#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:28:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179972 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/66/7026611.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_7026611
loop_
_publ_author_name
'Kou, Hui-Zhong'
'An, Guang-Yu'
'Ji, Cong-Min'
'Wang, Bing-Wu'
'Cui, Ai-Li'
_publ_section_title
;
 Ferromagnetic coupling in oximato-bridged multi-decker Ni(II) clusters.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9604
_journal_page_last               9610
_journal_paper_doi               10.1039/c0dt00528b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C48 H80 Br4 N24 Ni8 O26'
_chemical_formula_weight         2198.68
_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                100.29(3)
_cell_angle_beta                 111.88(3)
_cell_angle_gamma                97.79(3)
_cell_formula_units_Z            1
_cell_length_a                   12.313(3)
_cell_length_b                   12.909(3)
_cell_length_c                   13.706(3)
_cell_measurement_reflns_used    2511
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.06
_cell_volume                     1939.8(10)
_computing_cell_refinement       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_collection       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  'XP (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0.77
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       '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  0.1561
_diffrn_reflns_av_sigmaI/netI    0.2283
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16096
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.046
_exptl_absorpt_correction_T_max  0.6878
_exptl_absorpt_correction_T_min  0.6152
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR; Higashi, 1995'
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.113
_refine_diff_density_min         -1.283
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7412
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.2844
_refine_ls_R_factor_gt           0.1136
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1200P)²+1.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.3025
_reflns_number_gt                2511
_reflns_number_total             7412
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00528b.txt
_cod_data_source_block           5
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1939.7(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026611
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
Ni1 Ni 0.81098(17) 0.45616(16) 0.39438(17) 0.0529(6) Uani 1 1 d .
Ni2 Ni 0.59770(16) 0.31162(15) 0.44151(16) 0.0493(6) Uani 1 1 d .
Ni3 Ni 0.44777(17) 0.45003(15) 0.69376(16) 0.0512(6) Uani 1 1 d .
Ni4 Ni 0.63995(16) 0.59703(15) 0.63129(16) 0.0496(6) Uani 1 1 d .
Br1 Br 0.4681(3) 1.1291(2) 0.8537(2) 0.1413(12) Uani 1 1 d .
Br2 Br 0.8984(3) 1.2122(2) 0.8598(2) 0.1356(11) Uani 1 1 d .
O1 O 0.6811(8) 0.2399(8) 0.3561(8) 0.055(3) Uani 1 1 d .
O2 O 0.5149(7) 0.4600(7) 0.5972(8) 0.045(2) Uani 1 1 d .
O3 O 0.5403(8) 0.6668(7) 0.7023(8) 0.049(3) Uani 1 1 d .
O4 O 0.7158(7) 0.4509(7) 0.4689(9) 0.050(3) Uani 1 1 d .
O1W O 0.7278(10) 0.3026(11) 0.5945(10) 0.096(4) Uani 1 1 d .
O2W O 0.7413(8) 0.5541(9) 0.7745(8) 0.065(3) Uani 1 1 d .
O3W O 0.6905(11) 1.3327(10) 0.8128(9) 0.091(4) Uani 1 1 d .
O4W O 0.7392(13) 1.0629(14) 0.9606(11) 0.128(6) Uani 1 1 d .
O5W O 1.1615(13) 1.2763(12) 1.0413(12) 0.123(5) Uani 1 1 d .
O6W O 0.7689(17) 0.9058(16) 1.0452(18) 0.200(9) Uani 1 1 d .
O7W O 0.2150(15) 1.0857(11) 0.6697(16) 0.148(7) Uani 1 1 d .
O8W O 0.8402(12) 1.1282(13) 0.4678(11) 0.110(5) Uani 1 1 d .
O9W O 1.0227(12) 1.1902(11) 0.6699(12) 0.123(6) Uani 1 1 d .
N1 N 0.8843(10) 0.4483(12) 0.2935(12) 0.062(4) Uani 1 1 d .
N2 N 0.7488(12) 0.3103(11) 0.3289(11) 0.063(4) Uani 1 1 d .
N3 N 0.7458(13) 0.1626(12) 0.1955(13) 0.084(5) Uani 1 1 d .
