#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:04:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179466 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/63/4336352.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_4336352
loop_
_publ_author_name
'Jia Li'
'Bao Li'
'Peng Huang'
'Hai-Yan Shi'
'Rong-Bin Huang'
'Lan-Sun Zheng'
'Jun Tao'
_publ_contact_author_address
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
_publ_contact_author_email       taojun@xmu.edu.cn
_publ_contact_author_name        'Prof. Jun Tao'
_publ_contact_author_phone       86-592-2188138
_publ_section_title
;
 Four Coordination Polymers Based on Identical Eight-Connected
 Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and
 Gas Adsorption
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11573
_journal_page_last               11579
_journal_paper_doi               10.1021/ic401912k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C66 H40 N4 Ni7 O26'
_chemical_formula_weight         1715.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.612(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.6192(8)
_cell_length_b                   12.9919(6)
_cell_length_c                   20.3610(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3501.5(3)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies.'
_computing_data_collection       'CrysAlisPro, Agilent Technologies.'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14722
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         3.39
_exptl_absorpt_coefficient_mu    1.925
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_F_000             1736
_refine_diff_density_max         0.909
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         5958
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0520P)²+11.8855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1203
_reflns_number_gt                5044
_reflns_number_total             5958
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401912k_si_002_1.cif
_cod_data_source_block           4
_cod_database_code               4336352
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Ni1 Ni 0.2500 0.34565(6) 0.2500 0.01224(19) Uani 1 2 d S
Ni2 Ni 0.08452(4) 0.41919(4) 0.34701(3) 0.01073(15) Uani 1 1 d .
Ni3 Ni 0.15669(4) 0.60270(4) 0.27546(2) 0.00788(15) Uani 1 1 d .
Ni4 Ni 0.30967(4) 0.75037(4) 0.36454(2) 0.01000(15) Uani 1 1 d .
O1 O 0.1669(2) 0.7586(2) 0.29514(14) 0.0125(6) Uani 1 1 d .
O2 O 0.1164(2) 0.8354(2) 0.19435(14) 0.0146(7) Uani 1 1 d .
O3 O 0.0395(3) 1.2773(2) 0.31308(16) 0.0199(7) Uani 1 1 d .
O4 O 0.1644(4) 1.2232(3) 0.2689(3) 0.0587(15) Uani 1 1 d U
C1 C 0.0298(5) 0.8987(4) 0.3396(3) 0.0332(14) Uani 1 1 d .
H1 H 0.0217 0.8310 0.3522 0.040 Uiso 1 1 calc R
C2 C 0.0834(4) 0.9191(3) 0.2903(2) 0.0186(10) Uani 1 1 d .
C3 C 0.1011(4) 1.0185(4) 0.2740(2) 0.0189(10) Uani 1 1 d .
H3 H 0.1370 1.0318 0.2413 0.023 Uiso 1 1 calc R
C4 C 0.0653(4) 1.0996(4) 0.3063(3) 0.0223(11) Uani 1 1 d .
C5 C 0.0084(5) 1.0791(4) 0.3529(3) 0.0344(14) Uani 1 1 d .
H5 H -0.0171 1.1338 0.3732 0.041 Uiso 1 1 calc R
C6 C -0.0118(5) 0.9786(4) 0.3702(3) 0.0399(15) Uani 1 1 d .
C7 C -0.0811(6) 0.9603(5) 0.4160(4) 0.0502(18) Uani 1 1 d .
C8 C -0.0828(8) 0.8711(5) 0.4498(5) 0.082(3) Uani 1 1 d .
H8 H -0.0367 0.8198 0.4462 0.098 Uiso 1 1 calc R
C9 C -0.1509(8) 0.8530(6) 0.4899(5) 0.093(4) Uani 1 1 d .
H9 H -0.1483 0.7909 0.5130 0.111 Uiso 1 1 calc R
C10 C -0.2197(7) 0.9229(6) 0.4960(4) 0.067(2) Uani 1 1 d .
H10 H -0.2679 0.9092 0.5204 0.081 Uiso 1 1 calc R
C11 C -0.2166(9) 1.0152(7) 0.4649(6) 0.102(4) Uani 1 1 d .
