#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:56:22 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180019 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/13/7031393.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_7031393
loop_
_publ_author_name
'Bhattacharya, Sagarika'
'Sasmal, Sujit'
'Carrella, Luca'
'Rentschler, Eva'
'Mohanta, Sasankasekhar'
_publ_section_title
;
 Syntheses, crystal structures and magnetic properties of a series of
 μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12065
_journal_page_last               12076
_journal_paper_doi               10.1039/c4dt00862f
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C58 H60 Cl4 N6 Ni3 O14'
_chemical_formula_weight         1383.05
_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                107.023(5)
_cell_angle_beta                 103.618(6)
_cell_angle_gamma                104.109(5)
_cell_formula_units_Z            1
_cell_length_a                   11.2050(18)
_cell_length_b                   12.005(2)
_cell_length_c                   13.346(2)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.18
_cell_measurement_theta_min      2.77
_cell_volume                     1571.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18341
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.8229
_exptl_absorpt_correction_T_min  0.7897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick 2008)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.806
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         5675
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0482
_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)+(0.1000P)²+1.2058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1503
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                4626
_reflns_number_total             5675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00862f2.cif
_cod_data_source_block           986872
_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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031386--7031393.cif.
;
_cod_original_cell_volume        1571.0(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7031393
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 1.1166(4) 0.7959(3) 0.5273(3) 0.0488(8) Uani 1 1 d .
C2 C 1.2062(4) 0.8266(4) 0.4738(4) 0.0576(10) Uani 1 1 d .
H2 H 1.2081 0.8915 0.4489 0.069 Uiso 1 1 calc R
C3 C 1.2918(5) 0.7632(4) 0.4571(4) 0.0724(12) Uani 1 1 d .
H3 H 1.3508 0.7862 0.4221 0.087 Uiso 1 1 calc R
C4 C 1.2897(5) 0.6655(5) 0.4923(5) 0.0812(14) Uani 1 1 d .
H4 H 1.3469 0.6223 0.4805 0.097 Uiso 1 1 calc R
C5 C 1.2047(5) 0.6330(5) 0.5438(5) 0.0796(14) Uani 1 1 d .
H5 H 1.2040 0.5668 0.5667 0.096 Uiso 1 1 calc R
C6 C 1.1162(4) 0.6963(4) 0.5641(4) 0.0581(10) Uani 1 1 d .
C7 C 1.0319(5) 0.6554(4) 0.6223(4) 0.0669(11) Uani 1 1 d .
H7 H 1.0348 0.5845 0.6364 0.080 Uiso 1 1 calc R
C8 C 0.8810(6) 0.6565(5) 0.7194(5) 0.0844(16) Uani 1 1 d .
H8A H 0.9198 0.6040 0.7491 0.101 Uiso 1 1 calc R
H8B H 0.7917 0.6080 0.6724 0.101 Uiso 1 1 calc R
C9 C 0.8845(6) 0.7658(5) 0.8123(4) 0.0773(14) Uani 1 1 d .
H9A H 0.8332 0.7371 0.8547 0.093 Uiso 1 1 calc R
H9B H 0.9737 0.8100 0.8617 0.093 Uiso 1 1 calc R
C10 C 0.6870(5) 0.7974(5) 0.7187(4) 0.0733(13) Uani 1 1 d .
H10A H 0.6636 0.7259 0.6513 0.088 Uiso 1 1 calc R
H10B H 0.6508 0.7698 0.7699 0.088 Uiso 1 1 calc R
C11 C 0.6302(5) 0.8886(7) 0.6921(5) 0.0945(17) Uani 1 1 d .
H11A H 0.6643 0.9142 0.6390 0.113 Uiso 1 1 calc R
H11B H 0.5364 0.8501 0.6583 0.113 Uiso 1 1 calc R
C12 C 0.7962(6) 1.0520(5) 0.8328(5) 0.0870(15) Uani 1 1 d .
H12A H 0.8181 1.1263 0.8972 0.104 Uiso 1 1 calc R
H12B H 0.8273 1.0762 0.7777 0.104 Uiso 1 1 calc R
C13 C 0.8634(5) 0.9674(4) 0.8657(4) 0.0682(11) Uani 1 1 d .
H13A H 0.9570 1.0098 0.8951 0.082 Uiso 1 1 calc R
H13B H 0.8361 0.9470 0.9238 0.082 Uiso 1 1 calc R
C14 C 0.6058(3) 0.7488(3) 0.3510(3) 0.0462(8) Uani 1 1 d .
