#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:51:47 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179543 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/12/4501298.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_4501298
loop_
_publ_author_name
'Hara, Satomi'
'Houjou, Hirohiko'
'Yoshikawa, Isao'
'Araki, Koji'
_publ_section_title
;
 Relation between Crystal Packing and Optical Anisotropy for Schiff
 Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding
 Networks
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5113
_journal_paper_doi               10.1021/cg201013v
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C50 H72 N2 Ni O4, C3 H6 O'
_chemical_formula_sum            'C53 H78 N2 Ni O5'
_chemical_formula_weight         881.88
_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                105.351(1)
_cell_angle_beta                 104.803(2)
_cell_angle_gamma                93.052(2)
_cell_formula_units_Z            1
_cell_length_a                   9.437(1)
_cell_length_b                   11.538(1)
_cell_length_c                   11.999(1)
_cell_measurement_reflns_used    11483
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      73.31
_cell_measurement_theta_min      3.98
_cell_volume                     1207.79(19)
_computing_cell_refinement       Scalepack
_computing_data_collection       'MacScience Xpress'
_computing_data_reduction        'Denzo and Scalepack'
_computing_molecular_graphics    maXus
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'MacScience DIPLabo'
_diffrn_measurement_method       IP
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11483
_diffrn_reflns_theta_full        69.99
_diffrn_reflns_theta_max         73.31
_diffrn_reflns_theta_min         3.98
_exptl_absorpt_coefficient_mu    0.947
_exptl_absorpt_correction_T_max  0.8657
_exptl_absorpt_correction_T_min  0.7839
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'abscor (MacScience Co. Ltd., 2000)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             478
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.217
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4570
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0622
_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)+(0.0522P)²+1.1817P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.1530
_reflns_number_gt                4417
_reflns_number_total             4570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201013v_si_001.cif
_cod_data_source_block           1nc14ni
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4501298
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 0.5000 0.5000 0.03707(19) Uani 1 2 d S . .
O1 O 0.51373(18) 0.48935(18) 0.65373(16) 0.0448(4) Uani 1 1 d . . .
C1 C 0.3965(3) 0.4827(2) 0.6946(2) 0.0386(5) Uani 1 1 d . . .
C2 C 0.4183(3) 0.5197(3) 0.8210(2) 0.0432(6) Uani 1 1 d . . .
H1 H 0.5134 0.5451 0.8722 0.052 Uiso 1 1 calc R . .
C3 C 0.3023(3) 0.5186(3) 0.8681(2) 0.0438(6) Uani 1 1 d . . .
H2 H 0.3198 0.5433 0.9513 0.053 Uiso 1 1 calc R . .
C4 C 0.1542(3) 0.4806(2) 0.7938(2) 0.0384(5) Uani 1 1 d . . .
C5 C 0.0335(3) 0.4883(3) 0.8436(2) 0.0423(6) Uani 1 1 d . . .
H3 H 0.0505 0.5166 0.9266 0.051 Uiso 1 1 calc R . .
C6 C -0.1075(3) 0.4548(3) 0.7712(3) 0.0437(6) Uani 1 1 d . . .
O2 O -0.2233(2) 0.4659(2) 0.82164(19) 0.0574(6) Uani 1 1 d . . .
H4 H -0.2996 0.4657 0.7700 0.086 Uiso 1 1 calc R . .
C7 C -0.1329(3) 0.4096(3) 0.6469(3) 0.0444(6) Uani 1 1 d . . .
H5 H -0.2293 0.3841 0.5980 0.053 Uiso 1 1 calc R . .
C8 C -0.0179(3) 0.4023(3) 0.5955(2) 0.0435(6) Uani 1 1 d . . .
H6 H -0.0377 0.3735 0.5123 0.052 Uiso 1 1 calc R . .
C9 C 0.1301(3) 0.4379(2) 0.6674(2) 0.0366(5) Uani 1 1 d . . .
C10 C 0.2543(3) 0.4363(2) 0.6187(2) 0.0356(5) Uani 1 1 d . . .
C11 C 0.2372(3) 0.3720(2) 0.4952(2) 0.0408(6) Uani 1 1 d . . .
H7 H 0.1498 0.3202 0.4538 0.049 Uiso 1 1 calc R . .
