T_min  0.6608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker(2001)SADABS,BrukerAXSInc.,Madison,WI
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_description       plate
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0270
_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)+(0.0441P)²+0.4572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                5459
_reflns_number_total             5632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0671215si20070122_063031_6.cif
_cod_data_source_block           (M)-9
_cod_database_code               4109145
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -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
Ni1 Ni 0.444939(12) 0.584762(15) 0.351303(16) 0.01191(5) Uani 1 1 d .
O1 O 0.22768(8) 0.66145(11) 0.49991(11) 0.0226(3) Uani 1 1 d .
N1 N 0.44966(9) 0.72648(11) 0.42807(11) 0.0141(3) Uani 1 1 d .
N2 N 0.32522(8) 0.59419(12) 0.37351(11) 0.0146(3) Uani 1 1 d .
N3 N 0.43866(9) 0.44168(10) 0.30800(11) 0.0136(3) Uani 1 1 d .
C1 C 0.60968(12) 0.59670(16) 0.57252(16) 0.0258(4) Uani 1 1 d .
H1A H 0.6306 0.5759 0.5039 0.031 Uiso 1 1 calc R
C2 C 0.63445(15) 0.53784(17) 0.6623(2) 0.0353(5) Uani 1 1 d .
H2A H 0.6718 0.4766 0.6545 0.042 Uiso 1 1 calc R
C3 C 0.60550(15) 0.56720(18) 0.76258(18) 0.0374(5) Uani 1 1 d .
H3A H 0.6230 0.5269 0.8238 0.045 Uiso 1 1 calc R
C4 C 0.55021(14) 0.6568(2) 0.77329(16) 0.0339(5) Uani 1 1 d .
H4A H 0.5298 0.6776 0.8421 0.041 Uiso 1 1 calc R
C5 C 0.52521(12) 0.71497(17) 0.68413(15) 0.0244(4) Uani 1 1 d .
H5A H 0.4875 0.7758 0.6922 0.029 Uiso 1 1 calc R
C6 C 0.55428(12) 0.68622(14) 0.58238(13) 0.0182(3) Uani 1 1 d .
C7 C 0.53267(11) 0.75578(14) 0.48644(14) 0.0169(3) Uani 1 1 d .
H7A H 0.5817 0.7512 0.4351 0.020 Uiso 1 1 calc R
H7B H 0.5284 0.8325 0.5102 0.020 Uiso 1 1 calc R
C8 C 0.37452(11) 0.72391(13) 0.50441(14) 0.0162(3) Uani 1 1 d .
H8A H 0.3938 0.6904 0.5734 0.019 Uiso 1 1 calc R
C9 C 0.34826(12) 0.84324(15) 0.52409(16) 0.0230(4) Uani 1 1 d .
H9A H 0.2843 0.8500 0.5310 0.028 Uiso 1 1 calc R
H9B H 0.3758 0.8715 0.5901 0.028 Uiso 1 1 calc R
C10 C 0.38092(16) 0.90502(17) 0.42614(18) 0.0360(5) Uani 1 1 d .
H10A H 0.4220 0.9632 0.4477 0.043 Uiso 1 1 calc R
H10B H 0.3316 0.9386 0.3872 0.043 Uiso 1 1 calc R
C11 C 0.42705(11) 0.82037(13) 0.35532(15) 0.0199(3) Uani 1 1 d .
H11A H 0.3881 0.7959 0.2970 0.024 Uiso 1 1 calc R
H11B H 0.4804 0.8518 0.3233 0.024 Uiso 1 1 calc R
C12 C 0.30007(10) 0.65695(14) 0.45764(13) 0.0155(3) Uani 1 1 d .
C13 C 0.26381(10) 0.53991(13) 0.31013(13) 0.0144(3) Uani 1 1 d .
C14 C 0.17985(10) 0.58392(15) 0.29490(14) 0.0182(3) Uani 1 1 d .
H14A H 0.1633 0.6477 0.3329 0.022 Uiso 1 1 calc R
C15 C 0.12109(11) 0.53563(15) 0.22541(16) 0.0222(4) Uani 1 1 d .
H15A H 0.0648 0.5665 0.2167 0.027 Uiso 1 1 calc R
C16 C 0.14336(11) 0.44273(15) 0.16831(15) 0.0228(4) Uani 1 1 d .
H16A H 0.1028 0.4098 0.1208 0.027 Uiso 1 1 calc R
C17 C 0.22607(11) 0.39872(14) 0.18184(14) 0.0195(3) Uani 1 1 d .
H17A H 0.2417 0.3354 0.1425 0.023 Uiso 1 1 calc R
C18 C 0.28719(11) 0.44510(13) 0.25188(13) 0.0152(3) Uani 1 1 d .
C19 C 0.37418(10) 0.39406(13) 0.26382(12) 0.0138(3) Uani 1 1 d .
