#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:12:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179831 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/27/7012719.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_7012719
loop_
_publ_author_name
'Pavlishchuk, Vitaly V.'
'Kolotilov, Sergey V.'
'Addison, Anthony W.'
'Prushan, Michael J.'
'Schollmeyer, Dieter'
'Thompson, Laurence K.'
'Weyhermüller, Thomas'
'Goreshnik, Eugeny A.'
_publ_section_title
;
 Structural, magnetic and related attributes of some oximate-bridged
 tetranuclear nickel(ii) rhombs and a dinuclear congenerElectronic
 supplementary information (ESI) available: mass spectra, \cT vs. T,
 response of magnetic properties, low-lying spin levels and UV-VIS
 data. See http://www.rsc.org/suppdata/dt/b3/b300539a/
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1587
_journal_paper_doi               10.1039/b300539a
_journal_year                    2003
_chemical_formula_analytical     '[C24 H52 N10 Ni4 O10]2+, 2 (ClO4)-,H2O'
_chemical_formula_sum            'C24 H54 Cl2 N10 Ni4 O19'
_chemical_formula_weight         1092.51
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 92.53(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6517(3)
_cell_length_b                   17.5058(6)
_cell_length_c                   22.5440(10)
_cell_measurement_reflns_used    16390
_cell_measurement_temperature    446(2)
_cell_volume                     4199.6(3)
_computing_cell_refinement       'Nonius Collect Software'
_computing_data_collection       'Nonius Collect Software'
_computing_data_reduction        'Nonius Collect Software'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      446(2)
_diffrn_measurement_device       Nonius-Kappa-CCD-Detector
_diffrn_measurement_method       '\-scan,258 images a 0.5 deg./60 sec'
_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  0.0787
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            34327
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.977
_exptl_absorpt_correction_type   'DELrefABS, Platon99 Prog. Suite'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_description       'opaque block'
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.104
_refine_diff_density_min         -1.126
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.028
_refine_ls_goodness_of_fit_obs   1.061
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         12063
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.123
_refine_ls_restrained_S_obs      1.061
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_obs          0.0393
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0491P)²+4.2253P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1158
_refine_ls_wR_factor_obs         0.0994
_reflns_number_observed          10068
_reflns_number_total             12100
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b300539a.txt
_cod_data_source_block           3625
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0491P)^2^+4.2253P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0491P)^2^+4.2253P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7012719
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ni1 Ni -0.16406(3) 0.31608(2) 0.267167(12) 0.01125(7) Uani 1 d . .
Ni2 Ni 0.05061(2) 0.19324(2) 0.328490(12) 0.01108(7) Uani 1 d . .
Ni3 Ni 0.26314(3) 0.23210(2) 0.440495(12) 0.01246(7) Uani 1 d . .
Ni4 Ni 0.05104(2) 0.35594(2) 0.377642(12) 0.01150(7) Uani 1 d . .
O1 O -0.22431(14) 0.22272(9) 0.31520(7) 0.0144(3) Uani 1 d . .
O2 O 0.04544(14) 0.08526(9) 0.36838(7) 0.0154(3) Uani 1 d . .
O3 O 0.05494(14) 0.14549(9) 0.24307(7) 0.0151(3) Uani 1 d . .
O4 O 0.32314(14) 0.19136(9) 0.35907(7) 0.0151(3) Uani 1 d . .
O5 O 0.32031(15) 0.33592(9) 0.41012(7) 0.0166(3) Uani 1 d . .
O6 O 0.04019(15) 0.39232(9) 0.46782(7) 0.0178(3) Uani 1 d . .
O7 O 0.06386(15) 0.45896(9) 0.32869(7) 0.0156(3) Uani 1 d . .
O8 O -0.21212(14) 0.37997(9) 0.33929(7) 0.0159(3) Uani 1 d . .
O9 O 0.01731(14) 0.30024(8) 0.29877(7) 0.0114(3) Uani 1 d D .
H9 H 0.0649(30) 0.3135(18) 0.2767(14) 0.027(9) Uiso 1 d D .
O10 O 0.08325(14) 0.24796(9) 0.40771(7) 0.0124(3) Uani 1 d D .
H10 H 0.0348(32) 0.2333(21) 0.4287(15) 0.041(11) Uiso 1 d D .
