#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:27:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179750 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/46/7004612.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_7004612
loop_
_publ_author_name
'Banerjee, Atanu'
'Singh, Reena'
'Chopra, Deepak'
'Colacio, Enrique'
'Rajak, Kajal Krishna'
_publ_section_title
;
 Mixed bridged dinuclear Ni(II) complexes: synthesis, structure,
 magnetic properties and DFT study
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              6539
_journal_page_last               6545
_journal_paper_doi               10.1039/b809197h
_journal_year                    2008
_chemical_formula_sum            'C35 H53 Cl N4 Ni2 O5'
_chemical_formula_weight         762.64
_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                91.738(13)
_cell_angle_beta                 97.871(13)
_cell_angle_gamma                114.220(12)
_cell_formula_units_Z            2
_cell_length_a                   10.539(8)
_cell_length_b                   11.245(9)
_cell_length_c                   16.988(13)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.00
_cell_volume                     1810(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0653
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17111
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.160
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (SADABAS,SHELDRICK-1997)
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallopiped
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.854
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         6351
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.0824
_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)+(0.0771P)²+6.3089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2049
_refine_ls_wR_factor_ref         0.2164
_reflns_number_gt                4561
_reflns_number_total             6351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809197h.txt
_cod_data_source_block           '[Ni2(L)(Cl)(H2O)].C4H10O'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_sg_symbol_H-M      p-1
_cod_database_code               7004612
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
C1 C 0.7955(7) 0.6355(6) 0.1781(4) 0.0385(15) Uani 1 1 d . . .
C2 C 0.9171(7) 0.6195(6) 0.1641(4) 0.0399(16) Uani 1 1 d . . .
C3 C 0.9016(9) 0.5217(7) 0.1065(4) 0.0494(18) Uani 1 1 d . . .
H3 H 0.9816 0.5116 0.0969 0.059 Uiso 1 1 calc R . .
C4 C 0.7726(9) 0.4391(7) 0.0630(4) 0.0518(19) Uani 1 1 d . . .
C5 C 0.6540(9) 0.4549(7) 0.0775(4) 0.053(2) Uani 1 1 d . . .
H5 H 0.5660 0.3993 0.0493 0.063 Uiso 1 1 calc R . .
C6 C 0.6644(8) 0.5526(6) 0.1337(4) 0.0411(16) Uani 1 1 d . . .
C7 C 1.0583(8) 0.7065(6) 0.2078(4) 0.0463(17) Uani 1 1 d . . .
H7A H 1.1277 0.6853 0.1860 0.056 Uiso 1 1 calc R . .
H7B H 1.0626 0.6871 0.2631 0.056 Uiso 1 1 calc R . .
C8 C 1.0765(8) 0.8799(7) 0.1208(4) 0.0483(18) Uani 1 1 d . . .
H8A H 1.1409 0.8608 0.0925 0.058 Uiso 1 1 calc R . .
H8B H 0.9814 0.8208 0.0964 0.058 Uiso 1 1 calc R . .
C9 C 1.0957(8) 1.0176(7) 0.1092(4) 0.0462(17) Uani 1 1 d . . .
C10 C 1.0129(8) 1.0691(7) 0.1435(4) 0.0489(18) Uani 1 1 d . . .
C11 C 1.0239(10) 1.1927(7) 0.1233(4) 0.064(2) Uani 1 1 d . . .
H11 H 0.9683 1.2281 0.1440 0.077 Uiso 1 1 calc R . .
C12 C 1.1134(10) 1.2620(8) 0.0742(5) 0.069(3) Uani 1 1 d . . .
H12 H 1.1179 1.3437 0.0621 0.083 Uiso 1 1 calc R . .
C13 C 1.1968(10) 1.2140(9) 0.0422(5) 0.071(3) Uani 1 1 d . . .
H13 H 1.2592 1.2632 0.0096 0.085 Uiso 1 1 calc R . .
C14 C 1.1871(9) 1.0884(8) 0.0591(4) 0.060(2) Uani 1 1 d . . .