C20 C 0.38591(10) 0.28278(13) 0.21559(13) 0.0154(3) Uani 1 1 d .
C21 C 0.44561(12) 0.27148(14) 0.13318(14) 0.0210(3) Uani 1 1 d .
H21A H 0.4803 0.3320 0.1123 0.025 Uiso 1 1 calc R
C22 C 0.45521(14) 0.17173(16) 0.08055(16) 0.0297(4) Uani 1 1 d .
H22A H 0.4959 0.1646 0.0237 0.036 Uiso 1 1 calc R
C23 C 0.34599(12) 0.09354(15) 0.19526(15) 0.0231(4) Uani 1 1 d .
H23A H 0.3127 0.0323 0.2174 0.028 Uiso 1 1 calc R
C24 C 0.40517(13) 0.08337(16) 0.11165(16) 0.0280(4) Uani 1 1 d .
H24A H 0.4113 0.0156 0.0757 0.034 Uiso 1 1 calc R
C25 C 0.33555(11) 0.19333(14) 0.24642(14) 0.0187(3) Uani 1 1 d .
H25A H 0.2941 0.2007 0.3024 0.022 Uiso 1 1 calc R
C26 C 0.2941(3) 0.6694(2) 0.0699(3) 0.0805(12) Uani 1 1 d .
H26A H 0.2370 0.6366 0.0521 0.097 Uiso 1 1 calc R
H26B H 0.3177 0.6301 0.1328 0.097 Uiso 1 1 calc R
Cl1 Cl 0.27874(5) 0.80528(6) 0.10379(5) 0.04917(16) Uani 1 1 d .
Cl2 Cl 0.36441(4) 0.65143(5) -0.03775(5) 0.04140(14) 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'
Cl Cl 0.1484 0.1585 '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
N3 Ni1 N2 92.95(6) . .
N3 Ni1 N3 78.58(7) . 2_665
N2 Ni1 N3 169.66(6) . 2_665
N3 Ni1 N1 168.23(6) . .
N2 Ni1 N1 84.82(6) . .
N3 Ni1 N1 104.66(6) 2_665 .
N3 Ni1 Ni1 44.96(4) . 2_665
N2 Ni1 Ni1 132.12(5) . 2_665
N3 Ni1 Ni1 43.32(4) 2_665 2_665
N1 Ni1 Ni1 131.01(4) . 2_665
C8 N1 C11 102.86(12) . .
C8 N1 C7 110.32(13) . .
C11 N1 C7 107.64(12) . .
C8 N1 Ni1 105.12(10) . .
C11 N1 Ni1 111.68(10) . .
C7 N1 Ni1 118.14(10) . .
C12 N2 C13 121.05(13) . .
C12 N2 Ni1 115.52(11) . .
C13 N2 Ni1 123.43(11) . .
C19 N3 Ni1 127.24(12) . .
C19 N3 Ni1 141.00(12) . 2_665
Ni1 N3 Ni1 91.73(6) . 2_665
C2 C1 C6 120.39(19) . .
C2 C1 H1A 119.8 . .
C6 C1 H1A 119.8 . .
C3 C2 C1 120.7(2) . .
C3 C2 H2A 119.6 . .
C1 C2 H2A 119.6 . .
C2 C3 C4 119.32(19) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C5 C4 C3 120.03(19) . .
C5 C4 H4A 120.0 . .
C3 C4 H4A 120.0 . .
C4 C5 C6 121.15(19) . .
C4 C5 H5A 119.4 . .
C6 C5 H5A 119.4 . .
C5 C6 C1 118.39(17) . .
C5 C6 C7 120.76(16) . .
C1 C6 C7 120.64(16) . .
C6 C7 N1 115.73(13) . .
C6 C7 H7A 108.3 . .
N1 C7 H7A 108.3 . .
C6 C7 H7B 108.3 . .
N1 C7 H7B 108.3 . .
H7A C7 H7B 107.4 . .
N1 C8 C12 110.18(13) . .
N1 C8 C9 106.47(13) . .
C12 C8 C9 112.20(14) . .
N1 C8 H8A 109.3 . .
C12 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
C10 C9 C8 105.01(15) . .
C10 C9 H9A 110.7 . .
C8 C9 H9A 110.7 . .
C10 C9 H9B 110.7 . .
C8 C9 H9B 110.7 . .
H9A C9 H9B 108.8 . .
C9 C10 C11 106.11(16) . .
C9 C10 H10A 110.5 . .
C11 C10 H10A 110.5 . .
C9 C10 H10B 110.5 . .
C11 C10 H10B 110.5 . .
H10A C10 H10B 108.7 . .
N1 C11 C10 105.99(15) . .
N1 C11 H11A 110.5 . .
C10 C11 H11A 110.5 . .
N1 C11 H11B 110.5 . .
