#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:31:49 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179635 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/99/4509912.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_4509912
loop_
_publ_author_name
'Fernández de Luis, Roberto'
'Orive, Joseba'
'Larrea, Edurne S.'
'Urtiaga, M. Karmele'
'Arriortua, María I.'
_publ_section_title
;
 Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved
 by Synchrotron Radiation: Color and Magnetic Properties Change
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              658
_journal_paper_doi               10.1021/cg401540s
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C24 H28 N4 Ni2 O19 V6'
_chemical_formula_weight         1099.53
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2013-12-02T11:54:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 132.445(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.6177(10)
_cell_length_b                   9.3725(3)
_cell_length_c                   26.6897(17)
_cell_measurement_reflns_used    13050
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6239
_cell_measurement_theta_min      2.9941
_cell_volume                     3621.3(6)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3504
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0085649
_diffrn_orient_matrix_UB_12      -0.0184212
_diffrn_orient_matrix_UB_13      -0.0211066
_diffrn_orient_matrix_UB_21      0.0325254
_diffrn_orient_matrix_UB_22      -0.0519758
_diffrn_orient_matrix_UB_23      0.0240191
_diffrn_orient_matrix_UB_31      -0.0356298
_diffrn_orient_matrix_UB_32      -0.0518316
_diffrn_orient_matrix_UB_33      -0.0165722
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            45894
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.69
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    2.577
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
        (compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_density_diffrn    2.009
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.2346
_exptl_crystal_size_mid          0.1478
_exptl_crystal_size_min          0.1374
_refine_diff_density_max         6.244
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         8448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0925
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1478P)²+28.0930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2315
_reflns_number_gt                7852
_reflns_number_total             8448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401540s_si_002.cif
_cod_data_source_block           ni1506_2_p2c_abs
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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 
;
_cod_original_cell_volume        3621.3(3)
_cod_original_sg_symbol_H-M      'P 2/c '
_cod_database_code               4509912
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
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
N1 N 0.1607(4) 0.5180(6) 0.4862(3) 0.0245(15) Uani 1 1 d G
C1 C 0.1893(5) 0.3901(6) 0.4791(3) 0.042(3) Uani 1 1 d G
H1 H 0.2176 0.3211 0.5129 0.051 Uiso 1 1 calc R
C2 C 0.1756(6) 0.3655(6) 0.4215(3) 0.044(3) Uani 1 1 d G
H2 H 0.1948 0.2799 0.4167 0.053 Uiso 1 1 calc R
C3 C 0.1333(5) 0.4687(7) 0.3710(3) 0.029(2) Uani 1 1 d G
C4 C 0.1047(5) 0.5966(6) 0.3781(3) 0.032(2) Uani 1 1 d G
H4 H 0.0763 0.6657 0.3443 0.039 Uiso 1 1 calc R
C5 C 0.1184(5) 0.6213(6) 0.4357(3) 0.038(2) Uani 1 1 d G
H5 H 0.0992 0.7068 0.4404 0.046 Uiso 1 1 calc R
C6 C 0.1205(7) 0.4415(11) 0.3089(5) 0.030(2) Uani 1 1 d .
H6A H 0.0948 0.5267 0.281 0.036 Uiso 1 1 calc R
H6B H 0.0757 0.3654 0.2825 0.036 Uiso 1 1 calc R
C7 C 0.2090(7) 0.4007(11) 0.3243(5) 0.030(2) Uani 1 1 d .