H14 H 1.2418 1.0536 0.0367 0.072 Uiso 1 1 calc R . .
C15 C 1.2484(8) 0.9218(7) 0.2457(5) 0.0538(19) Uani 1 1 d . . .
H15A H 1.3108 0.9316 0.2070 0.065 Uiso 1 1 calc R . .
H15B H 1.2693 0.8718 0.2870 0.065 Uiso 1 1 calc R . .
C16 C 1.2735(8) 1.0558(7) 0.2824(4) 0.057(2) Uani 1 1 d . . .
H16A H 1.3674 1.0972 0.3137 0.069 Uiso 1 1 calc R . .
H16B H 1.2671 1.1107 0.2405 0.069 Uiso 1 1 calc R . .
C17 C 0.5321(8) 0.5707(7) 0.1414(4) 0.0467(17) Uani 1 1 d . . .
H17A H 0.5414 0.6534 0.1215 0.056 Uiso 1 1 calc R . .
H17B H 0.4531 0.5016 0.1075 0.056 Uiso 1 1 calc R . .
C18 C 0.3623(8) 0.5822(7) 0.2175(4) 0.0540(19) Uani 1 1 d . . .
H18A H 0.2916 0.5090 0.1820 0.065 Uiso 1 1 calc R . .
H18B H 0.3731 0.6615 0.1925 0.065 Uiso 1 1 calc R . .
C19 C 0.3071(8) 0.5864(7) 0.2938(5) 0.0511(18) Uani 1 1 d . . .
C20 C 0.3867(9) 0.6893(8) 0.3531(5) 0.055(2) Uani 1 1 d . . .
C21 C 0.3230(11) 0.6990(9) 0.4197(5) 0.067(2) Uani 1 1 d . . .
H21 H 0.3721 0.7679 0.4593 0.080 Uiso 1 1 calc R . .
C22 C 0.1915(11) 0.6100(10) 0.4275(6) 0.072(3) Uani 1 1 d . . .
H22 H 0.1535 0.6190 0.4724 0.087 Uiso 1 1 calc R . .
C23 C 0.1125(10) 0.5050(10) 0.3691(6) 0.076(3) Uani 1 1 d . . .
H23 H 0.0229 0.4442 0.3745 0.091 Uiso 1 1 calc R . .
C24 C 0.1737(9) 0.4950(8) 0.3023(5) 0.061(2) Uani 1 1 d . . .
H24 H 0.1241 0.4258 0.2630 0.074 Uiso 1 1 calc R . .
C25 C 0.4880(8) 0.4478(6) 0.2597(4) 0.0483(18) Uani 1 1 d . . .
H25A H 0.5510 0.4165 0.2388 0.058 Uiso 1 1 calc R . .
H25B H 0.3925 0.3808 0.2451 0.058 Uiso 1 1 calc R . .
C26 C 0.5255(9) 0.4715(8) 0.3484(5) 0.061(2) Uani 1 1 d . . .
H26A H 0.5318 0.3946 0.3697 0.073 Uiso 1 1 calc R . .
H26B H 0.4516 0.4853 0.3701 0.073 Uiso 1 1 calc R . .
C27 C 1.1600(10) 1.1717(7) 0.3488(5) 0.068(2) Uani 1 1 d . . .
H27A H 1.1351 1.2001 0.2987 0.102 Uiso 1 1 calc R . .
H27B H 1.2505 1.2351 0.3750 0.102 Uiso 1 1 calc R . .
H27C H 1.0903 1.1628 0.3819 0.102 Uiso 1 1 calc R . .
C28 C 1.2040(10) 0.9974(10) 0.4119(5) 0.077(3) Uani 1 1 d . . .
H28A H 1.2062 0.9138 0.4024 0.115 Uiso 1 1 calc R . .
H28B H 1.1349 0.9895 0.4453 0.115 Uiso 1 1 calc R . .
H28C H 1.2951 1.0597 0.4380 0.115 Uiso 1 1 calc R . .