N1 N -0.1176(2) 0.41696(11) 0.22205(9) 0.0163(4) Uani 1 d . .
H1A H -0.0859(2) 0.45149(11) 0.24821(9) 0.020 Uiso 1 calc R .
H1B H -0.0586(2) 0.40672(11) 0.19582(9) 0.020 Uiso 1 calc R .
N2 N -0.3447(2) 0.34056(11) 0.23136(8) 0.0142(3) Uani 1 d . .
H2 H -0.4028(2) 0.32790(11) 0.25808(8) 0.017 Uiso 1 calc R .
N3 N -0.1599(2) 0.24245(11) 0.19380(9) 0.0161(4) Uani 1 d . .
H3A H -0.1260(2) 0.26592(11) 0.16280(9) 0.019 Uiso 1 calc R .
H3B H -0.1148(2) 0.20023(11) 0.20288(9) 0.019 Uiso 1 calc R .
N4 N -0.1365(2) 0.17589(10) 0.33498(8) 0.0123(3) Uani 1 d . .
N5 N 0.2368(2) 0.17814(10) 0.31794(8) 0.0128(3) Uani 1 d . .
N6 N 0.2272(2) 0.12014(11) 0.46839(9) 0.0174(4) Uani 1 d . .
H6A H 0.1608(2) 0.11989(11) 0.49177(9) 0.021 Uiso 1 calc R .
H6B H 0.2087(2) 0.09039(11) 0.43664(9) 0.021 Uiso 1 calc R .
N7 N 0.4435(2) 0.20932(12) 0.47606(8) 0.0166(4) Uani 1 d . .
H7 H 0.5008(2) 0.22893(12) 0.45146(8) 0.020 Uiso 1 calc R .
N8 N 0.2440(2) 0.28618(12) 0.52355(9) 0.0186(4) Uani 1 d . .
H8A H 0.1907(2) 0.32598(12) 0.52027(9) 0.022 Uiso 1 calc R .
H8B H 0.2160(2) 0.25316(12) 0.55054(9) 0.022 Uiso 1 calc R .
N9 N 0.2376(2) 0.37466(10) 0.37892(8) 0.0131(3) Uani 1 d . .
N10 N -0.1332(2) 0.37820(10) 0.38471(8) 0.0138(3) Uani 1 d . .
C1 C -0.2305(2) 0.44882(13) 0.19049(10) 0.0170(4) Uani 1 d . .
H1A' H -0.2347(2) 0.43101(13) 0.14971(10) 0.020 Uiso 1 calc R .
H1B' H -0.2255(2) 0.50415(13) 0.19007(10) 0.020 Uiso 1 calc R .
C2 C -0.3474(2) 0.42409(13) 0.22117(11) 0.0171(4) Uani 1 d . .
H2A H -0.3517(2) 0.45049(13) 0.25886(11) 0.021 Uiso 1 calc R .
H2B H -0.4214(2) 0.43749(13) 0.19680(11) 0.021 Uiso 1 calc R .
C3 C -0.3681(2) 0.29614(13) 0.17620(10) 0.0168(4) Uani 1 d . .
H3A' H -0.3439(2) 0.32594(13) 0.14228(10) 0.020 Uiso 1 calc R .
H3B' H -0.4569(2) 0.28429(13) 0.17112(10) 0.020 Uiso 1 calc R .
C4 C -0.2924(2) 0.22293(13) 0.17991(11) 0.0177(4) Uani 1 d . .
H4A H -0.3237(2) 0.19013(13) 0.21063(11) 0.021 Uiso 1 calc R .
H4B H -0.3001(2) 0.19584(13) 0.14239(11) 0.021 Uiso 1 calc R .
C5 C -0.1693(2) 0.11439(12) 0.36337(9) 0.0133(4) Uani 1 d . .
C6 C -0.0620(2) 0.06699(12) 0.38219(9) 0.0139(4) Uani 1 d . .
C7 C -0.0818(2) -0.00318(13) 0.41744(11) 0.0196(4) Uani 1 d . .
H7A H -0.0023(2) -0.02758(13) 0.42612(11) 0.029 Uiso 1 calc R .
H7B H -0.1360(2) -0.03746(13) 0.39512(11) 0.029 Uiso 1 calc R .
H7C H -0.1197(2) 0.01008(13) 0.45389(11) 0.029 Uiso 1 calc R .