H3A H 0.6973 0.1185 0.2087 0.101 Uiso 1 1 calc R
H3B H 0.7709 0.1401 0.1465 0.101 Uiso 1 1 calc R
N4 N 0.4879(10) 0.1697(10) 0.4187(10) 0.048(3) Uani 1 1 d .
N5 N 0.4875(10) 0.3619(9) 0.5180(10) 0.046(3) Uani 1 1 d .
N6 N 0.4084(11) 0.3054(10) 0.6310(11) 0.062(4) Uani 1 1 d .
H6 H 0.3749 0.2572 0.6530 0.074 Uiso 1 1 calc R
N7 N 0.3884(10) 0.4522(10) 0.8007(10) 0.050(3) Uani 1 1 d .
N8 N 0.4949(10) 0.5979(9) 0.7490(10) 0.042(3) Uani 1 1 d .
N9 N 0.5109(10) 0.7420(11) 0.8874(10) 0.064(4) Uani 1 1 d .
H9A H 0.5455 0.7893 0.8651 0.077 Uiso 1 1 calc R
H9B H 0.4968 0.7616 0.9440 0.077 Uiso 1 1 calc R
N10 N 0.7751(10) 0.7339(9) 0.6750(10) 0.046(3) Uani 1 1 d .
N11 N 0.7358(10) 0.5459(10) 0.5490(10) 0.050(3) Uani 1 1 d .
N12 N 0.8695(10) 0.5964(9) 0.4737(10) 0.056(3) Uani 1 1 d .
H12 H 0.9218 0.6421 0.4663 0.067 Uiso 1 1 calc R
C1 C 0.9469(14) 0.5301(16) 0.2799(15) 0.074(5) Uani 1 1 d .
H1 H 0.9656 0.5978 0.3270 0.088 Uiso 1 1 calc R
C2 C 0.9863(16) 0.5184(15) 0.1963(14) 0.074(5) Uani 1 1 d .
H2 H 1.0288 0.5785 0.1872 0.088 Uiso 1 1 calc R
C3 C 0.9641(15) 0.4225(14) 0.1296(15) 0.070(5) Uani 1 1 d .
H3 H 0.9918 0.4156 0.0748 0.084 Uiso 1 1 calc R
C4 C 0.8994(14) 0.3322(16) 0.1419(14) 0.070(5) Uani 1 1 d .
H4 H 0.8811 0.2638 0.0962 0.084 Uiso 1 1 calc R
C5 C 0.8639(15) 0.3519(14) 0.2279(15) 0.066(5) Uani 1 1 d .
C6 C 0.7835(16) 0.2703(16) 0.2531(15) 0.071(5) Uani 1 1 d .
C7 C 0.4729(12) 0.0742(13) 0.3539(12) 0.051(4) Uani 1 1 d .
H7 H 0.5169 0.0709 0.3115 0.061 Uiso 1 1 calc R
C8 C 0.3984(14) -0.0199(12) 0.3440(14) 0.060(5) Uani 1 1 d .
H8 H 0.3942 -0.0856 0.3004 0.072 Uiso 1 1 calc R
C9 C 0.3304(15) -0.0093(13) 0.4037(14) 0.069(5) Uani 1 1 d .
H9 H 0.2753 -0.0703 0.3959 0.083 Uiso 1 1 calc R
C10 C 0.3376(13) 0.0841(12) 0.4738(13) 0.056(4) Uani 1 1 d .
H10 H 0.2919 0.0887 0.5146 0.068 Uiso 1 1 calc R
C11 C 0.4225(13) 0.1735(12) 0.4778(13) 0.051(4) Uani 1 1 d .
C12 C 0.4383(12) 0.2839(12) 0.5464(13) 0.050(4) Uani 1 1 d .
C13 C 0.3268(14) 0.3724(15) 0.8205(13) 0.063(5) Uani 1 1 d .
H13 H 0.3066 0.3033 0.7758 0.076 Uiso 1 1 calc R
C14 C 0.2923(15) 0.3889(17) 0.9043(16) 0.078(6) Uani 1 1 d .
