#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:22:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180036 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/30/7033075.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_7033075
loop_
_publ_author_name
'Ohno, Keiji'
'Nagasawa, Akira'
'Fujihara, Takashi'
_publ_section_title
;
 Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine
 ligands as precatalysts for the polymerization of styrene: electronic and
 steric substituent effects.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              368
_journal_page_last               376
_journal_paper_doi               10.1039/c4dt02858a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C56 H68 N4 Ni2 O4'
_chemical_formula_weight         978.56
_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                113.575(2)
_cell_angle_beta                 91.422(2)
_cell_angle_gamma                93.090(2)
_cell_formula_units_Z            1
_cell_length_a                   8.4280(8)
_cell_length_b                   11.7109(10)
_cell_length_c                   13.9731(13)
_cell_measurement_reflns_used    1312
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1260.6(2)
_computing_cell_refinement       'SAINT-W2K/NT(Bruker, 2003)'
_computing_data_collection       'SMART-W2K/NT(Bruker, 2003)'
_computing_data_reduction        SAINT-W2K/NT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXTL-NT
_computing_structure_refinement  SHELXTL-NT
_computing_structure_solution    'SHELXTL-NT(Bruker, 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9380
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  160
_diffrn_standards_number         42
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_T_max  0.9391
_exptl_absorpt_correction_T_min  0.8967
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         6006
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0649
_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)+(0.0608P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                4369
_reflns_number_total             6006
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02858a2.cif
_cod_data_source_block           1e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033073--7033079.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033075
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
C1 C 0.5053(4) 0.8766(3) 0.9246(2) 0.0188(7) Uani 1 1 d .
C2 C 0.5712(3) 0.9854(3) 0.9054(2) 0.0188(7) Uani 1 1 d .
C3 C 0.5651(4) 1.1060(3) 0.9818(2) 0.0202(7) Uani 1 1 d .
H3 H 0.6084 1.1757 0.9702 0.024 Uiso 1 1 calc R
C4 C 0.4439(4) 0.6556(3) 0.8416(2) 0.0222(7) Uani 1 1 d .
C5 C 0.5298(4) 0.5768(3) 0.8725(3) 0.0261(8) Uani 1 1 d .
C6 C 0.6976(4) 0.6162(3) 0.9167(3) 0.0347(9) Uani 1 1 d .
H6A H 0.6938 0.6731 0.9913 0.042 Uiso 1 1 calc R
H6B H 0.7484 0.6646 0.8803 0.042 Uiso 1 1 calc R
C7 C 0.8027(5) 0.5127(4) 0.9095(4) 0.0501(12) Uani 1 1 d .
H7A H 0.7621 0.4707 0.9530 0.075 Uiso 1 1 calc R
H7B H 0.9115 0.5482 0.9342 0.075 Uiso 1 1 calc R
H7C H 0.8027 0.4523 0.8367 0.075 Uiso 1 1 calc R
C8 C 0.4526(4) 0.4636(3) 0.8627(3) 0.0325(8) Uani 1 1 d .
H8 H 0.5089 0.4069 0.8815 0.039 Uiso 1 1 calc R
C9 C 0.2971(5) 0.4335(3) 0.8264(3) 0.0368(9) Uani 1 1 d .
H9 H 0.2461 0.3570 0.8218 0.044 Uiso 1 1 calc R
C10 C 0.2139(4) 0.5124(3) 0.7965(3) 0.0335(9) Uani 1 1 d .
H10 H 0.1061 0.4900 0.7714 0.040 Uiso 1 1 calc R
C11 C 0.2860(4) 0.6251(3) 0.8025(3) 0.0258(7) Uani 1 1 d .
C12 C 0.2016(4) 0.7133(3) 0.7677(3) 0.0354(9) Uani 1 1 d .
H12A H 0.2666 0.7297 0.7160 0.042 Uiso 1 1 calc R
H12B H 0.1970 0.7937 0.8289 0.042 Uiso 1 1 calc R
C13 C 0.0341(5) 0.6700(4) 0.7199(4) 0.0499(12) Uani 1 1 d .
H13A H 0.0363 0.5908 0.6587 0.075 Uiso 1 1 calc R
H13B H -0.0083 0.7330 0.6986 0.075 Uiso 1 1 calc R
H13C H -0.0339 0.6581 0.7716 0.075 Uiso 1 1 calc R
C14 C 0.6869(4) 1.0442(3) 0.7757(2) 0.0212(7) Uani 1 1 d .
C15 C 0.5797(4) 1.0961(3) 0.7293(3) 0.0259(8) Uani 1 1 d .
