#------------------------------------------------------------------------------
#$Date: 2023-12-24 02:55:46 +0200 (Sun, 24 Dec 2023) $
#$Revision: 288539 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/84/4308460.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_4308460
loop_
_publ_author_name
'Yun-Bo Jiang'
'Hui-Zhong Kou'
'Ru-Ji Wang'
'Ai-Li Cui'
'Joan Ribas'
_publ_contact_author_email       KOUHZ@MAIL.TSINGHUA.EDU.CN
_publ_contact_author_name        'Hui-Zhong Kou'
_publ_section_title
;
Synthesis, Crystal Structure, and Magnetic Properties of Oxime-Bridged
Polynuclear Ni(II) and Cu(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              709
_journal_page_last               715
_journal_paper_doi               10.1021/ic048729m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H92 Cl2 N12 Ni6 O15'
_chemical_formula_weight         1356.38
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 116.385(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.111(1)
_cell_length_b                   13.1963(8)
_cell_length_c                   11.8430(7)
_cell_measurement_reflns_used    2691
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      2.33
_cell_volume                     2955.6(3)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'PLATON (Spek, 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean '15\\times15 microns'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8225
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.028
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         2973
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0488
_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)+(0.0804P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                2556
_reflns_number_total             2973
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048729msi20040921_025007_2.cif
_cod_data_source_block           Ni6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2955.65(52)
_cod_database_code               4308460
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'
'-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.10866(3) 0.0000 0.63234(6) 0.0268(2) Uani 1 2 d S . .
Ni2 Ni 0.03584(2) 0.10486(3) 0.40603(4) 0.02632(18) Uani 1 1 d . . .
O3 O 0.0000 0.0000 0.5000 0.0249(10) Uani 1 4 d S . .
O1 O 0.11520(18) 0.0000 0.4664(3) 0.0261(7) Uani 1 2 d S . .
N4 N -0.04972(17) 0.1961(2) 0.3601(3) 0.0299(7) Uani 1 1 d . . .
N3 N 0.0791(2) 0.2031(3) 0.3226(4) 0.0462(9) Uani 1 1 d . . .
O2 O -0.09604(14) 0.15939(19) 0.4053(3) 0.0295(6) Uani 1 1 d . . .
C9 C -0.0654(3) 0.2781(5) 0.3008(7) 0.080(2) Uani 1 1 d U . .
C10' C -0.1126(6) 0.3608(7) 0.3326(11) 0.055(3) Uani 0.50 1 d P . .
C10 C -0.1466(5) 0.3088(8) 0.2246(11) 0.059(3) Uani 0.50 1 d P . .
C7' C 0.0539(5) 0.3112(6) 0.3011(8) 0.0356(18) Uani 0.50 1 d P . .
C7 C 0.0224(5) 0.2696(6) 0.2109(8) 0.0369(18) Uani 0.50 1 d P . .
C8' C -0.0258(6) 0.3026(9) 0.2173(12) 0.045(2) Uani 0.50 1 d P . .
C8 C -0.0103(7) 0.3378(8) 0.2738(13) 0.047(3) Uani 0.50 1 d P . .
C11' C 0.0872(6) 0.3641(8) 0.2246(12) 0.044(2) Uani 0.50 1 d P . .
C12 C -0.0336(5) 0.2078(8) 0.1062(8) 0.050(2) Uani 0.50 1 d P . .
C11 C 0.0637(6) 0.3353(8) 0.1569(11) 0.047(2) Uani 0.50 1 d P . .
C12' C 0.0710(6) 0.3691(7) 0.4213(10) 0.051(2) Uani 0.50 1 d P . .
O4 O 0.01242(19) 0.0000 0.7432(3) 0.0305(8) Uani 1 2 d S . .
N1 N 0.2162(2) 0.0000 0.7498(4) 0.0363(11) Uani 1 2 d S . .
N2 N 0.0850(2) 0.0000 0.7794(4) 0.0302(9) Uani 1 2 d S . .
C6 C 0.2262(6) 0.1382(7) 0.9012(10) 0.052(2) Uani 0.50 1 d P . .
C5 C 0.3222(4) 0.0000 0.9564(6) 0.0526(17) Uani 1 2 d S . .
C4 C 0.2422(4) 0.0274(6) 0.8871(8) 0.038(2) Uani 0.50 1 d P . .