H14 H 0.2513 0.3305 0.9171 0.093 Uiso 1 1 calc R
C15 C 0.3168(14) 0.4898(15) 0.9703(14) 0.064(5) Uani 1 1 d .
H15 H 0.2903 0.4998 1.0259 0.077 Uiso 1 1 calc R
C16 C 0.3808(13) 0.5768(13) 0.9543(13) 0.059(4) Uani 1 1 d .
H16 H 0.3989 0.6462 0.9980 0.070 Uiso 1 1 calc R
C17 C 0.4166(14) 0.5554(14) 0.8701(13) 0.059(4) Uani 1 1 d .
C18 C 0.4794(13) 0.6385(14) 0.8342(14) 0.058(4) Uani 1 1 d .
C19 C 0.7990(13) 0.8250(12) 0.7529(14) 0.060(5) Uani 1 1 d .
H19 H 0.7488 0.8301 0.7894 0.072 Uiso 1 1 calc R
C20 C 0.8920(16) 0.9088(14) 0.7802(14) 0.068(5) Uani 1 1 d .
H20 H 0.9074 0.9693 0.8357 0.082 Uiso 1 1 calc R
C21 C 0.9617(15) 0.9017(14) 0.7247(15) 0.077(6) Uani 1 1 d .
H21 H 1.0243 0.9599 0.7407 0.092 Uiso 1 1 calc R
C22 C 0.9435(13) 0.8107(13) 0.6441(15) 0.069(5) Uani 1 1 d .
H22 H 0.9917 0.8061 0.6056 0.083 Uiso 1 1 calc R
C23 C 0.8487(12) 0.7271(13) 0.6251(13) 0.053(4) Uani 1 1 d .
C24 C 0.8192(15) 0.6191(12) 0.5463(12) 0.052(4) 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 0.0000 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'
Br Br -0.2901 2.4595 '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_3
O4 Ni1 N12 84.4(5) .
O4 Ni1 N2 89.4(5) .
N12 Ni1 N2 172.8(6) .
O4 Ni1 N1 169.5(5) .
N12 Ni1 N1 102.9(6) .
N2 Ni1 N1 83.7(6) .
O1 Ni2 N4 92.1(5) .
O1 Ni2 O4 86.5(4) .
N4 Ni2 O4 176.9(4) .
O1 Ni2 N5 170.1(4) .
N4 Ni2 N5 78.5(5) .
O4 Ni2 N5 103.1(4) .
O1 Ni2 O1W 93.5(5) .
N4 Ni2 O1W 94.1(5) .
O4 Ni2 O1W 83.3(5) .
N5 Ni2 O1W 90.0(5) .
O1 Ni2 O3 92.6(4) 2_666
N4 Ni2 O3 87.2(4) 2_666
O4 Ni2 O3 95.6(4) 2_666
N5 Ni2 O3 84.2(4) 2_666
O1W Ni2 O3 173.6(4) 2_666
O2 Ni3 N6 84.4(5) .
O2 Ni3 N8 90.2(5) .
N6 Ni3 N8 174.7(6) .
O2 Ni3 N7 174.7(5) .
N6 Ni3 N7 100.5(6) .
N8 Ni3 N7 84.8(5) .
N11 Ni4 O3 171.3(4) .
N11 Ni4 O2 101.7(4) .
O3 Ni4 O2 83.6(4) .
N11 Ni4 N10 78.3(5) .
O3 Ni4 N10 96.9(4) .
O2 Ni4 N10 176.2(4) .
N11 Ni4 O2W 95.3(4) .
O3 Ni4 O2W 91.8(4) .
O2 Ni4 O2W 86.7(4) .
N10 Ni4 O2W 89.4(4) .
N11 Ni4 N5 90.2(4) 2_666
O3 Ni4 N5 83.0(4) 2_666
O2 Ni4 N5 88.5(4) 2_666
N10 Ni4 N5 95.3(4) 2_666
O2W Ni4 N5 173.4(4) 2_666
N2 O1 Ni2 113.2(9) .
N5 O2 Ni3 113.7(7) .
N5 O2 Ni4 128.2(7) .
Ni3 O2 Ni4 117.0(4) .
N8 O3 Ni4 110.6(7) .
