#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:51:47 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179543 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/12/4501293.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_4501293
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         'C30H32N2NiO4, C2H6O'
_chemical_formula_sum            'C32 H38 N2 Ni O5'
_chemical_formula_weight         589.35
_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                100.112(2)
_cell_angle_beta                 104.855(2)
_cell_angle_gamma                107.673(2)
_cell_formula_units_Z            2
_cell_length_a                   9.571(1)
_cell_length_b                   11.412(1)
_cell_length_c                   15.354(1)
_cell_measurement_reflns_used    15638
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      73.29
_cell_measurement_theta_min      3.10
_cell_volume                     1484.9(2)
_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 0.967
_diffrn_measured_fraction_theta_max 0.937
_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  0.046
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15638
_diffrn_reflns_theta_full        70.00
_diffrn_reflns_theta_max         73.29
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        NONE
_diffrn_standards_interval_count NONE
_diffrn_standards_interval_time  NONE
_diffrn_standards_number         NONE
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  0.9643
_exptl_absorpt_correction_T_min  0.8836
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'abscor (MacScience Co. Ltd., 2000)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5582
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.1429
_refine_ls_R_factor_gt           0.1345
_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)+(0.0738P)²+5.6273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2842
_refine_ls_wR_factor_ref         0.2893
_reflns_number_gt                5058
_reflns_number_total             5582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201013v_si_001.cif
_cod_data_source_block           BuNi
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4501293
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 0.0000 0.0569(5) Uani 1 2 d S . .
O1 O 0.5236(5) 0.6693(4) 0.0162(4) 0.0648(12) Uani 1 1 d . . .
C1 C 0.4074(7) 0.7082(6) 0.0191(5) 0.0559(15) Uani 1 1 d . . .
C2 C 0.4042(7) 0.8158(6) -0.0139(5) 0.0580(16) Uani 1 1 d . . .
H1 H 0.4821 0.8559 -0.0364 0.070 Uiso 1 1 calc R . .
C3 C 0.2883(8) 0.8614(6) -0.0130(5) 0.0607(16) Uani 1 1 d . . .
H2 H 0.2880 0.9318 -0.0356 0.073 Uiso 1 1 calc R . .
C4 C 0.1691(7) 0.8042(5) 0.0212(4) 0.0487(13) Uani 1 1 d . . .
C5 C 0.0470(7) 0.8507(6) 0.0184(4) 0.0518(14) Uani 1 1 d . . .
H3 H 0.0477 0.9207 -0.0049 0.062 Uiso 1 1 calc R . .
C6 C -0.0705(7) 0.7949(6) 0.0490(5) 0.0544(15) Uani 1 1 d . . .
O2 O -0.1862(5) 0.8446(4) 0.0446(4) 0.0706(14) Uani 1 1 d . . .
H4 H -0.2640 0.7904 0.0461 0.106 Uiso 1 1 calc R . .
C7 C -0.0698(7) 0.6924(6) 0.0864(5) 0.0552(15) Uani 1 1 d . . .
H5 H -0.1486 0.6559 0.1094 0.066 Uiso 1 1 calc R . .
C8 C 0.0468(7) 0.6445(6) 0.0895(4) 0.0506(14) Uani 1 1 d . . .
H6 H 0.0447 0.5750 0.1137 0.061 Uiso 1 1 calc R . .
C9 C 0.1687(6) 0.6990(5) 0.0569(4) 0.0458(13) Uani 1 1 d . . .
C10 C 0.2941(7) 0.6516(5) 0.0562(4) 0.0506(14) Uani 1 1 d . . .
C11 C 0.3121(7) 0.5568(6) 0.1031(5) 0.0518(14) Uani 1 1 d . . .
H7 H 0.2556 0.5397 0.1435 0.062 Uiso 1 1 calc R . .
N1 N 0.4009(6) 0.4925(5) 0.0940(4) 0.0574(13) Uani 1 1 d . . .
C12 C 0.4205(9) 0.4111(7) 0.1568(5) 0.0679(19) Uani 1 1 d . . .
H8 H 0.3885 0.3235 0.1198 0.082 Uiso 1 1 calc R . .
H9 H 0.3542 0.4126 0.1950 0.082 Uiso 1 1 calc R . .
C13 C 0.5868(11) 0.4552(10) 0.2198(7) 0.100(3) Uani 1 1 d . . .
H10 H 0.6186 0.5405 0.2607 0.120 Uiso 1 1 calc R . .
H11 H 0.6554 0.4567 0.1828 0.120 Uiso 1 1 calc R . .
C14 C 0.5924(16) 0.352(2) 0.2813(11) 0.219(11) Uani 1 1 d . . .