N1 N 0.3335(2) 0.3798(2) 0.43623(19) 0.0412(5) Uani 1 1 d . . .
C12 C 0.3018(3) 0.2878(3) 0.3172(2) 0.0493(7) Uani 1 1 d . . .
H8 H 0.3380 0.3224 0.2628 0.059 Uiso 1 1 calc R . .
H9 H 0.1957 0.2660 0.2839 0.059 Uiso 1 1 calc R . .
C13 C 0.3730(4) 0.1748(3) 0.3259(3) 0.0590(8) Uani 1 1 d . . .
H10 H 0.3216 0.1082 0.2560 0.071 Uiso 1 1 calc R . .
H11 H 0.3604 0.1545 0.3966 0.071 Uiso 1 1 calc R . .
C14 C 0.5361(4) 0.1864(3) 0.3337(3) 0.0583(8) Uani 1 1 d . . .
H12 H 0.5812 0.1265 0.3698 0.070 Uiso 1 1 calc R . .
H13 H 0.5827 0.2659 0.3861 0.070 Uiso 1 1 calc R . .
C15 C 0.5658(4) 0.1692(3) 0.2119(3) 0.0565(7) Uani 1 1 d . . .
H14 H 0.5228 0.0882 0.1612 0.068 Uiso 1 1 calc R . .
H15 H 0.5157 0.2262 0.1743 0.068 Uiso 1 1 calc R . .
C16 C 0.7271(3) 0.1862(3) 0.2163(3) 0.0578(8) Uani 1 1 d . . .
H16 H 0.7784 0.1319 0.2572 0.069 Uiso 1 1 calc R . .
H17 H 0.7692 0.2686 0.2634 0.069 Uiso 1 1 calc R . .
C17 C 0.7538(3) 0.1626(3) 0.0931(3) 0.0563(7) Uani 1 1 d . . .
H18 H 0.7130 0.0799 0.0462 0.068 Uiso 1 1 calc R . .
H19 H 0.7015 0.2161 0.0517 0.068 Uiso 1 1 calc R . .
C18 C 0.9158(3) 0.1815(3) 0.0985(3) 0.0568(7) Uani 1 1 d . . .
H20 H 0.9663 0.1244 0.1357 0.068 Uiso 1 1 calc R . .
H21 H 0.9575 0.2625 0.1502 0.068 Uiso 1 1 calc R . .
C19 C 0.9468(4) 0.1666(3) -0.0222(3) 0.0610(8) Uani 1 1 d . . .
H22 H 0.8954 0.2226 -0.0604 0.073 Uiso 1 1 calc R . .
H23 H 0.9078 0.0851 -0.0735 0.073 Uiso 1 1 calc R . .
C20 C 1.1104(4) 0.1891(3) -0.0117(3) 0.0611(8) Uani 1 1 d . . .
H24 H 1.1477 0.2719 0.0369 0.073 Uiso 1 1 calc R . .
H25 H 1.1619 0.1360 0.0307 0.073 Uiso 1 1 calc R . .
C21 C 1.1475(4) 0.1695(3) -0.1303(3) 0.0584(8) Uani 1 1 d . . .
H26 H 1.0979 0.2237 -0.1722 0.070 Uiso 1 1 calc R . .
H27 H 1.1092 0.0871 -0.1797 0.070 Uiso 1 1 calc R . .
C22 C 1.3117(4) 0.1905(3) -0.1171(3) 0.0594(8) Uani 1 1 d . . .
H28 H 1.3495 0.2730 -0.0680 0.071 Uiso 1 1 calc R . .
H29 H 1.3610 0.1367 -0.0745 0.071 Uiso 1 1 calc R . .
C23 C 1.3516(4) 0.1705(3) -0.2348(3) 0.0576(8) Uani 1 1 d . . .
H30 H 1.3123 0.0884 -0.2846 0.069 Uiso 1 1 calc R . .
H31 H 1.3041 0.2254 -0.2768 0.069 Uiso 1 1 calc R . .
C24 C 1.5152(4) 0.1892(4) -0.2207(3) 0.0668(9) Uani 1 1 d . . .
H32 H 1.5626 0.1336 -0.1796 0.080 Uiso 1 1 calc R . .