N8 O3 Ni2 111.9(7) 2_666
Ni4 O3 Ni2 98.5(4) 2_666
N11 O4 Ni1 115.8(7) .
N11 O4 Ni2 124.0(8) .
Ni1 O4 Ni2 120.1(5) .
C1 N1 C5 117.7(16) .
C1 N1 Ni1 125.4(13) .
C5 N1 Ni1 116.7(12) .
C6 N2 O1 116.8(14) .
C6 N2 Ni1 115.5(13) .
O1 N2 Ni1 127.5(10) .
C6 N3 H3A 120.0 .
C6 N3 H3B 120.0 .
H3A N3 H3B 120.0 .
C7 N4 C11 116.4(13) .
C7 N4 Ni2 128.8(11) .
C11 N4 Ni2 114.8(10) .
C12 N5 O2 109.1(12) .
C12 N5 Ni2 112.1(10) .
O2 N5 Ni2 126.1(7) .
C12 N5 Ni4 113.8(9) 2_666
O2 N5 Ni4 100.4(7) 2_666
Ni2 N5 Ni4 93.4(5) 2_666
C12 N6 Ni3 111.4(10) .
C12 N6 H6 124.3 .
Ni3 N6 H6 124.3 .
C13 N7 C17 117.2(14) .
C13 N7 Ni3 129.9(12) .
C17 N7 Ni3 113.0(10) .
C18 N8 O3 118.0(13) .
C18 N8 Ni3 118.0(12) .
O3 N8 Ni3 124.0(9) .
C18 N9 H9A 120.0 .
C18 N9 H9B 120.0 .
H9A N9 H9B 120.0 .
C23 N10 C19 117.6(13) .
C23 N10 Ni4 115.6(10) .
C19 N10 Ni4 126.6(11) .
C24 N11 O4 108.0(12) .
C24 N11 Ni4 117.1(10) .
O4 N11 Ni4 132.8(8) .
C24 N12 Ni1 111.0(10) .
C24 N12 H12 124.5 .
Ni1 N12 H12 124.5 .
N1 C1 C2 121.4(17) .
N1 C1 H1 119.3 .
C2 C1 H1 119.3 .
C3 C2 C1 120.9(18) .
C3 C2 H2 119.6 .
C1 C2 H2 119.6 .
C2 C3 C4 119.9(18) .
C2 C3 H3 120.0 .
C4 C3 H3 120.0 .
C3 C4 C5 115.0(17) .
C3 C4 H4 122.5 .
C5 C4 H4 122.5 .
N1 C5 C4 125.0(18) .
N1 C5 C6 108.9(17) .
C4 C5 C6 125.8(17) .
N2 C6 N3 123.4(18) .
N2 C6 C5 115.1(17) .
N3 C6 C5 121.5(18) .
N4 C7 C8 125.9(14) .
N4 C7 H7 117.1 .
C8 C7 H7 117.1 .
C7 C8 C9 114.7(15) .
C7 C8 H8 122.7 .
C9 C8 H8 122.7 .
C10 C9 C8 125.1(16) .
C10 C9 H9 117.4 .
C8 C9 H9 117.4 .
C9 C10 C11 113.1(15) .
C9 C10 H10 123.5 .
C11 C10 H10 123.5 .
N4 C11 C10 124.7(15) .
N4 C11 C12 114.6(13) .
C10 C11 C12 120.6(14) .
N5 C12 N6 120.2(14) .
N5 C12 C11 113.8(15) .
N6 C12 C11 125.9(14) .
N7 C13 C14 121.7(18) .
N7 C13 H13 119.1 .
C14 C13 H13 119.1 .
C13 C14 C15 121.3(19) .
C13 C14 H14 119.4 .
C15 C14 H14 119.3 .
C14 C15 C16 120.0(18) .
C14 C15 H15 120.0 .
C16 C15 H15 120.0 .
C17 C16 C15 116.4(16) .
C17 C16 H16 121.8 .
C15 C16 H16 121.8 .
C16 C17 N7 123.3(16) .
C16 C17 C18 125.1(15) .
N7 C17 C18 111.3(14) .
N8 C18 N9 126.7(17) .
N8 C18 C17 112.5(15) .