H12 H 0.5291 0.3568 0.3210 0.263 Uiso 1 1 calc R . .
H13 H 0.5476 0.2664 0.2389 0.263 Uiso 1 1 calc R . .
C15 C 0.715(3) 0.369(2) 0.3272(19) 0.287(12) Uiso 1 1 d . . .
H14 H 0.7709 0.3429 0.2884 0.430 Uiso 1 1 calc R . .
H15 H 0.7096 0.3193 0.3716 0.430 Uiso 1 1 calc R . .
H16 H 0.7681 0.4578 0.3600 0.430 Uiso 1 1 calc R . .
Ni2 Ni 0.5000 1.0000 0.5000 0.0689(5) Uani 1 2 d S . .
O3 O 0.6704(7) 1.0290(5) 0.6003(4) 0.0895(18) Uani 1 1 d . . .
C16 C 0.7175(9) 0.9422(7) 0.6307(5) 0.072(2) Uani 1 1 d . . .
C17 C 0.8175(11) 0.9781(8) 0.7232(6) 0.092(3) Uani 1 1 d . . .
H17 H 0.8455 1.0606 0.7605 0.111 Uiso 1 1 calc R . .
C18 C 0.8743(11) 0.8960(8) 0.7595(6) 0.091(3) Uani 1 1 d . . .
H18 H 0.9383 0.9233 0.8217 0.109 Uiso 1 1 calc R . .
C19 C 0.8403(9) 0.7696(7) 0.7065(5) 0.0713(19) Uani 1 1 d . . .
C20 C 0.9017(10) 0.6871(8) 0.7449(6) 0.077(2) Uani 1 1 d . . .
H19 H 0.9665 0.7149 0.8070 0.093 Uiso 1 1 calc R . .
C21 C 0.8684(10) 0.5658(8) 0.6929(6) 0.076(2) Uani 1 1 d . . .
O4 O 0.9319(10) 0.4896(6) 0.7348(4) 0.108(2) Uani 1 1 d . . .
H20 H 0.9159 0.4243 0.6952 0.162 Uiso 1 1 calc R . .
C22 C 0.7685(11) 0.5246(8) 0.6017(6) 0.085(2) Uani 1 1 d . . .
H21 H 0.7435 0.4415 0.5665 0.102 Uiso 1 1 calc R . .
C23 C 0.7052(10) 0.6032(8) 0.5619(6) 0.079(2) Uani 1 1 d . . .
H22 H 0.6379 0.5724 0.5004 0.095 Uiso 1 1 calc R . .
C24 C 0.7405(8) 0.7309(7) 0.6130(5) 0.0653(18) Uani 1 1 d . . .
C25 C 0.6780(9) 0.8187(7) 0.5739(5) 0.0677(18) Uani 1 1 d . . .
C26 C 0.5936(10) 0.7867(7) 0.4768(5) 0.076(2) Uani 1 1 d . . .
H23 H 0.5917 0.7126 0.4390 0.092 Uiso 1 1 calc R . .
N2 N 0.5189(8) 0.8506(6) 0.4357(4) 0.0783(18) Uani 1 1 d . . .
C27 C 0.4563(13) 0.8045(10) 0.3306(6) 0.101(3) Uani 1 1 d . . .
H24 H 0.3453 0.7862 0.3094 0.121 Uiso 1 1 calc R . .
H25 H 0.4727 0.7259 0.3099 0.121 Uiso 1 1 calc R . .
C28 C 0.540(2) 0.9093(19) 0.2851(8) 0.187(7) Uani 1 1 d . . .
H26 H 0.4769 0.8948 0.2208 0.224 Uiso 1 1 calc R . .
H27 H 0.5579 0.9948 0.3206 0.224 Uiso 1 1 calc R . .
C29 C 0.670(3) 0.894(3) 0.2888(19) 0.265(12) Uiso 1 1 d . . .
H28 H 0.6549 0.8117 0.2503 0.318 Uiso 1 1 calc R . .
H29 H 0.7350 0.9087 0.3524 0.318 Uiso 1 1 calc R . .
C30 C 0.734(3) 1.012(2) 0.2435(16) 0.249(10) Uiso 1 1 d . . .
H30 H 0.7202 0.9772 0.1789 0.373 Uiso 1 1 calc R . .
H31 H 0.8422 1.0593 0.2773 0.373 Uiso 1 1 calc R . .
H32 H 0.6768 1.0675 0.2478 0.373 Uiso 1 1 calc R . .