C3 C 0.2037(5) -0.0415(7) 0.9425(8) 0.0399(18) Uani 0.50 1 d P . .
C2 C 0.1241(4) -0.0311(5) 0.8926(7) 0.0338(18) Uani 0.50 1 d P . .
C1 C 0.0941(6) -0.0549(8) 0.9860(9) 0.054(2) Uani 0.50 1 d P . .
O6 O 0.27585(15) 0.4240(2) 0.6513(3) 0.0235(6) Uani 0.80 1 d P . .
O8 O 0.3149(6) 0.3552(8) 0.7882(11) 0.024(2) Uani 0.20 1 d P . .
O7 O 0.1774(6) 0.4096(8) 0.4466(10) 0.096(3) Uani 0.50 1 d P . .
Cl1 Cl 0.2694(2) 0.3047(3) 0.3837(5) 0.0988(12) Uani 0.50 1 d P . .
H1 H 0.1523 0.0000 0.4551 0.050 Uiso 1 2 d S . .
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'
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'
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 '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
_geom_angle_publ_flag
N2 Ni1 O1 170.64(17) . . ?
N2 Ni1 N1 92.22(19) . . ?
O1 Ni1 N1 97.13(17) . . ?
N2 Ni1 O3 92.08(14) . . ?
O1 Ni1 O3 78.56(11) . . ?
N1 Ni1 O3 175.70(13) . . ?
N2 Ni1 O2 97.13(7) . 5_556 ?
O1 Ni1 O2 81.63(7) . 5_556 ?
N1 Ni1 O2 97.91(8) . 5_556 ?
O3 Ni1 O2 81.55(7) . 5_556 ?
N2 Ni1 O2 97.13(7) . 2_556 ?
O1 Ni1 O2 81.63(7) . 2_556 ?
N1 Ni1 O2 97.91(8) . 2_556 ?
O3 Ni1 O2 81.55(7) . 2_556 ?
O2 Ni1 O2 158.21(15) 5_556 2_556 ?
N2 Ni1 Ni2 125.98(11) . 6 ?
O1 Ni1 Ni2 46.87(8) . 6 ?
N1 Ni1 Ni2 128.06(10) . 6 ?
O3 Ni1 Ni2 48.65(2) . 6 ?
O2 Ni1 Ni2 49.41(7) 5_556 6 ?
O2 Ni1 Ni2 108.81(8) 2_556 6 ?
N2 Ni1 Ni2 125.98(11) . . ?
O1 Ni1 Ni2 46.87(8) . . ?
N1 Ni1 Ni2 128.06(10) . . ?
O3 Ni1 Ni2 48.65(2) . . ?
O2 Ni1 Ni2 108.81(8) 5_556 . ?
O2 Ni1 Ni2 49.41(7) 2_556 . ?
Ni2 Ni1 Ni2 59.40(5) 6 . ?
N4 Ni2 O1 171.18(12) . . ?
N4 Ni2 N3 91.67(14) . . ?
O1 Ni2 N3 97.12(14) . . ?
N4 Ni2 O3 92.61(10) . . ?
O1 Ni2 O3 78.58(9) . . ?
N3 Ni2 O3 175.37(11) . . ?
N4 Ni2 O4 97.08(13) . 5_556 ?
O1 Ni2 O4 82.23(12) . 5_556 ?
N3 Ni2 O4 99.30(15) . 5_556 ?
O3 Ni2 O4 81.92(9) . 5_556 ?
N4 Ni2 O2 97.16(12) . 2_556 ?
O1 Ni2 O2 81.28(11) . 2_556 ?
N3 Ni2 O2 95.99(15) . 2_556 ?
O3 Ni2 O2 81.73(8) . 2_556 ?
O4 Ni2 O2 158.74(10) 5_556 2_556 ?
N4 Ni2 Ni2 126.33(9) . 6 ?
O1 Ni2 Ni2 47.33(7) . 6 ?
N3 Ni2 Ni2 128.72(11) . 6 ?
O3 Ni2 Ni2 49.14(3) . 6 ?
O4 Ni2 Ni2 49.14(7) 5_556 6 ?
O2 Ni2 Ni2 109.60(7) 2_556 6 ?
N4 Ni2 Ni1 126.51(9) . . ?
O1 Ni2 Ni1 46.52(9) . . ?
N3 Ni2 Ni1 126.61(13) . . ?
O3 Ni2 Ni1 49.00(4) . . ?