N9 C18 C17 120.8(16) .
N10 C19 C20 123.3(16) .
N10 C19 H19 118.4 .
C20 C19 H19 118.4 .
C21 C20 C19 117.8(17) .
C21 C20 H20 121.1 .
C19 C20 H20 121.1 .
C20 C21 C22 122.4(16) .
C20 C21 H21 118.8 .
C22 C21 H21 118.8 .
C21 C22 C23 115.5(17) .
C21 C22 H22 122.3 .
C23 C22 H22 122.3 .
N10 C23 C22 123.3(15) .
N10 C23 C24 113.1(14) .
C22 C23 C24 123.6(16) .
N11 C24 N12 120.6(13) .
N11 C24 C23 114.7(15) .
N12 C24 C23 124.6(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O4 1.821(9) .
Ni1 N12 1.827(12) .
Ni1 N2 1.852(14) .
Ni1 N1 1.909(14) .
Ni2 O1 2.011(10) .
Ni2 N4 2.023(12) .
Ni2 O4 2.033(9) .
Ni2 N5 2.101(11) .
Ni2 O1W 2.147(12) .
Ni2 O3 2.163(10) 2_666
Ni3 O2 1.816(9) .
Ni3 N6 1.825(13) .
Ni3 N8 1.847(11) .
Ni3 N7 1.864(12) .
Ni4 N11 2.009(12) .
Ni4 O3 2.036(10) .
Ni4 O2 2.037(8) .
Ni4 N10 2.081(11) .
Ni4 O2W 2.114(10) .
Ni4 N5 2.269(12) 2_666
O1 N2 1.345(16) .
O2 N5 1.420(13) .
O3 N8 1.359(14) .
O3 Ni2 2.163(10) 2_666
O4 N11 1.415(15) .
N1 C1 1.30(2) .
N1 C5 1.33(2) .
N2 C6 1.31(2) .
N3 C6 1.39(2) .
N3 H3A 0.8600 .
N3 H3B 0.8600 .
N4 C7 1.330(17) .
N4 C11 1.338(18) .
N5 C12 1.297(17) .
N5 Ni4 2.269(12) 2_666
N6 C12 1.337(19) .
N6 H6 0.8600 .
N7 C13 1.322(18) .
N7 C17 1.406(19) .
N8 C18 1.284(19) .
N9 C18 1.329(19) .
N9 H9A 0.8600 .
N9 H9B 0.8600 .
N10 C23 1.327(18) .
N10 C19 1.354(18) .
N11 C24 1.314(18) .
N12 C24 1.365(18) .
N12 H12 0.8600 .
C1 C2 1.39(2) .
C1 H1 0.9300 .
C2 C3 1.33(2) .
C2 H2 0.9300 .
C3 C4 1.39(2) .
C3 H3 0.9300 .
C4 C5 1.40(2) .
C4 H4 0.9300 .
C5 C6 1.52(2) .
C7 C8 1.37(2) .
C7 H7 0.9300 .
C8 C9 1.37(2) .
C8 H8 0.9300 .
C9 C10 1.37(2) .
C9 H9 0.9300 .
C10 C11 1.426(19) .
C10 H10 0.9300 .
C11 C12 1.50(2) .
C13 C14 1.36(2) .
C13 H13 0.9300 .
C14 C15 1.37(2) .
C14 H14 0.9300 .
C15 C16 1.38(2) .
C15 H15 0.9300 .
C16 C17 1.38(2) .
C16 H16 0.9300 .
C17 C18 1.50(2) .
C19 C20 1.35(2) .
C19 H19 0.9300 .
C20 C21 1.34(2) .
C20 H20 0.9300 .
C21 C22 1.39(2) .
C21 H21 0.9300 .
C22 C23 1.39(2) .
C22 H22 0.9300 .
C23 C24 1.51(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N4 Ni2 O1 N2 166.1(9) . .
O4 Ni2 O1 N2 -16.7(9) . .
N5 Ni2 O1 N2 150(2) . .
O1W Ni2 O1 N2 -99.7(9) . .
O3 Ni2 O1 N2 78.8(9) 2_666 .
N6 Ni3 O2 N5 9.1(8) . .