O5 O 0.091(4) 0.737(2) 0.368(2) 0.093(7) Uiso 0.37(4) 1 d P A 1
C31 C -0.013(5) 0.751(4) 0.398(4) 0.141(19) Uiso 0.37(4) 1 d P A 1
O6 O 0.138(2) 0.7338(13) 0.3946(15) 0.105(5) Uiso 0.63(4) 1 d P A 2
C32 C 0.063(3) 0.739(3) 0.464(2) 0.160(13) Uiso 0.63(4) 1 d P A 2
C33 C 0.009(3) 0.822(3) 0.474(2) 0.279(12) Uiso 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 0.0181 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 180.00(4) 2_665 .
O1 Ni1 N1 90.5(2) 2_665 .
O1 Ni1 N1 89.5(2) . .
O1 Ni1 N1 89.5(2) 2_665 2_665
O1 Ni1 N1 90.5(2) . 2_665
N1 Ni1 N1 180.000(1) . 2_665
C1 O1 Ni1 121.5(4) . .
O1 C1 C10 123.2(6) . .
O1 C1 C2 117.4(5) . .
C10 C1 C2 119.4(5) . .
C3 C2 C1 120.7(6) . .
C3 C2 H1 119.6 . .
C1 C2 H1 119.6 . .
C2 C3 C4 121.4(6) . .
C2 C3 H2 119.3 . .
C4 C3 H2 119.3 . .
C9 C4 C3 120.2(5) . .
C9 C4 C5 119.4(5) . .
C3 C4 C5 120.3(6) . .
C6 C5 C4 121.1(6) . .
C6 C5 H3 119.4 . .
C4 C5 H3 119.4 . .
C5 C6 O2 118.5(6) . .
C5 C6 C7 119.7(5) . .
O2 C6 C7 121.8(6) . .
C6 O2 H4 109.5 . .
C8 C7 C6 120.5(6) . .
C8 C7 H5 119.8 . .
C6 C7 H5 119.8 . .
C7 C8 C9 121.0(6) . .
C7 C8 H6 119.5 . .
C9 C8 H6 119.5 . .
C8 C9 C4 118.2(5) . .
C8 C9 C10 123.9(5) . .
C4 C9 C10 117.9(5) . .
C1 C10 C11 119.0(5) . .
C1 C10 C9 120.3(6) . .
C11 C10 C9 120.4(6) . .
N1 C11 C10 125.4(6) . .
N1 C11 H7 117.3 . .
C10 C11 H7 117.3 . .
C11 N1 C12 117.7(6) . .
C11 N1 Ni1 121.4(4) . .
C12 N1 Ni1 120.9(4) . .
N1 C12 C13 111.6(7) . .
N1 C12 H8 109.3 . .
C13 C12 H8 109.3 . .
N1 C12 H9 109.3 . .
C13 C12 H9 109.3 . .
H8 C12 H9 108.0 . .
C12 C13 C14 106.0(9) . .
C12 C13 H10 110.5 . .
C14 C13 H10 110.5 . .
C12 C13 H11 110.5 . .
C14 C13 H11 110.5 . .
H10 C13 H11 108.7 . .
C15 C14 C13 113(2) . .
C15 C14 H12 108.9 . .
C13 C14 H12 108.9 . .
C15 C14 H13 108.9 . .
C13 C14 H13 108.9 . .
H12 C14 H13 107.7 . .
C14 C15 H14 109.5 . .
C14 C15 H15 109.5 . .
H14 C15 H15 109.5 . .
C14 C15 H16 109.5 . .
H14 C15 H16 109.5 . .
H15 C15 H16 109.5 . .
O3 Ni2 O3 180.000(2) . 2_676
O3 Ni2 N2 88.3(3) . 2_676
O3 Ni2 N2 91.7(3) 2_676 2_676
O3 Ni2 N2 91.7(3) . .
O3 Ni2 N2 88.3(3) 2_676 .
N2 Ni2 N2 180.000(2) 2_676 .
C16 O3 Ni2 126.8(5) . .
O3 C16 C17 117.7(7) . .
O3 C16 C25 123.1(7) . .
C17 C16 C25 119.2(7) . .
C18 C17 C16 121.6(8) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 122.7(8) . .
C17 C18 H18 118.7 . .
C19 C18 H18 118.7 . .
C20 C19 C24 121.3(7) . .
C20 C19 C18 121.7(8) . .
C24 C19 C18 117.0(7) . .
C21 C20 C19 121.1(8) . .
C21 C20 H19 119.5 . .
C19 C20 H19 119.5 . .
O4 C21 C20 118.2(8) . .
O4 C21 C22 123.0(8) . .
C20 C21 C22 118.8(8) . .
C21 O4 H20 109.5 . .