C8 C -0.3009(2) 0.09547(14) 0.37605(11) 0.0192(4) Uani 1 d . .
H8A' H -0.3558(2) 0.13430(14) 0.35966(11) 0.029 Uiso 1 calc R .
H8B' H -0.3093(2) 0.09280(14) 0.41822(11) 0.029 Uiso 1 calc R .
H8C H -0.3228(2) 0.04705(14) 0.35850(11) 0.029 Uiso 1 calc R .
C9 C 0.1634(2) 0.13144(12) 0.22782(10) 0.0143(4) Uani 1 d . .
C10 C 0.2706(2) 0.14983(12) 0.26734(10) 0.0135(4) Uani 1 d . .
C11 C 0.4039(2) 0.13534(14) 0.25406(11) 0.0202(5) Uani 1 d . .
H11A H 0.4575(2) 0.15230(14) 0.28681(11) 0.030 Uiso 1 calc R .
H11B H 0.4242(2) 0.16273(14) 0.21886(11) 0.030 Uiso 1 calc R .
H11C H 0.4162(2) 0.08164(14) 0.24794(11) 0.030 Uiso 1 calc R .
C12 C 0.1811(2) 0.09267(14) 0.16962(11) 0.0212(5) Uani 1 d . .
H12A H 0.1008(2) 0.08502(14) 0.14949(11) 0.032 Uiso 1 calc R .
H12B H 0.2212(2) 0.04415(14) 0.17644(11) 0.032 Uiso 1 calc R .
H12C H 0.2327(2) 0.12396(14) 0.14560(11) 0.032 Uiso 1 calc R .
C13 C 0.3387(2) 0.08994(14) 0.50149(11) 0.0217(5) Uani 1 d . .
H13A H 0.3419(2) 0.03481(14) 0.49747(11) 0.026 Uiso 1 calc R .
H13B H 0.3343(2) 0.10219(14) 0.54331(11) 0.026 Uiso 1 calc R .
C14 C 0.4553(2) 0.12533(15) 0.47696(11) 0.0217(5) Uani 1 d . .
H14A H 0.5286(2) 0.11074(15) 0.50144(11) 0.026 Uiso 1 calc R .
H14B H 0.4664(2) 0.10667(15) 0.43701(11) 0.026 Uiso 1 calc R .
C15 C 0.4615(2) 0.2450(2) 0.53486(11) 0.0222(5) Uani 1 d . .
H15A H 0.5477(2) 0.2623(2) 0.54050(11) 0.027 Uiso 1 calc R .
H15B H 0.4455(2) 0.2078(2) 0.56548(11) 0.027 Uiso 1 calc R .
C16 C 0.3729(2) 0.31215(15) 0.54013(11) 0.0229(5) Uani 1 d . .
H16A H 0.3766(2) 0.33128(15) 0.58055(11) 0.028 Uiso 1 calc R .
H16B H 0.3972(2) 0.35307(15) 0.51397(11) 0.028 Uiso 1 calc R .
C17 C 0.2766(2) 0.43343(12) 0.34864(10) 0.0151(4) Uani 1 d . .
C18 C 0.1745(2) 0.47382(12) 0.31801(10) 0.0148(4) Uani 1 d . .
C19 C 0.2028(2) 0.53273(13) 0.27283(12) 0.0226(5) Uani 1 d . .
H19A H 0.1256(2) 0.55410(13) 0.25668(12) 0.034 Uiso 1 calc R .
H19B H 0.2479(2) 0.50961(13) 0.24154(12) 0.034 Uiso 1 calc R .
H19C H 0.2531(2) 0.57244(13) 0.29113(12) 0.034 Uiso 1 calc R .
C20 C 0.4119(2) 0.45401(14) 0.34599(13) 0.0240(5) Uani 1 d . .
H20A H 0.4616(2) 0.41896(14) 0.36987(13) 0.036 Uiso 1 calc R .
H20B H 0.4246(2) 0.50498(14) 0.36076(13) 0.036 Uiso 1 calc R .
H20C H 0.4367(2) 0.45137(14) 0.30561(13) 0.036 Uiso 1 calc R .
C21 C -0.0705(2) 0.40297(13) 0.48155(10) 0.0178(4) Uani 1 d . .
C22 C -0.1713(2) 0.40088(13) 0.43648(10) 0.0175(4) Uani 1 d . .