O4 Ni2 Ni1 109.44(8) 5_556 . ?
O2 Ni2 Ni1 49.30(8) 2_556 . ?
Ni2 Ni2 Ni1 60.30(3) 6 . ?
Ni2 O3 Ni2 98.28(5) 6 5_556 ?
Ni2 O3 Ni2 81.72(5) 6 . ?
Ni2 O3 Ni2 180.00(2) 5_556 . ?
Ni2 O3 Ni2 180.0 6 2_556 ?
Ni2 O3 Ni2 81.72(5) 5_556 2_556 ?
Ni2 O3 Ni2 98.28(5) . 2_556 ?
Ni2 O3 Ni1 97.65(5) 6 5_556 ?
Ni2 O3 Ni1 82.35(5) 5_556 5_556 ?
Ni2 O3 Ni1 97.65(5) . 5_556 ?
Ni2 O3 Ni1 82.35(5) 2_556 5_556 ?
Ni2 O3 Ni1 82.35(5) 6 . ?
Ni2 O3 Ni1 97.65(5) 5_556 . ?
Ni2 O3 Ni1 82.35(5) . . ?
Ni2 O3 Ni1 97.65(5) 2_556 . ?
Ni1 O3 Ni1 180.00(3) 5_556 . ?
Ni1 O1 Ni2 86.61(11) . 6 ?
Ni1 O1 Ni2 86.61(11) . . ?
Ni2 O1 Ni2 85.34(15) 6 . ?
Ni1 O1 H1 128.0 . . ?
Ni2 O1 H1 127.9 6 . ?
Ni2 O1 H1 127.9 . . ?
C9 N4 O2 117.4(3) . . ?
C9 N4 Ni2 130.1(3) . . ?
O2 N4 Ni2 112.5(2) . . ?
C7' N3 C7 42.2(5) . . ?
C7' N3 Ni2 118.4(4) . . ?
C7 N3 Ni2 114.4(4) . . ?
N4 O2 Ni1 107.78(19) . 5_556 ?
N4 O2 Ni2 109.0(2) . 2_556 ?
Ni1 O2 Ni2 81.29(9) 5_556 2_556 ?
N4 C9 C8 121.2(6) . . ?
N4 C9 C10 119.1(6) . . ?
C8 C9 C10 118.1(7) . . ?
N4 C9 C8' 116.4(6) . . ?
C8 C9 C8' 28.0(4) . . ?
C10 C9 C8' 109.1(7) . . ?
N4 C9 C10' 119.1(6) . . ?
C8 C9 C10' 107.4(7) . . ?
C10 C9 C10' 49.3(6) . . ?
C8' C9 C10' 123.6(7) . . ?
C10 C10' C9 64.0(6) . . ?
C10' C10 C9 66.7(7) . . ?
C7 C7' C8 77.5(9) . . ?
C7 C7' N3 73.3(7) . . ?
C8 C7' N3 123.5(8) . . ?
C7 C7' C12' 159.9(10) . . ?
C8 C7' C12' 83.3(9) . . ?
N3 C7' C12' 113.7(7) . . ?
C7 C7' C8' 48.0(7) . . ?
C8 C7' C8' 29.7(6) . . ?
N3 C7' C8' 104.1(7) . . ?
C12' C7' C8' 112.4(9) . . ?
C7 C7' C11' 83.9(8) . . ?
C8 C7' C11' 115.6(9) . . ?
N3 C7' C11' 108.0(7) . . ?
C12' C7' C11' 110.1(8) . . ?
C8' C7' C11' 108.1(8) . . ?
C7 C7' C11 57.4(6) . . ?
C8 C7' C11 105.0(8) . . ?
N3 C7' C11 98.3(6) . . ?
C12' C7' C11 135.2(7) . . ?
C8' C7' C11 87.5(7) . . ?
C11' C7' C11 26.4(5) . . ?
C7' C7 C8' 85.3(10) . . ?
C7' C7 C12 163.9(9) . . ?
C8' C7 C12 82.2(10) . . ?
C7' C7 C8 56.4(8) . . ?
C8' C7 C8 29.0(7) . . ?
C12 C7 C8 111.2(9) . . ?
C7' C7 C11 85.2(8) . . ?
C8' C7 C11 119.7(9) . . ?
C12 C7 C11 109.8(8) . . ?
C8 C7 C11 109.5(8) . . ?