H33 H 1.5547 0.2710 -0.1700 0.080 Uiso 1 1 calc R . .
C25 C 1.5550(5) 0.1708(4) -0.3382(4) 0.0853(12) Uani 1 1 d . . .
H34 H 1.5146 0.2293 -0.3770 0.128 Uiso 1 1 calc R . .
H35 H 1.5151 0.0906 -0.3897 0.128 Uiso 1 1 calc R . .
H36 H 1.6606 0.1808 -0.3223 0.128 Uiso 1 1 calc R . .
O3 O 0.0315(12) 0.1061(8) 0.4273(10) 0.150(4) Uani 0.50 1 d PD A -1
C26 C 0.0100(13) 0.0321(8) 0.4749(10) 0.098(4) Uani 0.50 1 d PD A -1
C27 C 0.078(2) -0.0830(13) 0.4613(18) 0.122(7) Uani 0.50 1 d PD A -1
H37 H 0.1446 -0.0843 0.4127 0.183 Uiso 0.50 1 calc PR A -1
H38 H 0.0017 -0.1508 0.4234 0.183 Uiso 0.50 1 calc PR A -1
H39 H 0.1313 -0.0880 0.5393 0.183 Uiso 0.50 1 calc PR A -1
C28 C -0.109(2) 0.031(3) 0.543(2) 0.201(16) Uani 0.50 1 d PD A -1
H40 H -0.0886 0.1034 0.6098 0.301 Uiso 0.50 1 calc PR A -1
H41 H -0.1073 -0.0387 0.5718 0.301 Uiso 0.50 1 calc PR A -1
H42 H -0.2046 0.0292 0.4893 0.301 Uiso 0.50 1 calc PR A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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 180.0 2_666 .
O1 Ni1 N1 90.45(8) 2_666 2_666
O1 Ni1 N1 89.55(8) . 2_666
O1 Ni1 N1 89.55(8) 2_666 .
O1 Ni1 N1 90.45(8) . .
N1 Ni1 N1 180.0 2_666 .
C1 O1 Ni1 122.56(16) . .
O1 C1 C10 122.8(2) . .
O1 C1 C2 118.2(2) . .
C10 C1 C2 119.0(2) . .
C3 C2 C1 120.9(2) . .
C3 C2 H1 119.5 . .
C1 C2 H1 119.5 . .
C2 C3 C4 121.9(2) . .
C2 C3 H2 119.1 . .
C4 C3 H2 119.1 . .
C5 C4 C9 120.4(2) . .
C5 C4 C3 121.3(2) . .
C9 C4 C3 118.3(2) . .
C6 C5 C4 120.6(2) . .
C6 C5 H3 119.7 . .
C4 C5 H3 119.7 . .
C5 C6 O2 119.5(2) . .
C5 C6 C7 119.7(2) . .
O2 C6 C7 120.8(2) . .
C6 O2 H4 109.5 . .
C8 C7 C6 121.1(2) . .
C8 C7 H5 119.5 . .
C6 C7 H5 119.5 . .
C7 C8 C9 120.9(2) . .
C7 C8 H6 119.6 . .
C9 C8 H6 119.6 . .
C8 C9 C4 117.3(2) . .
C8 C9 C10 123.4(2) . .
C4 C9 C10 119.3(2) . .
C1 C10 C11 118.9(2) . .
C1 C10 C9 120.3(2) . .
C11 C10 C9 120.2(2) . .
N1 C11 C10 125.5(2) . .
N1 C11 H7 117.2 . .
C10 C11 H7 117.2 . .
C11 N1 C12 114.7(2) . .
C11 N1 Ni1 121.57(19) . .
C12 N1 Ni1 123.68(17) . .
N1 C12 C13 112.0(2) . .
N1 C12 H8 109.2 . .
C13 C12 H8 109.2 . .
N1 C12 H9 109.2 . .
C13 C12 H9 109.2 . .
H8 C12 H9 107.9 . .
C12 C13 C14 114.3(3) . .
C12 C13 H10 108.7 . .
C14 C13 H10 108.7 . .
C12 C13 H11 108.7 . .
C14 C13 H11 108.7 . .
H10 C13 H11 107.6 . .
C13 C14 C15 113.2(3) . .