C10 C11 H11B 110.5 . .
H11A C11 H11B 108.7 . .
O1 C12 N2 127.83(16) . .
O1 C12 C8 119.22(15) . .
N2 C12 C8 112.89(13) . .
N2 C13 C14 120.64(15) . .
N2 C13 C18 120.67(14) . .
C14 C13 C18 118.44(15) . .
C15 C14 C13 121.06(16) . .
C15 C14 H14A 119.5 . .
C13 C14 H14A 119.5 . .
C14 C15 C16 120.88(16) . .
C14 C15 H15A 119.6 . .
C16 C15 H15A 119.6 . .
C15 C16 C17 118.80(16) . .
C15 C16 H16A 120.6 . .
C17 C16 H16A 120.6 . .
C16 C17 C18 121.93(16) . .
C16 C17 H17A 119.0 . .
C18 C17 H17A 119.0 . .
C17 C18 C13 118.90(15) . .
C17 C18 C19 119.58(15) . .
C13 C18 C19 121.53(14) . .
N3 C19 C18 123.31(14) . .
N3 C19 C20 119.78(14) . .
C18 C19 C20 116.84(14) . .
C21 C20 C25 119.50(16) . .
C21 C20 C19 117.91(15) . .
C25 C20 C19 122.48(15) . .
C20 C21 C22 120.47(16) . .
C20 C21 H21A 119.8 . .
C22 C21 H21A 119.8 . .
C24 C22 C21 119.71(17) . .
C24 C22 H22A 120.1 . .
C21 C22 H22A 120.1 . .
C24 C23 C25 119.99(17) . .
C24 C23 H23A 120.0 . .
C25 C23 H23A 120.0 . .
C22 C24 C23 120.21(18) . .
C22 C24 H24A 119.9 . .
C23 C24 H24A 119.9 . .
C23 C25 C20 120.10(16) . .
C23 C25 H25A 120.0 . .
C20 C25 H25A 120.0 . .
Cl1 C26 Cl2 113.21(16) . .
Cl1 C26 H26A 108.9 . .
Cl2 C26 H26A 108.9 . .
Cl1 C26 H26B 108.9 . .
Cl2 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N3 1.8403(13) .
Ni1 N2 1.8628(13) .
Ni1 N3 1.8954(14) 2_665
Ni1 N1 1.9877(13) .
Ni1 Ni1 2.6813(4) 2_665
O1 C12 1.232(2) .
N1 C8 1.497(2) .
N1 C11 1.508(2) .
N1 C7 1.512(2) .
N2 C12 1.359(2) .
N2 C13 1.400(2) .
N3 C19 1.276(2) .
N3 Ni1 1.8954(14) 2_665
C1 C2 1.387(3) .
C1 C6 1.395(3) .
C1 H1A 0.9500 .
C2 C3 1.378(4) .
C2 H2A 0.9500 .
C3 C4 1.395(3) .
C3 H3A 0.9500 .
C4 C5 1.378(3) .
C4 H4A 0.9500 .
C5 C6 1.393(3) .
C5 H5A 0.9500 .
C6 C7 1.509(2) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C12 1.524(2) .
C8 C9 1.539(2) .
C8 H8A 1.0000 .
C9 C10 1.525(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.538(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C13 C14 1.411(2) .
C13 C18 1.419(2) .
C14 C15 1.385(2) .
C14 H14A 0.9500 .
C15 C16 1.388(3) .
C15 H15A 0.9500 .
C16 C17 1.390(2) .
C16 H16A 0.9500 .
C17 C18 1.404(2) .
C17 H17A 0.9500 .
C18 C19 1.483(2) .
C19 C20 1.504(2) .
C20 C21 1.386(2) .
C20 C25 1.397(2) .
C21 C22 1.397(2) .
C21 H21A 0.9500 .
C22 C24 1.385(3) .
C22 H22A 0.9500 .
C23 C24 1.390(3) .
C23 C25 1.391(3) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 H25A 0.9500 .
C26 Cl1 1.737(3) .
C26 Cl2 1.739(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
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_4
N3 Ni1 N1 C8 -49.3(3) . .
N2 Ni1 N1 C8 30.26(10) . .
N3 Ni1 N1 C8 -153.91(10) 2_665 .
Ni1 Ni1 N1 C8 -114.18(9) 2_665 .
N3 Ni1 N1 C11 -160.1(3) . .
N2 Ni1 N1 C11 -80.57(11) . .
N3 Ni1 N1 C11 95.26(11) 2_665 .
Ni1 Ni1 N1 C11 134.99(9) 2_665 .
N3 Ni1 N1 C7 74.3(3) . .
N2 Ni1 N1 C7 153.80(12) . .
N3 Ni1 N1 C7 -30.37(12) 2_665 .
Ni1 Ni1 N1 C7 9.36(14) 2_665 .