H7A H 0.259 0.4612 0.3607 0.036 Uiso 1 1 calc R
H7B H 0.2249 0.303 0.3405 0.036 Uiso 1 1 calc R
N2 N 0.1912(4) 0.4352(6) 0.1551(2) 0.0254(16) Uani 1 1 d G
C8 C 0.1115(3) 0.4446(8) 0.1445(2) 0.035(2) Uani 1 1 d G
H8 H 0.0545 0.4581 0.1008 0.042 Uiso 1 1 calc R
C9 C 0.1171(3) 0.4338(8) 0.1991(3) 0.035(2) Uani 1 1 d G
H9 H 0.0638 0.4401 0.192 0.042 Uiso 1 1 calc R
C10 C 0.2023(4) 0.4137(7) 0.2643(3) 0.0271(18) Uani 1 1 d G
C11 C 0.2819(3) 0.4043(8) 0.2749(2) 0.033(2) Uani 1 1 d G
H11 H 0.3389 0.3908 0.3185 0.04 Uiso 1 1 calc R
C12 C 0.2764(3) 0.4151(7) 0.2203(3) 0.031(2) Uani 1 1 d G
H12 H 0.3296 0.4088 0.2274 0.038 Uiso 1 1 calc R
N3 N 0.3382(5) -0.0770(6) 0.3232(3) 0.0252(15) Uani 1 1 d G
C13 C 0.3542(6) 0.0479(5) 0.3044(4) 0.046(3) Uani 1 1 d G
H13 H 0.3542 0.1353 0.321 0.055 Uiso 1 1 calc R
C14 C 0.3700(6) 0.0422(6) 0.2610(4) 0.043(3) Uani 1 1 d G
H14 H 0.3807 0.1258 0.2484 0.051 Uiso 1 1 calc R
C15 C 0.3699(6) -0.0885(7) 0.2363(4) 0.032(2) Uani 1 1 d G
C16 C 0.3540(8) -0.2134(6) 0.2551(5) 0.077(6) Uani 1 1 d G
H16 H 0.3539 -0.3009 0.2386 0.092 Uiso 1 1 calc R
C17 C 0.3381(7) -0.2077(5) 0.2985(5) 0.058(4) Uani 1 1 d G
H17 H 0.3274 -0.2913 0.3111 0.07 Uiso 1 1 calc R
C18 C 0.3854(8) -0.0893(13) 0.1866(5) 0.036(2) Uani 1 1 d .
H18A H 0.4174 -0.0028 0.1926 0.043 Uiso 1 1 calc R
H18B H 0.4238 -0.17 0.1966 0.043 Uiso 1 1 calc R
C19 C 0.2936(7) -0.0987(11) 0.1134(5) 0.032(2) Uani 1 1 d .
H19A H 0.2488 -0.0385 0.1079 0.038 Uiso 1 1 calc R
H19B H 0.2713 -0.1961 0.1037 0.038 Uiso 1 1 calc R
N4 N 0.3086(4) 0.0264(7) -0.0352(3) 0.0277(17) Uani 1 1 d G
C20 C 0.2243(3) 0.0245(8) -0.0520(2) 0.041(3) Uani 1 1 d G
H20 H 0.1705 0.0495 -0.0956 0.049 Uiso 1 1 calc R
C21 C 0.2205(4) -0.0149(9) -0.0037(3) 0.038(2) Uani 1 1 d G
H21 H 0.1641 -0.0162 -0.015 0.045 Uiso 1 1 calc R
C22 C 0.3009(5) -0.0523(8) 0.0614(3) 0.029(2) Uani 1 1 d G
C23 C 0.3852(4) -0.0503(8) 0.0782(2) 0.037(2) Uani 1 1 d G
H23 H 0.439 -0.0754 0.1218 0.044 Uiso 1 1 calc R
C24 C 0.3890(3) -0.0110(8) 0.0299(3) 0.036(2) Uani 1 1 d G
H24 H 0.4454 -0.0097 0.0412 0.043 Uiso 1 1 calc R
Ni1 Ni 0.17949(8) 0.45211(12) 0.07194(6) 0.0220(3) Uani 1 1 d .
Ni2 Ni 0.32043(8) 0.05722(12) -0.10765(6) 0.0218(3) Uani 1 1 d .
O1 O 0.2603(5) 0.2571(7) -0.1325(4) 0.0323(15) Uani 1 1 d .
O2 O 0.4457(5) 0.1734(11) -0.0355(4) 0.041(2) Uani 1 1 d .