C13 C14 H12 108.9 . .
C15 C14 H12 108.9 . .
C13 C14 H13 108.9 . .
C15 C14 H13 108.9 . .
H12 C14 H13 107.8 . .
C16 C15 C14 114.9(3) . .
C16 C15 H14 108.5 . .
C14 C15 H14 108.5 . .
C16 C15 H15 108.5 . .
C14 C15 H15 108.5 . .
H14 C15 H15 107.5 . .
C15 C16 C17 113.8(3) . .
C15 C16 H16 108.8 . .
C17 C16 H16 108.8 . .
C15 C16 H17 108.8 . .
C17 C16 H17 108.8 . .
H16 C16 H17 107.7 . .
C18 C17 C16 113.3(3) . .
C18 C17 H18 108.9 . .
C16 C17 H18 108.9 . .
C18 C17 H19 108.9 . .
C16 C17 H19 108.9 . .
H18 C17 H19 107.7 . .
C17 C18 C19 115.1(3) . .
C17 C18 H20 108.5 . .
C19 C18 H20 108.5 . .
C17 C18 H21 108.5 . .
C19 C18 H21 108.5 . .
H20 C18 H21 107.5 . .
C18 C19 C20 113.1(3) . .
C18 C19 H22 109.0 . .
C20 C19 H22 109.0 . .
C18 C19 H23 109.0 . .
C20 C19 H23 109.0 . .
H22 C19 H23 107.8 . .
C21 C20 C19 115.0(3) . .
C21 C20 H24 108.5 . .
C19 C20 H24 108.5 . .
C21 C20 H25 108.5 . .
C19 C20 H25 108.5 . .
H24 C20 H25 107.5 . .
C20 C21 C22 113.8(3) . .
C20 C21 H26 108.8 . .
C22 C21 H26 108.8 . .
C20 C21 H27 108.8 . .
C22 C21 H27 108.8 . .
H26 C21 H27 107.7 . .
C23 C22 C21 114.8(3) . .
C23 C22 H28 108.6 . .
C21 C22 H28 108.6 . .
C23 C22 H29 108.6 . .
C21 C22 H29 108.6 . .
H28 C22 H29 107.5 . .
C24 C23 C22 114.3(3) . .
C24 C23 H30 108.7 . .
C22 C23 H30 108.7 . .
C24 C23 H31 108.7 . .
C22 C23 H31 108.7 . .
H30 C23 H31 107.6 . .
C23 C24 C25 114.3(3) . .
C23 C24 H32 108.7 . .
C25 C24 H32 108.7 . .
C23 C24 H33 108.7 . .
C25 C24 H33 108.7 . .
H32 C24 H33 107.6 . .
C24 C25 H34 109.5 . .
C24 C25 H35 109.5 . .
H34 C25 H35 109.5 . .
C24 C25 H36 109.5 . .
H34 C25 H36 109.5 . .
H35 C25 H36 109.5 . .
O3 C26 C27 124.0(13) . .
O3 C26 C28 124.8(16) . .
C27 C26 C28 110.6(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 1.8531(18) 2_666
Ni1 O1 1.8531(18) .
Ni1 N1 1.889(2) 2_666
Ni1 N1 1.889(2) .
O1 C1 1.326(3) .
C1 C10 1.399(3) .
C1 C2 1.419(4) .
C2 C3 1.355(4) .
C2 H1 0.9300 .
C3 C4 1.425(4) .
C3 H2 0.9300 .
C4 C5 1.411(3) .
C4 C9 1.418(4) .
C5 C6 1.361(4) .
C5 H3 0.9300 .
C6 O2 1.374(3) .
C6 C7 1.395(4) .
O2 H4 0.8200 .
C7 C8 1.375(4) .
C7 H5 0.9300 .
C8 C9 1.414(4) .
C8 H6 0.9300 .
C9 C10 1.436(3) .
C10 C11 1.434(3) .
C11 N1 1.300(3) .
C11 H7 0.9300 .
N1 C12 1.484(3) .
C12 C13 1.514(4) .
C12 H8 0.9700 .
C12 H9 0.9700 .
C13 C14 1.514(5) .
C13 H10 0.9700 .
C13 H11 0.9700 .
C14 C15 1.521(4) .