C29 C 0.6684(11) 0.6314(9) 0.4587(4) 0.076(3) Uani 1 1 d . . .
H29A H 0.5893 0.6516 0.4629 0.115 Uiso 1 1 calc R . .
H29B H 0.7544 0.7079 0.4762 0.115 Uiso 1 1 calc R . .
H29C H 0.6651 0.5625 0.4916 0.115 Uiso 1 1 calc R . .
C30 C 0.7833(10) 0.5573(9) 0.3700(5) 0.075(3) Uani 1 1 d . . .
H30A H 0.7817 0.5289 0.3159 0.113 Uiso 1 1 calc R . .
H30B H 0.7787 0.4888 0.4034 0.113 Uiso 1 1 calc R . .
H30C H 0.8689 0.6340 0.3881 0.113 Uiso 1 1 calc R . .
C31 C 0.7648(11) 0.3316(8) 0.0023(5) 0.082(3) Uani 1 1 d . . .
H31A H 0.8580 0.3378 0.0008 0.122 Uiso 1 1 calc R . .
H31B H 0.7242 0.3425 -0.0497 0.122 Uiso 1 1 calc R . .
H31C H 0.7073 0.2473 0.0177 0.122 Uiso 1 1 calc R . .
C32 C 0.712(3) 0.147(3) 0.3849(11) 0.289(14) Uiso 1 1 d D . .
H32A H 0.7901 0.1967 0.4258 0.434 Uiso 1 1 calc R . .
H32B H 0.6894 0.0554 0.3863 0.434 Uiso 1 1 calc R . .
H32C H 0.6313 0.1625 0.3937 0.434 Uiso 1 1 calc R . .
C33 C 0.748(2) 0.187(2) 0.3072(12) 0.251(12) Uiso 1 1 d D . .
H33A H 0.8243 0.1669 0.2952 0.301 Uiso 1 1 calc R . .
H33B H 0.7743 0.2804 0.3050 0.301 Uiso 1 1 calc R . .
C34 C 0.644(2) 0.169(2) 0.1823(11) 0.226(10) Uiso 1 1 d D . .
H34A H 0.7314 0.1704 0.1697 0.271 Uiso 1 1 calc R . .
H34B H 0.6562 0.2591 0.1908 0.271 Uiso 1 1 calc R . .
C35 C 0.535(2) 0.105(2) 0.1170(10) 0.250(11) Uiso 1 1 d D . .
H35A H 0.5590 0.1492 0.0703 0.375 Uiso 1 1 calc R . .
H35B H 0.4486 0.1051 0.1287 0.375 Uiso 1 1 calc R . .
H35C H 0.5233 0.0158 0.1078 0.375 Uiso 1 1 calc R . .
Cl1 Cl 0.8511(2) 0.91143(19) 0.37384(11) 0.0642(6) Uani 1 1 d . . .
N1 N 1.0999(6) 0.8508(5) 0.2060(3) 0.0416(13) Uani 1 1 d . . .
N2 N 1.1663(7) 1.0429(6) 0.3348(3) 0.0509(15) Uani 1 1 d . . .
N3 N 0.4987(6) 0.5699(5) 0.2241(3) 0.0423(14) Uani 1 1 d . . .
N4 N 0.6628(6) 0.5880(6) 0.3741(3) 0.0463(14) Uani 1 1 d . . .
Ni1 Ni 0.97490(10) 0.90047(8) 0.27081(5) 0.0425(3) Uani 1 1 d . . .
Ni2 Ni 0.65197(10) 0.73160(8) 0.29480(5) 0.0431(3) Uani 1 1 d . . .
O1 O 0.9254(6) 1.0042(5) 0.1917(3) 0.0537(13) Uani 1 1 d . . .
O2 O 0.8068(5) 0.7275(4) 0.2346(2) 0.0441(11) Uani 1 1 d . . .
O3 O 0.5149(6) 0.7739(5) 0.3466(3) 0.0612(14) Uani 1 1 d . . .
O4 O 0.6417(6) 0.8673(5) 0.2088(3) 0.0613(14) Uani 1 1 d . . .