C16 C 0.4025(4) 1.0656(3) 0.7230(3) 0.0321(8) Uani 1 1 d .
H16A H 0.3465 1.1393 0.7268 0.039 Uiso 1 1 calc R
H16B H 0.3735 1.0469 0.7837 0.039 Uiso 1 1 calc R
C17 C 0.3475(5) 0.9541(4) 0.6222(4) 0.0489(11) Uani 1 1 d .
H17A H 0.3803 0.9706 0.5619 0.073 Uiso 1 1 calc R
H17B H 0.2313 0.9409 0.6192 0.073 Uiso 1 1 calc R
H17C H 0.3956 0.8792 0.6210 0.073 Uiso 1 1 calc R
C18 C 0.6412(5) 1.1764(3) 0.6857(3) 0.0350(9) Uani 1 1 d .
H18 H 0.5707 1.2150 0.6556 0.042 Uiso 1 1 calc R
C19 C 0.8027(5) 1.2004(4) 0.6857(3) 0.0419(10) Uani 1 1 d .
H19 H 0.8428 1.2525 0.6531 0.050 Uiso 1 1 calc R
C20 C 0.9068(4) 1.1496(3) 0.7324(3) 0.0348(9) Uani 1 1 d .
H20 H 1.0180 1.1688 0.7334 0.042 Uiso 1 1 calc R
C21 C 0.8515(4) 1.0704(3) 0.7782(3) 0.0264(8) Uani 1 1 d .
C22 C 0.9674(4) 1.0184(4) 0.8305(3) 0.0365(9) Uani 1 1 d .
H22A H 1.0583 0.9895 0.7854 0.044 Uiso 1 1 calc R
H22B H 0.9149 0.9451 0.8383 0.044 Uiso 1 1 calc R
C23 C 1.0290(6) 1.1122(5) 0.9365(4) 0.0696(15) Uani 1 1 d .
H23A H 1.0778 1.1863 0.9298 0.104 Uiso 1 1 calc R
H23B H 1.1086 1.0751 0.9654 0.104 Uiso 1 1 calc R
H23C H 0.9407 1.1362 0.9833 0.104 Uiso 1 1 calc R
C24 C 0.6804(5) 0.4096(3) 0.5437(3) 0.0382(10) Uani 1 1 d .
H24A H 0.6071 0.3845 0.5862 0.057 Uiso 1 1 calc R
H24B H 0.7882 0.3885 0.5552 0.057 Uiso 1 1 calc R
H24C H 0.6468 0.3656 0.4696 0.057 Uiso 1 1 calc R
C25 C 0.6793(4) 0.5481(3) 0.5745(3) 0.0261(8) Uani 1 1 d .
C26 C 0.7386(4) 0.6010(3) 0.5091(3) 0.0296(8) Uani 1 1 d .
H26 H 0.7704 0.5472 0.4422 0.036 Uiso 1 1 calc R
C27 C 0.7539(4) 0.7289(3) 0.5366(3) 0.0271(8) Uani 1 1 d .
C28 C 0.8226(5) 0.7824(4) 0.4643(3) 0.0445(11) Uani 1 1 d .
H28A H 0.7509 0.8415 0.4563 0.067 Uiso 1 1 calc R
H28B H 0.8354 0.7148 0.3959 0.067 Uiso 1 1 calc R
H28C H 0.9265 0.8258 0.4935 0.067 Uiso 1 1 calc R
N1 N 0.5200(3) 0.7689(2) 0.8433(2) 0.0202(6) Uani 1 1 d .
N2 N 0.6275(3) 0.9522(2) 0.8114(2) 0.0204(6) Uani 1 1 d .
Ni1 Ni 0.62321(5) 0.77993(4) 0.72984(3) 0.01919(14) Uani 1 1 d .
O1 O 0.6248(3) 0.60850(19) 0.66387(17) 0.0243(5) Uani 1 1 d .
O2 O 0.7162(3) 0.8102(2) 0.62381(17) 0.0265(5) 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
N1 C1 C3 127.3(3) . 2_677
N1 C1 C2 112.1(3) . .
C3 C1 C2 120.5(3) 2_677 .
N2 C2 C3 127.4(3) . .
N2 C2 C1 112.4(3) . .
C3 C2 C1 120.2(3) . .
C2 C3 C1 119.3(3) . 2_677
C2 C3 H3 120.4 . .
C1 C3 H3 120.4 2_677 .
C5 C4 C11 122.2(3) . .
C5 C4 N1 120.0(3) . .
C11 C4 N1 117.7(3) . .
C4 C5 C8 117.6(3) . .
C4 C5 C6 119.8(3) . .