C7' C7 N3 64.6(6) . . ?
C8' C7 N3 121.2(8) . . ?
C12 C7 N3 114.0(7) . . ?
C8 C7 N3 104.9(7) . . ?
C11 C7 N3 107.3(7) . . ?
C7' C7 C11' 58.1(7) . . ?
C8' C7 C11' 113.3(9) . . ?
C12 C7 C11' 136.9(7) . . ?
C8 C7 C11' 92.2(7) . . ?
C11 C7 C11' 27.2(5) . . ?
N3 C7 C11' 92.7(6) . . ?
C8 C8' C7 104.1(19) . . ?
C8 C8' C7' 57.6(14) . . ?
C7 C8' C7' 46.7(7) . . ?
C8 C8' C9 73.5(15) . . ?
C7 C8' C9 134.2(9) . . ?
C7' C8' C9 110.0(8) . . ?
C8 C8' C12 161.6(19) . . ?
C7 C8' C12 58.1(8) . . ?
C7' C8' C12 104.2(8) . . ?
C9 C8' C12 114.8(8) . . ?
C8' C8 C7' 92.8(16) . . ?
C8' C8 C7 46.9(13) . . ?
C7' C8 C7 46.1(6) . . ?
C8' C8 C9 78.5(15) . . ?
C7' C8 C9 127.5(9) . . ?
C7 C8 C9 110.4(8) . . ?
C8' C8 C12' 144.7(18) . . ?
C7' C8 C12' 53.4(7) . . ?
C7 C8 C12' 99.2(8) . . ?
C9 C8 C12' 112.3(8) . . ?
C11 C11' C7' 97.3(12) . . ?
C11 C11' C7 59.3(10) . . ?
C7' C11' C7 38.0(5) . . ?
C7 C12 C8' 39.7(5) . . ?
C11' C11 C7 93.6(12) . . ?
C11' C11 C7' 56.2(10) . . ?
C7 C11 C7' 37.3(5) . . ?
C7' C12' C8 43.4(6) . . ?
N2 O4 Ni2 108.2(2) . 5_556 ?
N2 O4 Ni2 108.2(2) . 2_556 ?
Ni2 O4 Ni2 81.71(14) 5_556 2_556 ?
C4 N1 C4 27.7(6) 6 . ?
C4 N1 Ni1 119.2(4) 6 . ?
C4 N1 Ni1 119.2(4) . . ?
C2 N2 C2 37.1(7) 6 . ?
C2 N2 O4 115.4(5) 6 . ?
C2 N2 O4 115.4(5) . . ?
C2 N2 Ni1 127.4(4) 6 . ?
C2 N2 Ni1 127.4(4) . . ?
O4 N2 Ni1 113.2(3) . . ?
C3 C6 C4 49.1(5) 6 . ?
C4 C5 C4 26.9(6) 6 . ?
C4 C4 C3 98.5(5) 6 6 ?
C4 C4 N1 76.1(3) 6 . ?
C3 C4 N1 125.8(7) 6 . ?
C4 C4 C6 163.3(5) 6 . ?
C3 C4 C6 65.0(7) 6 . ?
N1 C4 C6 110.8(6) . . ?
C4 C4 C3 54.0(4) 6 . ?
C3 C4 C3 44.5(7) 6 . ?
N1 C4 C3 108.0(6) . . ?
C6 C4 C3 109.5(7) . . ?
C4 C4 C5 76.6(3) 6 . ?
C3 C4 C5 123.8(8) 6 . ?
N1 C4 C5 107.5(6) . . ?
C6 C4 C5 113.9(6) . . ?
C3 C4 C5 106.9(6) . . ?
C3 C3 C4 81.5(5) 6 6 ?
C3 C3 C6 147.3(5) 6 6 ?
C4 C3 C6 65.8(6) 6 6 ?
C3 C3 C2 84.8(4) 6 . ?
C4 C3 C2 129.7(8) 6 . ?
C6 C3 C2 113.7(8) 6 . ?
C3 C3 C4 54.0(4) 6 . ?
C4 C3 C4 27.6(6) 6 . ?
C6 C3 C4 93.4(7) 6 . ?
C2 C3 C4 118.7(7) . . ?
C3 C3 C2 57.7(4) 6 6 ?
C4 C3 C2 118.3(7) 6 6 ?
C6 C3 C2 136.5(7) 6 6 ?
C2 C3 C2 27.1(5) . 6 ?