C23 C22 C21 121.6(8) . .
C23 C22 H21 119.2 . .
C21 C22 H21 119.2 . .
C22 C23 C24 121.1(8) . .
C22 C23 H22 119.4 . .
C24 C23 H22 119.4 . .
C19 C24 C23 116.1(7) . .
C19 C24 C25 120.5(6) . .
C23 C24 C25 123.4(7) . .
C16 C25 C26 119.6(7) . .
C16 C25 C24 119.0(7) . .
C26 C25 C24 120.9(6) . .
N2 C26 C25 126.5(7) . .
N2 C26 H23 116.8 . .
C25 C26 H23 116.8 . .
C26 N2 C27 115.4(7) . .
C26 N2 Ni2 123.9(5) . .
C27 N2 Ni2 120.5(6) . .
N2 C27 C28 111.0(8) . .
N2 C27 H24 109.4 . .
C28 C27 H24 109.4 . .
N2 C27 H25 109.4 . .
C28 C27 H25 109.4 . .
H24 C27 H25 108.0 . .
C29 C28 C27 104.5(19) . .
C29 C28 H26 110.9 . .
C27 C28 H26 110.9 . .
C29 C28 H27 110.9 . .
C27 C28 H27 110.9 . .
H26 C28 H27 108.9 . .
C28 C29 C30 95(2) . .
C28 C29 H28 112.6 . .
C30 C29 H28 112.6 . .
C28 C29 H29 112.6 . .
C30 C29 H29 112.6 . .
H28 C29 H29 110.1 . .
C29 C30 H30 109.5 . .
C29 C30 H31 109.5 . .
H30 C30 H31 109.5 . .
C29 C30 H32 109.5 . .
H30 C30 H32 109.5 . .
H31 C30 H32 109.5 . .
C33 C31 O5 125(4) . .
C33 C32 O6 117(3) . .
C31 C33 C32 56(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 1.839(4) 2_665
Ni1 O1 1.839(4) .
Ni1 N1 1.920(5) .
Ni1 N1 1.920(5) 2_665
O1 C1 1.324(7) .
C1 C10 1.393(8) .
C1 C2 1.413(9) .
C2 C3 1.363(8) .
C2 H1 0.9300 .
C3 C4 1.408(9) .
C3 H2 0.9300 .
C4 C9 1.403(8) .
C4 C5 1.417(8) .
C5 C6 1.354(9) .
C5 H3 0.9300 .
C6 O2 1.381(7) .
C6 C7 1.392(9) .
O2 H4 0.8200 .
C7 C8 1.378(8) .
C7 H5 0.9300 .
C8 C9 1.402(8) .
C8 H6 0.9300 .
C9 C10 1.460(7) .
C10 C11 1.429(8) .
C11 N1 1.297(7) .
C11 H7 0.9300 .
N1 C12 1.468(8) .
C12 C13 1.508(11) .
C12 H8 0.9700 .
C12 H9 0.9700 .
C13 C14 1.640(18) .
C13 H10 0.9700 .
C13 H11 0.9700 .
C14 C15 1.14(3) .
C14 H12 0.9700 .
C14 H13 0.9700 .
C15 H14 0.9600 .
C15 H15 0.9600 .
C15 H16 0.9600 .
Ni2 O3 1.829(5) .
Ni2 O3 1.829(5) 2_676
Ni2 N2 1.898(6) 2_676
Ni2 N2 1.898(6) .
O3 C16 1.315(9) .
C16 C17 1.400(10) .
C16 C25 1.402(9) .
C17 C18 1.350(11) .
C17 H17 0.9300 .
C18 C19 1.419(11) .
C18 H18 0.9300 .
C19 C20 1.389(11) .
C19 C24 1.409(10) .
C20 C21 1.368(11) .
C20 H19 0.9300 .
C21 O4 1.362(9) .
C21 C22 1.380(11) .
O4 H20 0.8200 .
C22 C23 1.371(11) .
C22 H21 0.9300 .
C23 C24 1.420(10) .
C23 H22 0.9300 .
C24 C25 1.454(10) .
C25 C26 1.421(10) .
C26 N2 1.299(10) .
C26 H23 0.9300 .
N2 C27 1.503(10) .
C27 C28 1.60(2) .
C27 H24 0.9700 .
C27 H25 0.9700 .
C28 C29 1.29(2) .
C28 H26 0.9700 .
C28 H27 0.9700 .
C29 C30 1.64(3) .
C29 H28 0.9700 .
C29 H29 0.9700 .
C30 H30 0.9600 .
C30 H31 0.9600 .
C30 H32 0.9600 .
O5 C31 1.24(4) .