N3 Ni1 N2 C12 144.22(12) . .
N3 Ni1 N2 C12 178.9(3) 2_665 .
N1 Ni1 N2 C12 -24.18(12) . .
Ni1 Ni1 N2 C12 119.54(11) 2_665 .
N3 Ni1 N2 C13 -34.84(14) . .
N3 Ni1 N2 C13 -0.2(4) 2_665 .
N1 Ni1 N2 C13 156.75(13) . .
Ni1 Ni1 N2 C13 -59.52(14) 2_665 .
N2 Ni1 N3 C19 27.63(15) . .
N3 Ni1 N3 C19 -146.40(12) 2_665 .
N1 Ni1 N3 C19 106.3(3) . .
Ni1 Ni1 N3 C19 -178.37(17) 2_665 .
N2 Ni1 N3 Ni1 -154.00(6) . 2_665
N3 Ni1 N3 Ni1 31.98(7) 2_665 2_665
N1 Ni1 N3 Ni1 -75.3(3) . 2_665
C6 C1 C2 C3 -0.6(3) . .
C1 C2 C3 C4 0.4(3) . .
C2 C3 C4 C5 -0.1(3) . .
C3 C4 C5 C6 -0.1(3) . .
C4 C5 C6 C1 -0.1(3) . .
C4 C5 C6 C7 -174.90(17) . .
C2 C1 C6 C5 0.4(3) . .
C2 C1 C6 C7 175.23(17) . .
C5 C6 C7 N1 -90.62(19) . .
C1 C6 C7 N1 94.66(19) . .
C8 N1 C7 C6 53.76(18) . .
C11 N1 C7 C6 165.28(14) . .
Ni1 N1 C7 C6 -67.14(17) . .
C11 N1 C8 C12 85.70(15) . .
C7 N1 C8 C12 -159.71(13) . .
Ni1 N1 C8 C12 -31.31(15) . .
C11 N1 C8 C9 -36.21(16) . .
C7 N1 C8 C9 78.38(16) . .
Ni1 N1 C8 C9 -153.22(11) . .
N1 C8 C9 C10 23.6(2) . .
C12 C8 C9 C10 -97.01(18) . .
C8 C9 C10 C11 -1.7(2) . .
C8 N1 C11 C10 34.90(17) . .
C7 N1 C11 C10 -81.62(17) . .
Ni1 N1 C11 C10 147.15(13) . .
C9 C10 C11 N1 -20.6(2) . .
C13 N2 C12 O1 12.6(3) . .
Ni1 N2 C12 O1 -166.44(15) . .
C13 N2 C12 C8 -170.25(14) . .
Ni1 N2 C12 C8 10.66(18) . .
N1 C8 C12 O1 -167.27(15) . .
C9 C8 C12 O1 -48.8(2) . .
N1 C8 C12 N2 15.36(19) . .
C9 C8 C12 N2 133.80(15) . .
C12 N2 C13 C14 30.5(2) . .
Ni1 N2 C13 C14 -150.48(13) . .
C12 N2 C13 C18 -155.47(16) . .
Ni1 N2 C13 C18 23.5(2) . .
N2 C13 C14 C15 174.62(16) . .
C18 C13 C14 C15 0.5(2) . .
C13 C14 C15 C16 -0.3(3) . .
C14 C15 C16 C17 -0.1(3) . .
C15 C16 C17 C18 0.4(3) . .
C16 C17 C18 C13 -0.3(3) . .
C16 C17 C18 C19 179.45(16) . .
N2 C13 C18 C17 -174.33(15) . .
C14 C13 C18 C17 -0.2(2) . .
N2 C13 C18 C19 6.0(2) . .
C14 C13 C18 C19 -179.88(15) . .
Ni1 N3 C19 C18 -7.9(2) . .
Ni1 N3 C19 C18 174.66(13) 2_665 .
Ni1 N3 C19 C20 168.82(11) . .
Ni1 N3 C19 C20 -8.6(3) 2_665 .
C17 C18 C19 N3 165.47(16) . .
C13 C18 C19 N3 -14.8(2) . .
C17 C18 C19 C20 -11.4(2) . .
C13 C18 C19 C20 168.34(15) . .
N3 C19 C20 C21 -60.4(2) . .
C18 C19 C20 C21 116.52(18) . .
N3 C19 C20 C25 123.48(18) . .
C18 C19 C20 C25 -59.6(2) . .
C25 C20 C21 C22 0.4(3) . .
C19 C20 C21 C22 -175.79(17) . .
C20 C21 C22 C24 -0.5(3) . .
C21 C22 C24 C23 -0.4(3) . .
C25 C23 C24 C22 1.4(3) . .
C24 C23 C25 C20 -1.5(3) . .
C21 C20 C25 C23 0.6(3) . .
C19 C20 C25 C23 176.62(16) . .