O3 O 0.6193(5) 0.1404(7) 0.0791(3) 0.0260(13) Uani 1 1 d .
O5 O 0.5183(5) 0.3711(8) 0.0660(3) 0.0319(15) Uani 1 1 d .
O6 O 0.4232(7) 0.6373(9) 0.0098(5) 0.047(2) Uani 1 1 d .
O7 O 0.3342(5) 0.3929(9) -0.0085(4) 0.0403(18) Uani 1 1 d .
O8 O 0.4493(5) 0.5085(9) 0.1186(4) 0.0338(17) Uani 1 1 d .
O9 O 0.4092(5) 0.2876(8) 0.1663(4) 0.0391(18) Uani 1 1 d .
O10 O 0.5 0.5262(12) 0.25 0.032(2) Uani 1 2 d S
O11 O 0.3132(5) 0.5225(7) 0.1294(3) 0.0249(13) Uani 1 1 d .
O12 O 0.2235(5) 0.2433(7) 0.0851(4) 0.0328(15) Uani 1 1 d .
O13 O 0.1311(4) 0.6526(7) 0.0595(3) 0.0275(14) Uani 1 1 d .
O14 O 0.0493(5) 0.3579(8) 0.0130(3) 0.0298(14) Uani 1 1 d .
O15 O -0.0445(7) 0.1369(8) -0.0787(4) 0.045(2) Uani 1 1 d .
O16 O -0.0219(6) 0.1460(8) 0.0422(4) 0.0368(16) Uani 1 1 d .
O17 O 0.1612(7) 0.0872(10) 0.1383(5) 0.051(2) Uani 1 1 d .
O18 O 0.0566(7) 0.0377(9) 0.1718(4) 0.044(2) Uani 1 1 d .
O19 O 0.1913(5) 0.0322(7) 0.3179(4) 0.0296(15) Uani 1 1 d .
O20 O 0.0849(6) -0.1920(8) 0.2516(4) 0.044(2) Uani 1 1 d .
O21 O 0 0.0499(11) 0.25 0.034(2) Uani 1 2 d S
V1 V 0.53840(11) 0.25375(15) 0.02329(8) 0.0212(3) Uani 1 1 d .
V2 V 0.42867(10) 0.48016(16) 0.04559(7) 0.0191(3) Uani 1 1 d .
V3 V 0.41588(12) 0.46003(17) 0.16568(8) 0.0241(3) Uani 1 1 d .
V4 V -0.03747(11) 0.25161(15) -0.02145(7) 0.0217(3) Uani 1 1 d .
V5 V 0.06377(12) 0.03457(16) 0.11064(8) 0.0232(3) Uani 1 1 d .
V6 V 0.08562(11) -0.01750(19) 0.24971(8) 0.0237(3) Uani 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-15 -7 33 0.0582
-15 -9 1 0.1177
-18 5 -2 0.0905
20 0 -37 0.0818
10 -12 -3 0.0456
-23 7 25 0.0779
14 -10 0 0.053
-20 0 -1 0.102
24 0 -35 0.0603
-19 3 37 0.0848
13 3 -36 0.0663
-18 -9 7 0.1055
-10 11 -3 0.0823
-3 11 -13 0.1041
-10 7 -12 0.0962
16 9 -2 0.0812
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
C1 N1 C5 120 . .
C1 N1 Ni1 118.6(3) . 4_566
C5 N1 Ni1 121.4(3) . 4_566
N1 C1 C2 120 . .
C3 C2 C1 120 . .
C4 C3 C2 120 . .
C4 C3 C6 120.6(6) . .
C2 C3 C6 119.4(6) . .
C5 C4 C3 120 . .
C4 C5 N1 120 . .
C3 C6 C7 115.1(8) . .
C10 C7 C6 114.8(8) . .
C8 N2 C12 120 . .
C8 N2 Ni1 118.6(3) . .
C12 N2 Ni1 121.4(3) . .