H4A H 0.5754 0.8389 0.1648 0.074 Uiso 1 1 d R . .
H4B H 0.7037 0.9520 0.2172 0.074 Uiso 1 1 d R . .
O5 O 0.6164(12) 0.1098(12) 0.2513(8) 0.179(5) Uani 1 1 d 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'
Cl Cl 0.1484 0.1585 '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'
Ni Ni 0.3393 1.1124 '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'
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
O2 C1 C6 121.2(6) . . ?
O2 C1 C2 119.8(6) . . ?
C6 C1 C2 119.0(6) . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 C7 120.4(7) . . ?
C1 C2 C7 121.1(6) . . ?
C4 C3 C2 122.8(7) . . ?
C3 C4 C5 118.3(6) . . ?
C3 C4 C31 119.3(8) . . ?
C5 C4 C31 122.4(8) . . ?
C4 C5 C6 121.0(7) . . ?
C5 C6 C1 120.4(7) . . ?
C5 C6 C17 117.9(7) . . ?
C1 C6 C17 121.6(6) . . ?
C2 C7 N1 116.1(6) . . ?
C9 C8 N1 115.7(6) . . ?
C14 C9 C10 120.8(7) . . ?
C14 C9 C8 119.2(7) . . ?
C10 C9 C8 119.8(6) . . ?
O1 C10 C11 120.5(7) . . ?
O1 C10 C9 122.2(6) . . ?
C11 C10 C9 117.3(7) . . ?
C12 C11 C10 121.8(9) . . ?
C11 C12 C13 121.2(8) . . ?
C12 C13 C14 119.2(8) . . ?
C9 C14 C13 119.6(8) . . ?
N1 C15 C16 110.3(6) . . ?
N2 C16 C15 110.0(6) . . ?
N3 C17 C6 115.3(6) . . ?
N3 C18 C19 116.6(6) . . ?
C24 C19 C20 120.8(8) . . ?
C24 C19 C18 120.0(7) . . ?
C20 C19 C18 119.0(7) . . ?
O3 C20 C19 121.2(7) . . ?
O3 C20 C21 121.7(8) . . ?
C19 C20 C21 117.1(8) . . ?
C22 C21 C20 121.8(9) . . ?
C21 C22 C23 121.3(9) . . ?
C22 C23 C24 117.5(9) . . ?
C19 C24 C23 121.4(9) . . ?
N3 C25 C26 110.8(6) . . ?
C25 C26 N4 111.6(6) . . ?
C32 C33 O5 103.6(15) . . ?
O5 C34 C35 112.5(16) . . ?
Ni1 Cl1 Ni2 85.35(8) . . ?
C15 N1 C7 108.6(5) . . ?
C15 N1 C8 113.0(6) . . ?
C7 N1 C8 108.9(5) . . ?
C15 N1 Ni1 108.2(4) . . ?
C7 N1 Ni1 107.9(4) . . ?
C8 N1 Ni1 110.1(4) . . ?
C28 N2 C27 110.0(6) . . ?
C28 N2 C16 109.8(6) . . ?
C27 N2 C16 109.7(6) . . ?
C28 N2 Ni1 110.6(5) . . ?
C27 N2 Ni1 111.9(5) . . ?
C16 N2 Ni1 104.7(4) . . ?
C25 N3 C18 110.9(6) . . ?
C25 N3 C17 111.6(5) . . ?
C18 N3 C17 106.4(5) . . ?
C25 N3 Ni2 110.1(4) . . ?
C18 N3 Ni2 108.1(4) . . ?
C17 N3 Ni2 109.7(4) . . ?
C30 N4 C29 108.0(7) . . ?
C30 N4 C26 112.2(7) . . ?
C29 N4 C26 107.7(6) . . ?
C30 N4 Ni2 113.3(4) . . ?
C29 N4 Ni2 111.6(5) . . ?
C26 N4 Ni2 103.8(4) . . ?
O1 Ni1 O2 97.5(2) . . ?