C4 C3 C2 97.9(6) . 6 ?
C2 C2 N2 71.5(3) 6 . ?
C2 C2 C3 95.2(4) 6 . ?
N2 C2 C3 121.4(6) . . ?
C2 C2 C1 101.9(5) 6 . ?
N2 C2 C1 122.4(7) . . ?
C3 C2 C1 116.2(7) . . ?
C2 C2 C3 57.7(4) 6 6 ?
N2 C2 C3 104.3(5) . 6 ?
C3 C2 C3 37.5(6) . 6 ?
C1 C2 C3 120.0(7) . 6 ?
C2 C2 C1 52.9(4) 6 6 ?
N2 C2 C1 101.0(6) . 6 ?
C3 C2 C1 115.4(6) . 6 ?
C1 C2 C1 49.0(8) . 6 ?
C3 C2 C1 89.7(5) 6 6 ?
C1 C1 C2 78.1(5) 6 . ?
C1 C1 C2 52.9(4) 6 6 ?
C2 C1 C2 25.2(5) . 6 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N2 2.014(4) . ?
Ni1 O1 2.030(4) . ?
Ni1 N1 2.070(5) . ?
Ni1 O3 2.1267(14) . ?
Ni1 O2 2.142(3) 5_556 ?
Ni1 O2 2.142(3) 2_556 ?
Ni1 Ni2 2.7928(16) 6 ?
Ni1 Ni2 2.7928(16) . ?
Ni2 N4 2.034(3) . ?
Ni2 O1 2.042(3) . ?
Ni2 N3 2.072(3) . ?
Ni2 O3 2.1152(10) . ?
Ni2 O4 2.115(3) 5_556 ?
Ni2 O2 2.146(3) 2_556 ?
Ni2 Ni2 2.767(2) 6 ?
O3 Ni2 2.1152(10) 6 ?
O3 Ni2 2.1152(10) 5_556 ?
O3 Ni2 2.1152(10) 2_556 ?
O3 Ni1 2.1267(14) 5_556 ?
O1 Ni2 2.042(3) 6 ?
O1 H1 0.8507 . ?
N4 C9 1.251(6) . ?
N4 O2 1.394(4) . ?
N3 C7' 1.504(9) . ?
N3 C7 1.596(9) . ?
O2 Ni1 2.142(3) 5_556 ?
O2 Ni2 2.146(3) 2_556 ?
C9 C8 1.551(13) . ?
C9 C10 1.594(11) . ?
C9 C8' 1.586(12) . ?
C9 C10' 1.629(11) . ?
C10' C10 1.344(16) . ?
C7' C7 1.118(12) . ?
C7' C8 1.293(15) . ?
C7' C12' 1.512(13) . ?
C7' C8' 1.531(15) . ?
C7' C11' 1.540(12) . ?
C7' C11 1.838(13) . ?
C7 C8' 1.141(14) . ?
C7 C12 1.516(13) . ?
C7 C8 1.516(14) . ?
C7 C11 1.554(12) . ?
C7 C11' 1.804(13) . ?
C8' C8 0.759(12) . ?
C8' C12 1.770(17) . ?
C8 C12' 1.871(18) . ?
C11' C11 0.825(12) . ?
O4 N2 1.395(6) . ?
O4 Ni2 2.115(3) 5_556 ?
O4 Ni2 2.115(3) 2_556 ?
N1 C4 1.511(9) 6 ?
N1 C4 1.511(9) . ?
N2 C2 1.290(9) 6 ?
N2 C2 1.290(9) . ?
C6 C3 1.516(13) 6 ?
C6 C4 1.526(12) . ?
C5 C4 1.557(10) 6 ?
C5 C4 1.557(10) . ?
C4 C4 0.723(15) 6 ?
C4 C3 1.265(11) 6 ?
C4 C3 1.547(11) . ?
C3 C3 1.096(17) 6 ?
C3 C4 1.265(11) 6 ?
C3 C6 1.516(13) 6 ?
C3 C2 1.519(12) . ?
C3 C2 1.791(12) 6 ?
C2 C2 0.820(15) 6 ?
C2 C1 1.532(11) . ?
C2 C3 1.791(12) 6 ?
C2 C1 1.881(11) 6 ?
C1 C1 1.45(2) 6 ?
C1 C2 1.881(11) 6 ?
O6 O8 1.716(12) . ?