N2 C8 C9 120 . .
C10 C9 C8 120 . .
C11 C10 C9 120 . .
C11 C10 C7 119.6(5) . .
C9 C10 C7 120.4(5) . .
C12 C11 C10 120 . .
C11 C12 N2 120 . .
C13 N3 C17 120 . .
C13 N3 Ni2 116.9(3) . 4_556
C17 N3 Ni2 123.0(3) . 4_556
N3 C13 C14 120 . .
C15 C14 C13 120 . .
C16 C15 C14 120 . .
C16 C15 C18 121.8(6) . .
C14 C15 C18 118.2(6) . .
C15 C16 C17 120 . .
C16 C17 N3 120 . .
C19 C18 C15 110.8(9) . .
C18 C19 C22 112.9(8) . .
C20 N4 C24 120 . .
C20 N4 Ni2 123.1(3) . .
C24 N4 Ni2 116.4(3) . .
C21 C20 N4 120 . .
C20 C21 C22 120 . .
C21 C22 C23 120 . .
C21 C22 C19 118.5(6) . .
C23 C22 C19 121.5(6) . .
C24 C23 C22 120 . .
C23 C24 N4 120 . .
O13 Ni1 O11 92.6(3) . .
O13 Ni1 O12 176.7(3) . .
O11 Ni1 O12 90.0(3) . .
O13 Ni1 N1 88.8(3) . 4_565
O11 Ni1 N1 88.1(3) . 4_565
O12 Ni1 N1 93.3(3) . 4_565
O13 Ni1 N2 87.0(3) . .
O11 Ni1 N2 93.5(3) . .
O12 Ni1 N2 90.8(3) . .
N1 Ni1 N2 175.5(2) 4_565 .
O13 Ni1 O14 94.0(3) . .
O11 Ni1 O14 173.3(3) . .
O12 Ni1 O14 83.5(3) . .
N1 Ni1 O14 90.6(2) 4_565 .
N2 Ni1 O14 88.2(3) . .
O3 Ni2 O1 177.3(3) 3_655 .
O3 Ni2 O19 90.9(3) 3_655 4
O1 Ni2 O19 89.7(3) . 4
O3 Ni2 N3 90.6(3) 3_655 4
O1 Ni2 N3 92.0(3) . 4
O19 Ni2 N3 90.7(3) 4 4
O3 Ni2 N4 85.9(3) 3_655 .
O1 Ni2 N4 91.5(3) . .
O19 Ni2 N4 90.3(3) 4 .
N3 Ni2 N4 176.4(3) 4 .
O3 Ni2 O2 95.8(3) 3_655 .
O1 Ni2 O2 83.5(3) . .
O19 Ni2 O2 173.2(3) 4 .
N3 Ni2 O2 88.6(3) 4 .
N4 Ni2 O2 90.8(3) . .
V1 O2 Ni2 174.5(5) . .
V1 O3 Ni2 152.6(4) . 3_655
V2 O5 V1 138.6(4) . .
V2 O6 V1 149.5(6) . 3_665
V2 O8 V3 145.3(5) . .
V3 O10 V3 139.2(7) . 2_655
V3 O11 Ni1 139.7(4) . .
V4 O13 Ni1 144.3(4) 3_565 .
V4 O14 Ni1 166.2(5) . .
V5 O15 V4 146.9(5) 3 .
V5 O16 V4 137.5(5) . .
V5 O18 V6 155.6(6) . .
V6 O19 Ni2 139.2(4) . 4_556
V6 O21 V6 138.9(6) 2 .
O2 V1 O3 110.8(4) . .
O2 V1 O5 108.7(4) . .
O3 V1 O5 108.1(3) . .
O2 V1 O6 111.4(4) . 3_665
O3 V1 O6 110.0(4) . 3_665
O5 V1 O6 107.7(4) . 3_665
O7 V2 O6 109.6(5) . .
O7 V2 O8 110.1(4) . .
O6 V2 O8 112.0(4) . .