C8 C5 C6 122.6(3) . .
C5 C6 C7 116.4(3) . .
C5 C6 H6A 108.2 . .
C7 C6 H6A 108.2 . .
C5 C6 H6B 108.2 . .
C7 C6 H6B 108.2 . .
H6A C6 H6B 107.3 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C5 120.8(3) . .
C9 C8 H8 119.6 . .
C5 C8 H8 119.6 . .
C8 C9 C10 120.8(3) . .
C8 C9 H9 119.6 . .
C10 C9 H9 119.6 . .
C9 C10 C11 120.7(4) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C10 C11 C4 117.8(3) . .
C10 C11 C12 122.8(3) . .
C4 C11 C12 119.4(3) . .
C11 C12 C13 116.3(3) . .
C11 C12 H12A 108.2 . .
C13 C12 H12A 108.2 . .
C11 C12 H12B 108.2 . .
C13 C12 H12B 108.2 . .
H12A C12 H12B 107.4 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C21 121.6(3) . .
C15 C14 N2 118.7(3) . .
C21 C14 N2 119.4(3) . .
C18 C15 C14 117.9(3) . .
C18 C15 C16 119.8(3) . .
C14 C15 C16 122.2(3) . .
C15 C16 C17 112.1(3) . .
C15 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
C15 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
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 . .
C19 C18 C15 120.8(4) . .
C19 C18 H18 119.6 . .
C15 C18 H18 119.6 . .
C20 C19 C18 120.6(4) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C19 C20 C21 120.8(4) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C20 C21 C14 118.2(3) . .
C20 C21 C22 119.7(3) . .
C14 C21 C22 122.1(3) . .
C21 C22 C23 112.8(3) . .
C21 C22 H22A 109.0 . .
C23 C22 H22A 109.0 . .
C21 C22 H22B 109.0 . .
C23 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 H24A 109.5 . .
C25 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C25 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O1 C25 C26 125.1(3) . .
O1 C25 C24 114.7(3) . .
C26 C25 C24 120.2(3) . .
C25 C26 C27 123.1(3) . .
C25 C26 H26 118.4 . .
C27 C26 H26 118.4 . .
O2 C27 C26 124.3(3) . .
O2 C27 C28 114.4(3) . .
C26 C27 C28 121.3(3) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C1 N1 C4 120.0(3) . .
C1 N1 Ni1 115.9(2) . .
C4 N1 Ni1 123.7(2) . .
C2 N2 C14 120.8(3) . .
C2 N2 Ni1 116.1(2) . .
C14 N2 Ni1 123.1(2) . .
O2 Ni1 O1 94.92(10) . .
O2 Ni1 N1 173.00(10) . .
O1 Ni1 N1 91.69(10) . .
O2 Ni1 N2 90.29(11) . .
O1 Ni1 N2 173.36(11) . .
N1 Ni1 N2 83.28(11) . .
C25 O1 Ni1 125.7(2) . .
C27 O2 Ni1 126.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.332(4) .
C1 C3 1.394(4) 2_677
C1 C2 1.486(4) .
C2 N2 1.322(4) .
C2 C3 1.394(4) .
C3 C1 1.394(4) 2_677
C3 H3 0.9500 .
C4 C5 1.393(5) .
C4 C11 1.397(5) .
C4 N1 1.433(4) .
C5 C8 1.399(5) .
C5 C6 1.501(5) .
C6 C7 1.511(5) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.369(5) .
C8 H8 0.9500 .
C9 C10 1.374(5) .
C9 H9 0.9500 .
C10 C11 1.392(5) .
C10 H10 0.9500 .
C11 C12 1.508(5) .
C12 C13 1.517(5) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.397(5) .
C14 C21 1.401(4) .
C14 N2 1.429(4) .
C15 C18 1.395(5) .
C15 C16 1.508(5) .
C16 C17 1.528(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.375(5) .
C18 H18 0.9500 .
C19 C20 1.374(5) .
C19 H19 0.9500 .
C20 C21 1.389(5) .
C20 H20 0.9500 .
C21 C22 1.498(5) .
C22 C23 1.506(6) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.503(5) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 O1 1.276(4) .
C25 C26 1.382(5) .
C26 C27 1.388(5) .
C26 H26 0.9500 .
C27 O2 1.271(4) .
C27 C28 1.497(5) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
N1 Ni1 1.873(3) .
N2 Ni1 1.876(3) .
Ni1 O2 1.839(2) .
Ni1 O1 1.845(2) .
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
N1 C1 C2 N2 1.1(4) . .
C3 C1 C2 N2 -177.5(3) 2_677 .