C31 C33 1.23(5) .
O6 C32 1.43(3) .
C32 C33 1.22(3) .
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 -47.0(5) .
N1 Ni1 O1 C1 133.0(5) 2_665
Ni1 O1 C1 C10 33.1(9) .
Ni1 O1 C1 C2 -149.6(5) .
O1 C1 C2 C3 180.0(7) .
C10 C1 C2 C3 -2.6(11) .
C1 C2 C3 C4 0.6(11) .
C2 C3 C4 C9 0.9(10) .
C2 C3 C4 C5 -177.9(6) .
C9 C4 C5 C6 -0.4(9) .
C3 C4 C5 C6 178.4(6) .
C4 C5 C6 O2 179.9(6) .
C4 C5 C6 C7 1.9(10) .
C5 C6 C7 C8 -2.2(10) .
O2 C6 C7 C8 179.8(6) .
C6 C7 C8 C9 1.2(10) .
C7 C8 C9 C4 0.3(9) .
C7 C8 C9 C10 -178.7(6) .
C3 C4 C9 C8 -179.5(6) .
C5 C4 C9 C8 -0.7(9) .
C3 C4 C9 C10 -0.5(9) .
C5 C4 C9 C10 178.3(5) .
O1 C1 C10 C11 7.3(10) .
C2 C1 C10 C11 -169.9(6) .
O1 C1 C10 C9 -179.7(6) .
C2 C1 C10 C9 3.1(10) .
C8 C9 C10 C1 177.4(6) .
C4 C9 C10 C1 -1.5(9) .
C8 C9 C10 C11 -9.7(9) .
C4 C9 C10 C11 171.3(6) .
C1 C10 C11 N1 -19.5(10) .
C9 C10 C11 N1 167.5(6) .
C10 C11 N1 C12 172.2(6) .
C10 C11 N1 Ni1 -9.2(9) .
O1 Ni1 N1 C11 -144.8(5) 2_665
O1 Ni1 N1 C11 35.2(5) .
O1 Ni1 N1 C12 33.8(5) 2_665
O1 Ni1 N1 C12 -146.2(5) .
C11 N1 C12 C13 -116.6(7) .
Ni1 N1 C12 C13 64.8(8) .
N1 C12 C13 C14 -177.1(9) .
C12 C13 C14 C15 174(2) .
N2 Ni2 O3 C16 148.4(8) 2_676
N2 Ni2 O3 C16 -31.6(8) .
Ni2 O3 C16 C17 -159.9(7) .
Ni2 O3 C16 C25 23.0(12) .
O3 C16 C17 C18 -178.5(9) .
C25 C16 C17 C18 -1.3(15) .
C16 C17 C18 C19 1.6(16) .
C17 C18 C19 C20 179.1(9) .
C17 C18 C19 C24 -1.2(14) .
C24 C19 C20 C21 0.6(13) .
C18 C19 C20 C21 -179.7(8) .
C19 C20 C21 O4 -179.8(8) .
C19 C20 C21 C22 -1.9(13) .
O4 C21 C22 C23 179.3(8) .
C20 C21 C22 C23 1.5(14) .
C21 C22 C23 C24 0.2(14) .
C20 C19 C24 C23 1.0(11) .
C18 C19 C24 C23 -178.6(8) .
C20 C19 C24 C25 -179.7(7) .
C18 C19 C24 C25 0.7(11) .
C22 C23 C24 C19 -1.4(12) .
C22 C23 C24 C25 179.3(8) .
O3 C16 C25 C26 5.3(13) .
C17 C16 C25 C26 -171.8(8) .
O3 C16 C25 C24 177.8(7) .
C17 C16 C25 C24 0.8(12) .
C19 C24 C25 C16 -0.5(11) .
C23 C24 C25 C16 178.8(7) .
C19 C24 C25 C26 171.9(7) .
C23 C24 C25 C26 -8.8(12) .
C16 C25 C26 N2 -15.3(14) .
C24 C25 C26 N2 172.3(8) .
C25 C26 N2 C27 172.7(8) .
C25 C26 N2 Ni2 -2.8(13) .
O3 Ni2 N2 C26 21.2(8) .
O3 Ni2 N2 C26 -158.8(8) 2_676
O3 Ni2 N2 C27 -154.1(7) .
O3 Ni2 N2 C27 25.9(7) 2_676
C26 N2 C27 C28 -114.6(11) .
Ni2 N2 C27 C28 61.1(12) .
N2 C27 C28 C29 81.0(18) .
C27 C28 C29 C30 -178.1(12) .
O5 C31 C33 C32 -55(4) .
O6 C32 C33 C31 48(3) .