N8 Ni3 O2 N5 -171.1(8) . .
N7 Ni3 O2 N5 166(5) . .
N6 Ni3 O2 Ni4 -160.3(6) . .
N8 Ni3 O2 Ni4 19.4(6) . .
N7 Ni3 O2 Ni4 -3(5) . .
N11 Ni4 O2 N5 -12.0(10) . .
O3 Ni4 O2 N5 161.0(10) . .
N10 Ni4 O2 N5 -101(7) . .
O2W Ni4 O2 N5 -106.8(9) . .
N5 Ni4 O2 N5 77.9(10) 2_666 .
N11 Ni4 O2 Ni3 155.6(5) . .
O3 Ni4 O2 Ni3 -31.4(5) . .
N10 Ni4 O2 Ni3 67(7) . .
O2W Ni4 O2 Ni3 60.9(5) . .
N5 Ni4 O2 Ni3 -114.5(6) 2_666 .
N11 Ni4 O3 N8 163(3) . .
O2 Ni4 O3 N8 35.2(8) . .
N10 Ni4 O3 N8 -141.0(8) . .
O2W Ni4 O3 N8 -51.3(8) . .
N5 Ni4 O3 N8 124.5(8) 2_666 .
N11 Ni4 O3 Ni2 46(3) . 2_666
O2 Ni4 O3 Ni2 -82.1(4) . 2_666
N10 Ni4 O3 Ni2 101.7(4) . 2_666
O2W Ni4 O3 Ni2 -168.6(4) . 2_666
N5 Ni4 O3 Ni2 7.2(4) 2_666 2_666
N12 Ni1 O4 N11 -3.4(9) . .
N2 Ni1 O4 N11 172.8(9) . .
N1 Ni1 O4 N11 -138(3) . .
N12 Ni1 O4 Ni2 -179.7(6) . .
N2 Ni1 O4 Ni2 -3.4(7) . .
N1 Ni1 O4 Ni2 46(3) . .
O1 Ni2 O4 N11 -165.2(9) . .
N4 Ni2 O4 N11 -102(9) . .
N5 Ni2 O4 N11 17.2(10) . .
O1W Ni2 O4 N11 -71.2(9) . .
O3 Ni2 O4 N11 102.5(9) 2_666 .
O1 Ni2 O4 Ni1 10.7(6) . .
N4 Ni2 O4 Ni1 74(9) . .
N5 Ni2 O4 Ni1 -166.9(5) . .
O1W Ni2 O4 Ni1 104.7(6) . .
O3 Ni2 O4 Ni1 -81.6(6) 2_666 .
O4 Ni1 N1 C1 125(3) . .
N12 Ni1 N1 C1 -8.0(15) . .
N2 Ni1 N1 C1 175.0(15) . .
O4 Ni1 N1 C5 -51(3) . .
N12 Ni1 N1 C5 175.9(11) . .
N2 Ni1 N1 C5 -1.2(12) . .
Ni2 O1 N2 C6 -164.7(12) . .
Ni2 O1 N2 Ni1 21.3(15) . .
O4 Ni1 N2 C6 174.3(13) . .
N12 Ni1 N2 C6 -154(4) . .
N1 Ni1 N2 C6 2.4(13) . .
O4 Ni1 N2 O1 -11.6(13) . .
N12 Ni1 N2 O1 20(5) . .
N1 Ni1 N2 O1 176.4(13) . .
O1 Ni2 N4 C7 -9.4(12) . .
O4 Ni2 N4 C7 -72(9) . .
N5 Ni2 N4 C7 167.7(13) . .
O1W Ni2 N4 C7 -103.1(12) . .
O3 Ni2 N4 C7 83.1(12) 2_666 .
O1 Ni2 N4 C11 170.1(10) . .
O4 Ni2 N4 C11 107(9) . .
N5 Ni2 N4 C11 -12.7(10) . .
O1W Ni2 N4 C11 76.4(11) . .
O3 Ni2 N4 C11 -97.3(10) 2_666 .
Ni3 O2 N5 C12 -11.4(12) . .
Ni4 O2 N5 C12 156.6(9) . .
Ni3 O2 N5 Ni2 -149.5(6) . .