C23 C -0.3044(2) 0.4220(2) 0.44581(12) 0.0301(6) Uani 1 d . .
H23A H -0.3532(2) 0.4159(2) 0.40927(12) 0.045 Uiso 1 calc R .
H23B H -0.3084(2) 0.4742(2) 0.45853(12) 0.045 Uiso 1 calc R .
H23C H -0.3376(2) 0.3895(2) 0.47563(12) 0.045 Uiso 1 calc R .
C24 C -0.0988(3) 0.4188(2) 0.54485(11) 0.0266(5) Uani 1 d . .
H24A H -0.0221(3) 0.4181(2) 0.56886(11) 0.040 Uiso 1 calc R .
H24B H -0.1547(3) 0.3803(2) 0.55866(11) 0.040 Uiso 1 calc R .
H24C H -0.1378(3) 0.4680(2) 0.54761(11) 0.040 Uiso 1 calc R .
Cl1 Cl 0.28154(5) 0.34051(3) 0.18910(2) 0.01620(10) Uani 1 d . .
O11 O 0.1585(2) 0.36572(11) 0.20454(8) 0.0260(4) Uani 1 d . .
O12 O 0.3387(2) 0.39963(11) 0.15549(9) 0.0284(4) Uani 1 d . .
O13 O 0.2716(2) 0.27219(11) 0.15408(9) 0.0313(4) Uani 1 d . .
O14 O 0.3558(2) 0.32516(11) 0.24225(8) 0.0257(4) Uani 1 d . .
Cl2 Cl -0.14039(6) 0.16998(4) 0.53529(3) 0.02443(13) Uani 1 d . .
O20 O -0.0530(2) 0.15780(11) 0.48942(9) 0.0282(4) Uani 1 d . .
O21 O -0.0702(2) 0.1707(2) 0.59158(10) 0.0479(6) Uani 1 d . .
O22 O -0.2251(2) 0.10661(14) 0.53628(10) 0.0393(5) Uani 1 d . .
O23 O -0.2074(3) 0.23871(15) 0.5269(2) 0.0602(8) Uani 1 d . .
O30 O 0.5569(2) 0.27573(12) 0.36457(11) 0.0349(5) Uani 1 d D .
H30A H 0.6243(32) 0.2546(22) 0.3528(17) 0.047(11) Uiso 1 d D .
H30B H 0.4919(36) 0.2493(26) 0.3535(22) 0.076(15) Uiso 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'
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
_geom_angle_publ_flag
O9 Ni1 O8 93.58(6) . . ?
O9 Ni1 O1 91.18(6) . . ?
O8 Ni1 O1 85.54(6) . . ?
O9 Ni1 N2 175.24(7) . . ?
O8 Ni1 N2 86.39(7) . . ?
O1 Ni1 N2 93.56(7) . . ?
O9 Ni1 N3 97.97(7) . . ?
O8 Ni1 N3 166.30(7) . . ?
O1 Ni1 N3 86.87(7) . . ?
N2 Ni1 N3 82.71(7) . . ?
O9 Ni1 N1 92.50(7) . . ?
O8 Ni1 N1 89.87(7) . . ?
O1 Ni1 N1 174.30(7) . . ?
N2 Ni1 N1 82.75(7) . . ?
N3 Ni1 N1 96.93(8) . . ?
O9 Ni2 N5 103.95(7) . . ?
O9 Ni2 N4 90.23(7) . . ?
N5 Ni2 N4 163.68(7) . . ?
O9 Ni2 O10 82.85(6) . . ?
N5 Ni2 O10 91.95(7) . . ?
N4 Ni2 O10 97.88(7) . . ?
O9 Ni2 O2 166.82(6) . . ?
N5 Ni2 O2 88.69(7) . . ?
N4 Ni2 O2 77.84(7) . . ?
O10 Ni2 O2 93.12(6) . . ?
O9 Ni2 O3 94.34(6) . . ?
N5 Ni2 O3 77.25(7) . . ?
N4 Ni2 O3 93.89(7) . . ?
O10 Ni2 O3 167.90(6) . . ?
O2 Ni2 O3 92.09(6) . . ?
O10 Ni3 O5 92.67(6) . . ?
O10 Ni3 N7 176.42(7) . . ?
O5 Ni3 N7 90.91(7) . . ?