H11 H -0.2617 1.0672 0.4691 0.122 Uiso 1 1 calc R
C12 C -0.1455(8) 1.0311(6) 0.4267(5) 0.092(4) Uani 1 1 d .
H12 H -0.1430 1.0957 0.4075 0.110 Uiso 1 1 calc R
C13 C 0.0912(4) 1.2092(4) 0.2948(2) 0.0233(11) Uani 1 1 d .
C14 C 0.1253(3) 0.8320(3) 0.2571(2) 0.0124(9) Uani 1 1 d .
O5 O -0.0510(2) 0.4827(2) 0.29023(15) 0.0164(7) Uani 1 1 d .
O6 O 0.0059(2) 0.6171(2) 0.23967(15) 0.0171(7) Uani 1 1 d .
C15 C -0.2500 1.1141(12) 0.2500 0.172(6) Uani 1 2 d SU
H15 H -0.2500 1.1857 0.2500 0.206 Uiso 1 2 calc SR
C16 C -0.1827(10) 1.0593(8) 0.2154(9) 0.173(6) Uani 1 1 d U
H16 H -0.1407 1.0939 0.1928 0.208 Uiso 1 1 calc R
C17 C -0.1853(8) 0.9542(7) 0.2184(8) 0.159(5) Uani 1 1 d U
H17 H -0.1416 0.9174 0.1983 0.191 Uiso 1 1 calc R
C18 C -0.2500 0.8979(8) 0.2500 0.139(9) Uani 1 2 d S
C19 C -0.2500 0.7836(7) 0.2500 0.073(4) Uani 1 2 d S
C20 C -0.1627(5) 0.7288(5) 0.2504(4) 0.061(2) Uani 1 1 d .
H20 H -0.1039 0.7643 0.2492 0.073 Uiso 1 1 calc R
C21 C -0.1611(4) 0.6223(4) 0.2527(3) 0.0241(11) Uani 1 1 d .
C22 C -0.2500 0.5690(5) 0.2500 0.0188(14) Uani 1 2 d S
H22 H -0.2500 0.4975 0.2500 0.023 Uiso 1 2 calc SR
C23 C -0.0612(4) 0.5689(3) 0.2604(2) 0.0169(10) Uani 1 1 d .
O9 O 0.3257(3) 0.3535(5) 0.34708(17) 0.0610(16) Uani 1 1 d .
O10 O 0.2185(2) 0.3744(3) 0.41363(15) 0.0195(7) Uani 1 1 d .
N1 N 0.5587(3) 0.2780(3) 0.56419(17) 0.0168(8) Uani 1 1 d .
C24 C 0.5593(4) 0.2636(5) 0.4990(3) 0.0349(14) Uani 1 1 d .
H24 H 0.6167 0.2358 0.4885 0.042 Uiso 1 1 calc R
C25 C 0.4779(4) 0.2884(5) 0.4472(2) 0.0366(14) Uani 1 1 d .
H25 H 0.4815 0.2785 0.4026 0.044 Uiso 1 1 calc R
C26 C 0.3899(4) 0.3283(4) 0.4613(2) 0.0194(10) Uani 1 1 d .
C27 C 0.3884(4) 0.3382(4) 0.5277(2) 0.0281(12) Uani 1 1 d .
H27 H 0.3306 0.3618 0.5398 0.034 Uiso 1 1 calc R
C28 C 0.4740(4) 0.3129(4) 0.5774(2) 0.0256(12) Uani 1 1 d .
H28 H 0.4716 0.3208 0.6224 0.031 Uiso 1 1 calc R
C29 C 0.3033(4) 0.3548(4) 0.4028(2) 0.0204(11) Uani 1 1 d .
O8 O -0.2281(2) 0.3018(2) 0.56852(14) 0.0148(7) Uani 1 1 d .
O7 O -0.1264(2) 0.4206(2) 0.62916(14) 0.0126(7) Uani 1 1 d .
N2 N 0.0113(3) 0.3890(3) 0.42435(18) 0.0158(8) Uani 1 1 d .
C30 C 0.0587(4) 0.3911(4) 0.4911(2) 0.0188(10) Uani 1 1 d .