Ni4 O2 N5 Ni2 18.5(14) . .
Ni3 O2 N5 Ni4 108.4(6) . 2_666
Ni4 O2 N5 Ni4 -83.6(8) . 2_666
O1 Ni2 N5 C12 39(3) . .
N4 Ni2 N5 C12 22.2(10) . .
O4 Ni2 N5 C12 -155.0(10) . .
O1W Ni2 N5 C12 -72.0(11) . .
O3 Ni2 N5 C12 110.5(11) 2_666 .
O1 Ni2 N5 O2 176(2) . .
N4 Ni2 N5 O2 159.3(10) . .
O4 Ni2 N5 O2 -18.0(10) . .
O1W Ni2 N5 O2 65.1(10) . .
O3 Ni2 N5 O2 -112.4(10) 2_666 .
O1 Ni2 N5 Ni4 -78(3) . 2_666
N4 Ni2 N5 Ni4 -95.3(5) . 2_666
O4 Ni2 N5 Ni4 87.5(4) . 2_666
O1W Ni2 N5 Ni4 170.6(5) . 2_666
O3 Ni2 N5 Ni4 -6.9(4) 2_666 2_666
O2 Ni3 N6 C12 -4.9(11) . .
N8 Ni3 N6 C12 -8(7) . .
N7 Ni3 N6 C12 177.2(10) . .
O2 Ni3 N7 C13 -162(5) . .
N6 Ni3 N7 C13 -4.6(15) . .
N8 Ni3 N7 C13 175.9(14) . .
O2 Ni3 N7 C17 18(6) . .
N6 Ni3 N7 C17 174.5(10) . .
N8 Ni3 N7 C17 -5.0(10) . .
Ni4 O3 N8 C18 148.7(10) . .
Ni2 O3 N8 C18 -102.6(12) 2_666 .
Ni4 O3 N8 Ni3 -34.2(11) . .
Ni2 O3 N8 Ni3 74.6(10) 2_666 .
O2 Ni3 N8 C18 -172.9(11) . .
N6 Ni3 N8 C18 -170(6) . .
N7 Ni3 N8 C18 5.1(11) . .
O2 Ni3 N8 O3 10.0(10) . .
N6 Ni3 N8 O3 13(6) . .
N7 Ni3 N8 O3 -172.1(10) . .
N11 Ni4 N10 C23 5.3(10) . .
O3 Ni4 N10 C23 -167.4(10) . .
O2 Ni4 N10 C23 95(7) . .
O2W Ni4 N10 C23 100.8(10) . .
N5 Ni4 N10 C23 -83.8(10) 2_666 .
N11 Ni4 N10 C19 -170.4(13) . .
O3 Ni4 N10 C19 16.9(12) . .
O2 Ni4 N10 C19 -81(7) . .
O2W Ni4 N10 C19 -74.9(12) . .
N5 Ni4 N10 C19 100.5(12) 2_666 .
Ni1 O4 N11 C24 2.5(14) . .
Ni2 O4 N11 C24 178.6(9) . .
Ni1 O4 N11 Ni4 165.2(7) . .
Ni2 O4 N11 Ni4 -18.7(16) . .
O3 Ni4 N11 C24 47(3) . .
O2 Ni4 N11 C24 174.1(11) . .
N10 Ni4 N11 C24 -9.9(11) . .
O2W Ni4 N11 C24 -98.2(11) . .
N5 Ni4 N11 C24 85.5(11) 2_666 .
O3 Ni4 N11 O4 -114(3) . .
O2 Ni4 N11 O4 12.6(12) . .
N10 Ni4 N11 O4 -171.4(13) . .
O2W Ni4 N11 O4 100.3(12) . .
N5 Ni4 N11 O4 -76.0(12) 2_666 .
O4 Ni1 N12 C24 3.4(10) . .
N2 Ni1 N12 C24 -28(5) . .
N1 Ni1 N12 C24 175.7(10) . .
C5 N1 C1 C2 3(3) . .
Ni1 N1 C1 C2 -173.1(13) . .
N1 C1 C2 C3 -2(3) . .
C1 C2 C3 C4 1(3) . .
C2 C3 C4 C5 -1(3) . .