C14 H12 0.9700 .
C14 H13 0.9700 .
C15 C16 1.510(4) .
C15 H14 0.9700 .
C15 H15 0.9700 .
C16 C17 1.520(4) .
C16 H16 0.9700 .
C16 H17 0.9700 .
C17 C18 1.515(4) .
C17 H18 0.9700 .
C17 H19 0.9700 .
C18 C19 1.518(4) .
C18 H20 0.9700 .
C18 H21 0.9700 .
C19 C20 1.519(4) .
C19 H22 0.9700 .
C19 H23 0.9700 .
C20 C21 1.514(4) .
C20 H24 0.9700 .
C20 H25 0.9700 .
C21 C22 1.516(4) .
C21 H26 0.9700 .
C21 H27 0.9700 .
C22 C23 1.515(4) .
C22 H28 0.9700 .
C22 H29 0.9700 .
C23 C24 1.507(5) .
C23 H30 0.9700 .
C23 H31 0.9700 .
C24 C25 1.515(5) .
C24 H32 0.9700 .
C24 H33 0.9700 .
C25 H34 0.9600 .
C25 H35 0.9600 .
C25 H36 0.9600 .
O3 C26 1.181(11) .
C26 C27 1.495(14) .
C26 C28 1.548(16) .
C27 H37 0.9600 .
C27 H38 0.9600 .
C27 H39 0.9600 .
C28 H40 0.9600 .
C28 H41 0.9600 .
C28 H42 0.9600 .
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
N1 Ni1 O1 C1 136.7(2) 2_666
N1 Ni1 O1 C1 -43.3(2) .
Ni1 O1 C1 C10 25.8(3) .
Ni1 O1 C1 C2 -156.80(19) .
O1 C1 C2 C3 177.9(3) .
C10 C1 C2 C3 -4.6(4) .
C1 C2 C3 C4 0.0(4) .
C2 C3 C4 C5 -175.2(3) .
C2 C3 C4 C9 2.9(4) .
C9 C4 C5 C6 0.2(4) .
C3 C4 C5 C6 178.2(3) .
C4 C5 C6 O2 -178.4(2) .
C4 C5 C6 C7 1.5(4) .
C5 C6 C7 C8 -2.3(4) .
O2 C6 C7 C8 177.7(3) .
C6 C7 C8 C9 1.4(4) .
C7 C8 C9 C4 0.3(4) .
C7 C8 C9 C10 -177.7(2) .
C5 C4 C9 C8 -1.0(4) .
C3 C4 C9 C8 -179.1(2) .
C5 C4 C9 C10 177.0(2) .
C3 C4 C9 C10 -1.1(4) .
O1 C1 C10 C11 12.5(4) .
C2 C1 C10 C11 -164.8(2) .
O1 C1 C10 C9 -176.3(2) .
C2 C1 C10 C9 6.3(4) .
C8 C9 C10 C1 174.4(3) .
C4 C9 C10 C1 -3.5(4) .
C8 C9 C10 C11 -14.5(4) .
C4 C9 C10 C11 167.5(2) .
C1 C10 C11 N1 -20.5(4) .
C9 C10 C11 N1 168.3(3) .
C10 C11 N1 C12 169.3(2) .
C10 C11 N1 Ni1 -10.6(4) .
O1 Ni1 N1 C11 -144.7(2) 2_666
O1 Ni1 N1 C11 35.3(2) .
O1 Ni1 N1 C12 35.4(2) 2_666
O1 Ni1 N1 C12 -144.6(2) .
C11 N1 C12 C13 -90.7(3) .
Ni1 N1 C12 C13 89.1(3) .
N1 C12 C13 C14 -79.4(3) .
C12 C13 C14 C15 -80.8(3) .
C13 C14 C15 C16 177.1(3) .
C14 C15 C16 C17 177.2(3) .
C15 C16 C17 C18 179.2(3) .
C16 C17 C18 C19 -176.3(3) .
C17 C18 C19 C20 178.8(3) .
C18 C19 C20 C21 177.2(3) .
C19 C20 C21 C22 -179.0(3) .
C20 C21 C22 C23 179.6(3) .
C21 C22 C23 C24 -178.9(3) .
C22 C23 C24 C25 -179.3(3) .