N1 C1 C2 C3 179.5(3) . .
C3 C1 C2 C3 0.9(5) 2_677 .
N2 C2 C3 C1 177.2(3) . 2_677
C1 C2 C3 C1 -0.9(5) . 2_677
C11 C4 C5 C8 0.3(5) . .
N1 C4 C5 C8 -175.9(3) . .
C11 C4 C5 C6 -178.3(3) . .
N1 C4 C5 C6 5.6(5) . .
C4 C5 C6 C7 -157.1(3) . .
C8 C5 C6 C7 24.4(5) . .
C4 C5 C8 C9 -1.5(5) . .
C6 C5 C8 C9 177.0(3) . .
C5 C8 C9 C10 1.4(6) . .
C8 C9 C10 C11 0.0(6) . .
C9 C10 C11 C4 -1.1(5) . .
C9 C10 C11 C12 178.2(3) . .
C5 C4 C11 C10 1.0(5) . .
N1 C4 C11 C10 177.3(3) . .
C5 C4 C11 C12 -178.3(3) . .
N1 C4 C11 C12 -2.1(5) . .
C10 C11 C12 C13 -3.0(5) . .
C4 C11 C12 C13 176.3(3) . .
C21 C14 C15 C18 -0.5(5) . .
N2 C14 C15 C18 -173.8(3) . .
C21 C14 C15 C16 178.1(3) . .
N2 C14 C15 C16 4.7(5) . .
C18 C15 C16 C17 87.6(4) . .
C14 C15 C16 C17 -90.9(4) . .
C14 C15 C18 C19 2.0(5) . .
C16 C15 C18 C19 -176.6(3) . .
C15 C18 C19 C20 -2.6(6) . .
C18 C19 C20 C21 1.7(6) . .
C19 C20 C21 C14 -0.2(5) . .
C19 C20 C21 C22 -178.8(4) . .
C15 C14 C21 C20 -0.4(5) . .
N2 C14 C21 C20 172.9(3) . .
C15 C14 C21 C22 178.1(3) . .
N2 C14 C21 C22 -8.6(5) . .
C20 C21 C22 C23 76.8(5) . .
C14 C21 C22 C23 -101.8(4) . .
O1 C25 C26 C27 3.8(6) . .
C24 C25 C26 C27 -174.2(3) . .
C25 C26 C27 O2 0.3(6) . .
C25 C26 C27 C28 178.4(4) . .
C3 C1 N1 C4 7.2(5) 2_677 .
C2 C1 N1 C4 -171.3(3) . .
C3 C1 N1 Ni1 -179.6(3) 2_677 .
C2 C1 N1 Ni1 1.9(3) . .
C5 C4 N1 C1 -97.2(4) . .
C11 C4 N1 C1 86.4(4) . .
C5 C4 N1 Ni1 90.1(3) . .
C11 C4 N1 Ni1 -86.3(3) . .
C3 C2 N2 C14 -2.2(5) . .
C1 C2 N2 C14 176.1(3) . .
C3 C2 N2 Ni1 178.1(3) . .
C1 C2 N2 Ni1 -3.7(3) . .
C15 C14 N2 C2 -85.7(4) . .
C21 C14 N2 C2 100.8(4) . .
C15 C14 N2 Ni1 94.1(3) . .
C21 C14 N2 Ni1 -79.4(3) . .
C1 N1 Ni1 O2 -26.6(11) . .
C4 N1 Ni1 O2 146.4(8) . .
C1 N1 Ni1 O1 172.5(2) . .
C4 N1 Ni1 O1 -14.5(3) . .
C1 N1 Ni1 N2 -3.1(2) . .
C4 N1 Ni1 N2 169.9(3) . .
C2 N2 Ni1 O2 -178.9(2) . .
C14 N2 Ni1 O2 1.3(3) . .
C2 N2 Ni1 O1 -37.2(10) . .
C14 N2 Ni1 O1 143.1(8) . .
C2 N2 Ni1 N1 3.8(2) . .
C14 N2 Ni1 N1 -175.9(3) . .
C26 C25 O1 Ni1 -3.9(5) . .
C24 C25 O1 Ni1 174.3(2) . .
O2 Ni1 O1 C25 0.7(3) . .
N1 Ni1 O1 C25 178.4(3) . .
N2 Ni1 O1 C25 -140.9(9) . .
C26 C27 O2 Ni1 -3.9(5) . .
C28 C27 O2 Ni1 177.9(2) . .
O1 Ni1 O2 C27 3.1(3) . .
N1 Ni1 O2 C27 -157.7(8) . .
N2 Ni1 O2 C27 179.0(3) . .