O10 Ni3 O4 92.68(6) . . ?
O5 Ni3 O4 84.39(6) . . ?
N7 Ni3 O4 87.73(7) . . ?
O10 Ni3 N6 93.13(7) . . ?
O5 Ni3 N6 172.55(7) . . ?
N7 Ni3 N6 83.31(8) . . ?
O4 Ni3 N6 90.66(7) . . ?
O10 Ni3 N8 97.71(7) . . ?
O5 Ni3 N8 86.58(7) . . ?
N7 Ni3 N8 82.44(8) . . ?
O4 Ni3 N8 166.53(7) . . ?
N6 Ni3 N8 97.28(8) . . ?
N9 Ni4 N10 158.77(7) . . ?
N9 Ni4 O10 89.69(7) . . ?
N10 Ni4 O10 107.72(7) . . ?
N9 Ni4 O9 103.03(7) . . ?
N10 Ni4 O9 91.53(7) . . ?
O10 Ni4 O9 82.36(6) . . ?
N9 Ni4 O7 77.46(7) . . ?
N10 Ni4 O7 87.82(7) . . ?
O10 Ni4 O7 161.86(6) . . ?
O9 Ni4 O7 88.05(6) . . ?
N9 Ni4 O6 91.87(7) . . ?
N10 Ni4 O6 76.90(7) . . ?
O10 Ni4 O6 88.59(6) . . ?
O9 Ni4 O6 162.46(6) . . ?
O7 Ni4 O6 104.40(6) . . ?
N4 O1 Ni1 116.00(12) . . ?
C6 O2 Ni2 112.47(14) . . ?
C9 O3 Ni2 112.96(14) . . ?
N5 O4 Ni3 116.94(13) . . ?
N9 O5 Ni3 116.23(13) . . ?
C21 O6 Ni4 111.85(14) . . ?
C18 O7 Ni4 111.25(14) . . ?
N10 O8 Ni1 115.85(13) . . ?
Ni2 O9 Ni4 97.61(7) . . ?
Ni2 O9 Ni1 113.01(7) . . ?
Ni4 O9 Ni1 111.38(7) . . ?
Ni4 O10 Ni3 112.90(7) . . ?
Ni4 O10 Ni2 97.17(7) . . ?
Ni3 O10 Ni2 111.93(7) . . ?
C1 N1 Ni1 110.19(14) . . ?
C3 N2 C2 112.8(2) . . ?
C3 N2 Ni1 109.52(13) . . ?
C2 N2 Ni1 105.81(13) . . ?
C4 N3 Ni1 104.88(14) . . ?
O1 N4 C5 118.8(2) . . ?
O1 N4 Ni2 124.89(13) . . ?
C5 N4 Ni2 116.28(15) . . ?
O4 N5 C10 118.5(2) . . ?
O4 N5 Ni2 124.02(14) . . ?
C10 N5 Ni2 117.37(15) . . ?
C13 N6 Ni3 109.45(14) . . ?
C15 N7 C14 113.8(2) . . ?
C15 N7 Ni3 110.28(14) . . ?
C14 N7 Ni3 105.82(14) . . ?
C16 N8 Ni3 103.70(14) . . ?
O5 N9 C17 118.0(2) . . ?
O5 N9 Ni4 124.77(14) . . ?
C17 N9 Ni4 117.10(15) . . ?
O8 N10 C22 118.7(2) . . ?
O8 N10 Ni4 122.85(14) . . ?
C22 N10 Ni4 118.0(2) . . ?
N1 C1 C2 109.9(2) . . ?
N2 C2 C1 110.1(2) . . ?
N2 C3 C4 109.2(2) . . ?
N3 C4 C3 108.6(2) . . ?
N4 C5 C6 112.8(2) . . ?
N4 C5 C8 123.6(2) . . ?
C6 C5 C8 123.5(2) . . ?
O2 C6 C5 119.9(2) . . ?
O2 C6 C7 120.1(2) . . ?
C5 C6 C7 119.9(2) . . ?
O3 C9 C10 120.0(2) . . ?
O3 C9 C12 119.1(2) . . ?
C10 C9 C12 120.8(2) . . ?
N5 C10 C9 112.3(2) . . ?
N5 C10 C11 122.8(2) . . ?
C9 C10 C11 124.8(2) . . ?
N6 C13 C14 108.9(2) . . ?