C1 N1 C5 C4 -3(3) . .
Ni1 N1 C5 C4 173.1(13) . .
C1 N1 C5 C6 -176.5(15) . .
Ni1 N1 C5 C6 0.0(17) . .
C3 C4 C5 N1 2(3) . .
C3 C4 C5 C6 174.2(15) . .
O1 N2 C6 N3 5(2) . .
Ni1 N2 C6 N3 -180.0(12) . .
O1 N2 C6 C5 -177.7(12) . .
Ni1 N2 C6 C5 -3.0(19) . .
N1 C5 C6 N2 2(2) . .
C4 C5 C6 N2 -171.2(16) . .
N1 C5 C6 N3 179.0(14) . .
C4 C5 C6 N3 6(3) . .
C11 N4 C7 C8 -1(2) . .
Ni2 N4 C7 C8 178.5(12) . .
N4 C7 C8 C9 4(2) . .
C7 C8 C9 C10 -4(3) . .
C8 C9 C10 C11 2(2) . .
C7 N4 C11 C10 -2(2) . .
Ni2 N4 C11 C10 178.9(11) . .
C7 N4 C11 C12 -177.5(12) . .
Ni2 N4 C11 C12 2.8(16) . .
C9 C10 C11 N4 1(2) . .
C9 C10 C11 C12 177.1(14) . .
O2 N5 C12 N6 7.8(18) . .
Ni2 N5 C12 N6 152.2(11) . .
Ni4 N5 C12 N6 -103.4(14) 2_666 .
O2 N5 C12 C11 -171.1(10) . .
Ni2 N5 C12 C11 -26.7(15) . .
Ni4 N5 C12 C11 77.7(13) 2_666 .
Ni3 N6 C12 N5 -0.7(18) . .
Ni3 N6 C12 C11 178.0(11) . .
N4 C11 C12 N5 16.6(18) . .
C10 C11 C12 N5 -159.6(14) . .
N4 C11 C12 N6 -162.2(14) . .
C10 C11 C12 N6 22(2) . .
C17 N7 C13 C14 0(2) . .
Ni3 N7 C13 C14 178.8(12) . .
N7 C13 C14 C15 2(3) . .
C13 C14 C15 C16 -2(3) . .
C14 C15 C16 C17 0(2) . .
C15 C16 C17 N7 2(2) . .
C15 C16 C17 C18 175.8(15) . .
C13 N7 C17 C16 -2(2) . .
Ni3 N7 C17 C16 179.2(12) . .
C13 N7 C17 C18 -176.5(13) . .
Ni3 N7 C17 C18 4.3(15) . .
O3 N8 C18 N9 -5(2) . .
Ni3 N8 C18 N9 177.7(11) . .
O3 N8 C18 C17 173.6(11) . .
Ni3 N8 C18 C17 -3.7(17) . .
C16 C17 C18 N8 -175.3(15) . .
N7 C17 C18 N8 -0.5(18) . .
C16 C17 C18 N9 3(2) . .
N7 C17 C18 N9 178.2(12) . .
C23 N10 C19 C20 1(2) . .
Ni4 N10 C19 C20 176.8(13) . .
N10 C19 C20 C21 2(3) . .
C19 C20 C21 C22 -2(3) . .
C20 C21 C22 C23 0(3) . .
C19 N10 C23 C22 -4(2) . .
Ni4 N10 C23 C22 179.9(12) . .
C19 N10 C23 C24 175.5(12) . .
Ni4 N10 C23 C24 -0.6(16) . .
C21 C22 C23 N10 4(2) . .
C21 C22 C23 C24 -176.0(15) . .
O4 N11 C24 N12 0.5(19) . .
Ni4 N11 C24 N12 -165.4(11) . .
O4 N11 C24 C23 178.3(11) . .
Ni4 N11 C24 C23 12.4(17) . .
Ni1 N12 C24 N11 -3.1(18) . .
Ni1 N12 C24 C23 179.3(11) . .
N10 C23 C24 N11 -7.6(19) . .
C22 C23 C24 N11 172.0(15) . .
N10 C23 C24 N12 170.2(14) . .
C22 C23 C24 N12 -10(2) . .