C15 C 0.5291(4) 0.6269(4) 0.3216(4) 0.0579(10) Uani 1 1 d .
C16 C 0.4097(4) 0.5757(5) 0.2374(4) 0.0782(14) Uani 1 1 d .
H16 H 0.3594 0.4938 0.2185 0.094 Uiso 1 1 calc R
C17 C 0.3658(5) 0.6438(6) 0.1824(4) 0.0864(16) Uani 1 1 d .
H17 H 0.2853 0.6083 0.1261 0.104 Uiso 1 1 calc R
C18 C 0.4381(5) 0.7643(5) 0.2084(4) 0.0802(14) Uani 1 1 d .
H18 H 0.4075 0.8108 0.1703 0.096 Uiso 1 1 calc R
C19 C 0.5582(4) 0.8161(4) 0.2928(4) 0.0606(10) Uani 1 1 d .
H19 H 0.6078 0.8979 0.3106 0.073 Uiso 1 1 calc R
C20 C 0.7378(3) 0.8136(3) 0.4394(3) 0.0452(8) Uani 1 1 d .
C21 C 1.1553(4) 1.2126(4) 0.7995(3) 0.0625(10) Uani 1 1 d .
C22 C 1.2652(4) 1.2677(4) 0.8956(3) 0.0625(11) Uani 1 1 d .
C23 C 1.3305(6) 1.3924(5) 0.9368(5) 0.0971(18) Uani 1 1 d .
H23 H 1.4010 1.4273 1.0025 0.117 Uiso 1 1 calc R
C24 C 1.2953(7) 1.4663(6) 0.8846(6) 0.115(2) Uani 1 1 d .
H24 H 1.3452 1.5494 0.9096 0.137 Uiso 1 1 calc R
C25 C 1.1843(7) 1.4153(5) 0.7941(5) 0.108(2) Uani 1 1 d .
H25 H 1.1554 1.4668 0.7616 0.129 Uiso 1 1 calc R
C26 C 1.1133(6) 1.2907(4) 0.7492(4) 0.0795(14) Uani 1 1 d .
H26 H 1.0389 1.2588 0.6868 0.095 Uiso 1 1 calc R
C27 C 1.0773(4) 1.0810(4) 0.7444(3) 0.0583(10) Uani 1 1 d .
C28 C 0.3050(10) 0.8179(11) 0.8726(8) 0.147(3) Uani 1 1 d .
C29 C 0.3757(9) 0.8883(10) 0.8283(8) 0.167(4) Uani 1 1 d .
H29A H 0.4121 0.8389 0.7820 0.250 Uiso 1 1 calc R
H29B H 0.4449 0.9572 0.8872 0.250 Uiso 1 1 calc R
H29C H 0.3198 0.9183 0.7847 0.250 Uiso 1 1 calc R
Cl1 Cl 0.57618(15) 0.53162(12) 0.38529(14) 0.0978(5) Uani 1 1 d .
Cl2 Cl 1.32444(15) 1.18483(16) 0.96826(12) 0.1036(5) Uani 1 1 d .
N1 N 0.9551(4) 0.7051(3) 0.6559(3) 0.0604(9) Uani 1 1 d .
N2 N 0.8324(3) 0.8511(3) 0.7692(3) 0.0537(8) Uani 1 1 d .
N3 N 0.2401(11) 0.7586(10) 0.9080(8) 0.185(4) Uani 1 1 d .
Ni1 Ni 0.93400(4) 0.86114(4) 0.64724(4) 0.04448(17) Uani 1 1 d .
Ni2 Ni 1.0000 1.0000 0.5000 0.04084(19) Uani 1 2 d S
O1 O 1.0349(2) 0.8564(2) 0.5404(2) 0.0487(6) Uani 1 1 d .
O2 O 0.9762(2) 1.0470(2) 0.65955(19) 0.0442(5) Uani 1 1 d .
O3 O 1.1050(3) 0.9996(3) 0.7810(3) 0.0697(8) Uani 1 1 d .
O4 O 0.7632(2) 0.7798(3) 0.5198(2) 0.0559(7) Uani 1 1 d .
O5 O 0.8108(2) 0.9013(2) 0.4262(2) 0.0493(6) Uani 1 1 d .
O6 O 0.6597(4) 0.9941(4) 0.7888(4) 0.0987(12) Uani 1 1 d .