O1 Ni1 N1 96.1(2) . . ?
O2 Ni1 N1 92.2(2) . . ?
O1 Ni1 N2 101.0(2) . . ?
O2 Ni1 N2 161.5(2) . . ?
N1 Ni1 N2 85.5(2) . . ?
O1 Ni1 Cl1 103.16(17) . . ?
O2 Ni1 Cl1 84.40(14) . . ?
N1 Ni1 Cl1 160.69(16) . . ?
N2 Ni1 Cl1 91.80(18) . . ?
O3 Ni2 O2 167.9(2) . . ?
O3 Ni2 N3 94.6(2) . . ?
O2 Ni2 N3 92.1(2) . . ?
O3 Ni2 N4 96.0(2) . . ?
O2 Ni2 N4 94.7(2) . . ?
N3 Ni2 N4 83.8(2) . . ?
O3 Ni2 O4 87.0(2) . . ?
O2 Ni2 O4 82.5(2) . . ?
N3 Ni2 O4 93.6(2) . . ?
N4 Ni2 O4 176.2(2) . . ?
O3 Ni2 Cl1 91.90(17) . . ?
O2 Ni2 Cl1 81.89(14) . . ?
N3 Ni2 Cl1 173.30(17) . . ?
N4 Ni2 Cl1 93.79(18) . . ?
O4 Ni2 Cl1 88.46(16) . . ?
C10 O1 Ni1 121.6(5) . . ?
C1 O2 Ni1 127.2(4) . . ?
C1 O2 Ni2 127.6(4) . . ?
Ni1 O2 Ni2 105.0(2) . . ?
C20 O3 Ni2 125.0(5) . . ?
C34 O5 C33 101.9(12) . . ?
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
C1 O2 1.348(7) . ?
C1 C6 1.400(9) . ?
C1 C2 1.414(10) . ?
C2 C3 1.392(9) . ?
C2 C7 1.477(10) . ?
C3 C4 1.380(11) . ?
C4 C5 1.385(11) . ?
C4 C31 1.533(9) . ?
C5 C6 1.393(9) . ?
C6 C17 1.511(10) . ?
C7 N1 1.500(8) . ?
C8 C9 1.500(9) . ?
C8 N1 1.503(8) . ?
C9 C14 1.387(10) . ?
C9 C10 1.405(10) . ?
C10 O1 1.320(8) . ?
C10 C11 1.404(10) . ?
C11 C12 1.358(12) . ?
C12 C13 1.364(13) . ?
C13 C14 1.415(12) . ?
C15 N1 1.481(9) . ?
C15 C16 1.516(10) . ?
C16 N2 1.495(10) . ?
C17 N3 1.493(8) . ?
C18 N3 1.490(9) . ?
C18 C19 1.498(11) . ?
C19 C24 1.390(11) . ?
C19 C20 1.400(11) . ?
C20 O3 1.317(9) . ?
C20 C21 1.416(11) . ?
C21 C22 1.363(13) . ?
C22 C23 1.402(13) . ?
C23 C24 1.403(12) . ?
C25 N3 1.485(8) . ?
C25 C26 1.491(10) . ?
C26 N4 1.496(10) . ?
C27 N2 1.491(10) . ?
C28 N2 1.483(10) . ?
C29 N4 1.490(9) . ?
C30 N4 1.455(10) . ?
C32 C33 1.457(17) . ?
C33 O5 1.474(15) . ?
C34 O5 1.372(15) . ?
C34 C35 1.411(16) . ?
Cl1 Ni1 2.351(2) . ?
Cl1 Ni2 2.424(2) . ?
N1 Ni1 2.055(6) . ?
N2 Ni1 2.111(6) . ?
N3 Ni2 2.070(6) . ?
N4 Ni2 2.162(6) . ?
Ni1 O1 1.960(5) . ?
Ni1 O2 2.025(5) . ?
Ni2 O3 1.993(6) . ?
Ni2 O2 2.056(5) . ?
Ni2 O4 2.168(5) . ?