O7 V2 O5 106.7(4) . .
O6 V2 O5 110.0(4) . .
O8 V2 O5 108.3(4) . .
O9 V3 O11 106.6(4) . .
O9 V3 O10 110.3(5) . .
O11 V3 O10 110.0(3) . .
O9 V3 O8 108.9(4) . .
O11 V3 O8 111.9(4) . .
O10 V3 O8 109.1(3) . .
O14 V4 O13 108.9(4) . 3_565
O14 V4 O15 107.4(4) . .
O13 V4 O15 112.9(4) 3_565 .
O14 V4 O16 110.9(4) . .
O13 V4 O16 106.9(4) 3_565 .
O15 V4 O16 109.9(4) . .
O17 V5 O18 113.2(5) . .
O17 V5 O15 108.0(5) . 3
O18 V5 O15 110.5(4) . 3
O17 V5 O16 107.7(4) . .
O18 V5 O16 109.8(4) . .
O15 V5 O16 107.4(4) 3 .
O20 V6 O19 106.1(4) . .
O20 V6 O21 108.8(5) . .
O19 V6 O21 112.2(3) . .
O20 V6 O18 108.5(4) . .
O19 V6 O18 111.7(4) . .
O21 V6 O18 109.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.39 .
N1 C5 1.39 .
N1 Ni1 2.077(4) 4_566
C1 C2 1.39 .
C2 C3 1.39 .
C3 C4 1.39 .
C3 C6 1.519(11) .
C4 C5 1.39 .
C6 C7 1.539(14) .
C7 C10 1.521(10) .
N2 C8 1.39 .
N2 C12 1.39 .
N2 Ni1 2.077(4) .
C8 C9 1.39 .
C9 C10 1.39 .
C10 C11 1.39 .
C11 C12 1.39 .
N3 C13 1.39 .
N3 C17 1.39 .
N3 Ni2 2.105(5) 4_556
C13 C14 1.39 .
C14 C15 1.39 .
C15 C16 1.39 .
C15 C18 1.547(11) .
C16 C17 1.39 .
C18 C19 1.523(14) .
C19 C22 1.550(11) .
N4 C20 1.39 .
N4 C24 1.39 .
N4 Ni2 2.118(4) .
C20 C21 1.39 .
C21 C22 1.39 .
C22 C23 1.39 .
C23 C24 1.39 .
Ni1 O13 2.029(6) .
Ni1 O11 2.059(7) .
Ni1 O12 2.071(7) .
Ni1 N1 2.077(4) 4_565
Ni1 O14 2.087(7) .
Ni2 O3 2.048(6) 3_655
Ni2 O1 2.070(6) .
Ni2 O19 2.068(7) 4
Ni2 N3 2.105(5) 4
Ni2 O2 2.132(9) .
O2 V1 1.577(9) .
O3 V1 1.636(6) .
O3 Ni2 2.048(6) 3_655
O5 V2 1.772(7) .
O5 V1 1.809(7) .
O6 V2 1.718(8) .
O6 V1 1.815(8) 3_665
O7 V2 1.605(7) .
O8 V2 1.723(7) .
O8 V3 1.823(7) .
O9 V3 1.622(7) .
O10 V3 1.778(4) .
O10 V3 1.778(4) 2_655
O11 V3 1.645(7) .
O13 V4 1.641(6) 3_565
O14 V4 1.619(7) .
O15 V5 1.737(7) 3
O15 V4 1.795(7) .
O16 V5 1.763(7) .
O16 V4 1.806(7) .
O17 V5 1.594(9) .
O18 V5 1.729(8) .
O18 V6 1.822(8) .
O19 V6 1.653(7) .
O19 Ni2 2.068(7) 4_556
O20 V6 1.637(7) .
O21 V6 1.799(4) 2
O21 V6 1.799(4) .
V1 O6 1.815(8) 3_665
V4 O13 1.641(6) 3_565
V5 O15 1.737(7) 3