O7A O 0.012(2) 0.3958(14) 0.008(2) 0.193(8) Uani 0.60 1 d PD
O7B O 0.0108(19) 0.434(2) 0.009(3) 0.25(3) Uani 0.40 1 d PD
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'
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'
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 C1 C2 120.6(3) . .
O1 C1 C6 121.8(3) . .
C2 C1 C6 117.6(4) . .
C3 C2 C1 121.9(4) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 120.1(4) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 119.8(4) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 122.2(4) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C1 118.5(4) . .
C5 C6 C7 117.3(4) . .
C1 C6 C7 124.2(4) . .
N1 C7 C6 127.1(4) . .
N1 C7 H7 116.5 . .
C6 C7 H7 116.5 . .
N1 C8 C9 107.1(4) . .
N1 C8 H8A 110.3 . .
C9 C8 H8A 110.3 . .
N1 C8 H8B 110.3 . .
C9 C8 H8B 110.3 . .
H8A C8 H8B 108.6 . .
N2 C9 C8 111.3(4) . .
N2 C9 H9A 109.4 . .
C8 C9 H9A 109.4 . .
N2 C9 H9B 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C11 C10 N2 111.6(4) . .
C11 C10 H10A 109.3 . .
N2 C10 H10A 109.3 . .
C11 C10 H10B 109.3 . .
N2 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
O6 C11 C10 111.4(4) . .
O6 C11 H11A 109.3 . .
C10 C11 H11A 109.3 . .
O6 C11 H11B 109.3 . .
C10 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
O6 C12 C13 111.5(4) . .
O6 C12 H12A 109.3 . .
C13 C12 H12A 109.3 . .
O6 C12 H12B 109.3 . .
C13 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
N2 C13 C12 111.4(4) . .
N2 C13 H13A 109.3 . .
C12 C13 H13A 109.3 . .
N2 C13 H13B 109.3 . .
C12 C13 H13B 109.3 . .
H13A C13 H13B 108.0 . .
C19 C14 C15 117.4(4) . .
C19 C14 C20 117.1(3) . .
C15 C14 C20 125.5(3) . .
C16 C15 C14 120.7(4) . .
C16 C15 Cl1 116.6(3) . .
C14 C15 Cl1 122.7(3) . .
C17 C16 C15 120.5(4) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 120.9(4) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C17 C18 C19 118.9(5) . .
C17 C18 H18 120.6 . .
C19 C18 H18 120.6 . .
C14 C19 C18 121.6(4) . .
C14 C19 H19 119.2 . .
C18 C19 H19 119.2 . .
O5 C20 O4 126.1(3) . .
O5 C20 C14 115.1(3) . .
O4 C20 C14 118.8(3) . .
C22 C21 C26 117.5(4) . .
C22 C21 C27 127.1(4) . .
C26 C21 C27 115.4(4) . .
C23 C22 C21 120.8(5) . .
C23 C22 Cl2 116.6(4) . .
C21 C22 Cl2 122.6(3) . .
C24 C23 C22 121.7(6) . .
C24 C23 H23 119.1 . .
C22 C23 H23 119.1 . .
C23 C24 C25 118.1(6) . .
C23 C24 H24 120.9 . .
C25 C24 H24 120.9 . .
C24 C25 C26 122.8(6) . .
C24 C25 H25 118.6 . .
C26 C25 H25 118.6 . .
C25 C26 C21 118.8(5) . .
C25 C26 H26 120.6 . .
C21 C26 H26 120.6 . .
O2 C27 O3 119.1(4) . .
O2 C27 C21 118.9(4) . .
O3 C27 C21 122.0(4) . .
O2 C27 Ni1 58.19(19) . .
O3 C27 Ni1 60.9(2) . .
C21 C27 Ni1 176.7(3) . .
N3 C28 C29 177.1(12) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C7 N1 C8 120.7(4) . .
C7 N1 Ni1 126.4(3) . .
C8 N1 Ni1 112.6(3) . .
C9 N2 C13 107.6(3) . .
C9 N2 C10 110.4(4) . .
C13 N2 C10 107.2(3) . .
C9 N2 Ni1 99.9(2) . .
C13 N2 Ni1 117.5(2) . .
C10 N2 Ni1 113.8(3) . .
N1 Ni1 O1 90.06(12) . .
N1 Ni1 O4 95.61(14) . .
O1 Ni1 O4 90.95(11) . .
N1 Ni1 O2 161.86(13) . .