N7 C14 C13 110.0(2) . . ?
N7 C15 C16 110.1(2) . . ?
N8 C16 C15 108.4(2) . . ?
N9 C17 C18 112.5(2) . . ?
N9 C17 C20 122.7(2) . . ?
C18 C17 C20 124.8(2) . . ?
O7 C18 C17 120.4(2) . . ?
O7 C18 C19 120.0(2) . . ?
C17 C18 C19 119.6(2) . . ?
O6 C21 C22 120.2(2) . . ?
O6 C21 C24 119.8(2) . . ?
C22 C21 C24 120.0(2) . . ?
N10 C22 C21 112.6(2) . . ?
N10 C22 C23 122.3(2) . . ?
C21 C22 C23 125.2(2) . . ?
O14 Cl1 O12 110.26(12) . . ?
O14 Cl1 O13 109.20(12) . . ?
O12 Cl1 O13 109.49(12) . . ?
O14 Cl1 O11 109.28(11) . . ?
O12 Cl1 O11 108.56(11) . . ?
O13 Cl1 O11 110.04(13) . . ?
O23 Cl2 O22 110.4(2) . . ?
O23 Cl2 O20 111.8(2) . . ?
O22 Cl2 O20 108.96(13) . . ?
O23 Cl2 O21 110.5(2) . . ?
O22 Cl2 O21 107.2(2) . . ?
O20 Cl2 O21 107.86(14) . . ?
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 O9 2.048(2) . ?
Ni1 O8 2.057(2) . ?
Ni1 O1 2.078(2) . ?
Ni1 N2 2.098(2) . ?
Ni1 N3 2.099(2) . ?
Ni1 N1 2.108(2) . ?
Ni2 O9 2.015(2) . ?
Ni2 N5 2.026(2) . ?
Ni2 N4 2.028(2) . ?
Ni2 O10 2.043(2) . ?
Ni2 O2 2.095(2) . ?
Ni2 O3 2.102(2) . ?
Ni3 O10 2.042(2) . ?
Ni3 O5 2.044(2) . ?
Ni3 N7 2.087(2) . ?
Ni3 O4 2.095(2) . ?
Ni3 N6 2.099(2) . ?
Ni3 N8 2.116(2) . ?
Ni4 N9 2.013(2) . ?
Ni4 N10 2.014(2) . ?
Ni4 O10 2.032(2) . ?
Ni4 O9 2.046(2) . ?
Ni4 O7 2.122(2) . ?
Ni4 O6 2.138(2) . ?
O1 N4 1.307(2) . ?
O2 C6 1.241(3) . ?
O3 C9 1.244(3) . ?
O4 N5 1.297(2) . ?
O5 N9 1.295(2) . ?
O6 C21 1.247(3) . ?
O7 C18 1.241(3) . ?
O8 N10 1.296(2) . ?
N1 C1 1.479(3) . ?
N2 C3 1.478(3) . ?
N2 C2 1.480(3) . ?
N3 C4 1.473(3) . ?
N4 C5 1.308(3) . ?
N5 C10 1.309(3) . ?
N6 C13 1.473(3) . ?
N7 C15 1.470(3) . ?
N7 C14 1.476(3) . ?
N8 C16 1.479(3) . ?
N9 C17 1.313(3) . ?
N10 C22 1.314(3) . ?
C1 C2 1.513(3) . ?
C3 C4 1.514(3) . ?
C5 C6 1.460(3) . ?
C5 C8 1.481(3) . ?
C6 C7 1.483(3) . ?
C9 C10 1.453(3) . ?
C9 C12 1.497(3) . ?
C10 C11 1.487(3) . ?
C13 C14 1.514(3) . ?
C15 C16 1.515(4) . ?
C17 C18 1.447(3) . ?
C17 C20 1.489(3) . ?
C18 C19 1.490(3) . ?
C21 C22 1.445(3) . ?
C21 C24 1.497(3) . ?
C22 C23 1.490(3) . ?
Cl1 O14 1.431(2) . ?
Cl1 O12 1.434(2) . ?
Cl1 O13 1.434(2) . ?
Cl1 O11 1.440(2) . ?
Cl2 O23 1.407(2) . ?
Cl2 O22 1.431(2) . ?
Cl2 O20 1.437(2) . ?
Cl2 O21 1.444(2) . ?