O1 Ni1 O2 81.70(10) . .
O4 Ni1 O2 100.63(10) . .
N1 Ni1 O3 102.16(14) . .
O1 Ni1 O3 90.19(11) . .
O4 Ni1 O3 162.19(12) . .
O2 Ni1 O3 61.98(11) . .
N1 Ni1 N2 83.83(13) . .
O1 Ni1 N2 173.62(11) . .
O4 Ni1 N2 91.47(12) . .
O2 Ni1 N2 103.64(11) . .
O3 Ni1 N2 89.31(12) . .
N1 Ni1 C27 132.64(15) . .
O1 Ni1 C27 85.09(12) . .
O4 Ni1 C27 131.48(13) . .
O2 Ni1 C27 30.93(11) . .
O3 Ni1 C27 31.05(12) . .
N2 Ni1 C27 97.70(13) . .
O5 Ni2 O5 180.0 . 2_776
O5 Ni2 O1 89.34(10) . 2_776
O5 Ni2 O1 90.66(10) 2_776 2_776
O5 Ni2 O1 90.66(10) . .
O5 Ni2 O1 89.34(10) 2_776 .
O1 Ni2 O1 180.00(14) 2_776 .
O5 Ni2 O2 91.13(10) . .
O5 Ni2 O2 88.87(10) 2_776 .
O1 Ni2 O2 99.62(9) 2_776 .
O1 Ni2 O2 80.38(9) . .
O5 Ni2 O2 88.87(10) . 2_776
O5 Ni2 O2 91.13(10) 2_776 2_776
O1 Ni2 O2 80.38(9) 2_776 2_776
O1 Ni2 O2 99.62(9) . 2_776
O2 Ni2 O2 179.998(1) . 2_776
C1 O1 Ni1 126.9(2) . .
C1 O1 Ni2 134.9(2) . .
Ni1 O1 Ni2 96.56(10) . .
C27 O2 Ni1 90.9(2) . .
C27 O2 Ni2 117.8(2) . .
Ni1 O2 Ni2 91.06(9) . .
C27 O3 Ni1 88.1(2) . .
C20 O4 Ni1 123.4(2) . .
C20 O5 Ni2 132.4(2) . .
C12 O6 C11 108.1(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.311(4) .
C1 C2 1.401(5) .
C1 C6 1.419(5) .
C2 C3 1.380(6) .
C2 H2 0.9300 .
C3 C4 1.383(7) .
C3 H3 0.9300 .
C4 C5 1.348(7) .
C4 H4 0.9300 .
C5 C6 1.417(6) .
C5 H5 0.9300 .
C6 C7 1.442(6) .
C7 N1 1.254(6) .
C7 H7 0.9300 .
C8 N1 1.460(5) .
C8 C9 1.503(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.483(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.480(8) .
C10 N2 1.496(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O6 1.420(7) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O6 1.410(7) .
C12 C13 1.506(7) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N2 1.492(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C19 1.387(5) .
C14 C15 1.389(5) .
C14 C20 1.505(5) .
C15 C16 1.384(6) .
C15 Cl1 1.720(4) .
C16 C17 1.353(8) .
C16 H16 0.9300 .
C17 C18 1.368(8) .
C17 H17 0.9300 .
C18 C19 1.391(6) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 O5 1.251(4) .
C20 O4 1.252(4) .
C21 C22 1.400(6) .
C21 C26 1.410(7) .
C21 C27 1.464(6) .
C22 C23 1.368(7) .
C22 Cl2 1.719(5) .
C23 C24 1.353(9) .
C23 H23 0.9300 .
C24 C25 1.367(9) .
C24 H24 0.9300 .
C25 C26 1.378(7) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 O2 1.278(5) .
C27 O3 1.283(5) .
C27 Ni1 2.485(4) .
C28 N3 1.168(13) .
C28 C29 1.371(14) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
N1 Ni1 1.977(3) .
N2 Ni1 2.210(3) .
Ni1 O1 2.014(2) .
Ni1 O4 2.023(3) .
Ni1 O2 2.112(2) .
Ni1 O3 2.173(3) .
Ni2 O5 1.994(2) .
Ni2 O5 1.994(2) 2_776
Ni2 O1 2.047(2) 2_776
Ni2 O1 2.047(2) .
Ni2 O2 2.136(2) .
Ni2 O2 2.136(2) 2_776
O7B O7B 1.74(4) 2_565