H30 H 0.1286 0.3983 0.5031 0.023 Uiso 1 1 calc R
C31 C 0.0074(4) 0.3829(3) 0.5415(2) 0.0171(10) Uani 1 1 d .
H31 H 0.0417 0.3874 0.5867 0.021 Uiso 1 1 calc R
C32 C -0.0962(4) 0.3678(3) 0.5242(2) 0.0155(10) Uani 1 1 d .
C33 C -0.1434(4) 0.3577(4) 0.4565(2) 0.0222(11) Uani 1 1 d .
H33 H -0.2121 0.3430 0.4435 0.027 Uiso 1 1 calc R
C34 C -0.0882(4) 0.3695(4) 0.4086(2) 0.0224(11) Uani 1 1 d .
H34 H -0.1213 0.3638 0.3633 0.027 Uiso 1 1 calc R
C35 C -0.1562(3) 0.3634(3) 0.5782(2) 0.0129(9) Uani 1 1 d .
O11 O 0.1464(2) 0.4476(2) 0.26843(13) 0.0106(6) Uani 1 1 d .
O12 O 0.3087(2) 0.6153(2) 0.31592(13) 0.0101(6) Uani 1 1 d .
O1W O 0.2921(3) 0.8938(2) 0.40691(16) 0.0217(8) 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'
O O 0.0106 0.0060 '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'
N N 0.0061 0.0033 '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
O9 Ni1 O9 174.2(3) . 2
O9 Ni1 O11 86.03(17) . 2
O9 Ni1 O11 90.19(15) 2 2
O9 Ni1 O11 90.19(15) . .
O9 Ni1 O11 86.03(17) 2 .
O11 Ni1 O11 98.75(16) 2 .
O9 Ni1 O4 92.3(2) . 2_545
O9 Ni1 O4 92.1(2) 2 2_545
O11 Ni1 O4 91.16(14) 2 2_545
O11 Ni1 O4 169.92(15) . 2_545
O9 Ni1 O4 92.1(2) . 1_545
O9 Ni1 O4 92.3(2) 2 1_545
O11 Ni1 O4 169.92(15) 2 1_545
O11 Ni1 O4 91.16(14) . 1_545
O4 Ni1 O4 79.0(2) 2_545 1_545
O11 Ni2 O3 92.62(12) . 1_545
O11 Ni2 O10 95.87(12) . .
O3 Ni2 O10 96.73(13) 1_545 .
O11 Ni2 N2 176.36(14) . .
O3 Ni2 N2 85.75(14) 1_545 .
O10 Ni2 N2 87.55(14) . .
O11 Ni2 O5 88.18(12) . .
O3 Ni2 O5 90.77(13) 1_545 .
O10 Ni2 O5 171.29(12) . .
N2 Ni2 O5 88.59(14) . .
O11 Ni2 O7 82.28(11) . 3_566
O3 Ni2 O7 172.87(12) 1_545 3_566
O10 Ni2 O7 88.78(12) . 3_566
N2 Ni2 O7 99.05(13) . 3_566
O5 Ni2 O7 84.12(12) . 3_566
O6 Ni3 O11 91.08(13) . .
O6 Ni3 O12 95.60(12) . 2
O11 Ni3 O12 92.44(11) . 2
O6 Ni3 O12 169.81(12) . .
O11 Ni3 O12 98.91(12) . .
O12 Ni3 O12 86.07(11) 2 .
O6 Ni3 O1 89.74(12) . .
O11 Ni3 O1 172.84(11) . .
O12 Ni3 O1 94.56(11) 2 .
O12 Ni3 O1 80.10(12) . .
O6 Ni3 O7 86.70(12) . 3_566
O11 Ni3 O7 84.04(11) . 3_566
O12 Ni3 O7 175.84(12) 2 3_566
O12 Ni3 O7 92.28(11) . 3_566
O1 Ni3 O7 88.90(11) . 3_566
O6 Ni3 Ni3 139.21(9) . 2
O11 Ni3 Ni3 91.50(8) . 2
O12 Ni3 Ni3 43.62(8) 2 2
O12 Ni3 Ni3 43.19(8) . 2
O1 Ni3 Ni3 92.53(9) . 2
O7 Ni3 Ni3 134.04(9) 3_566 2
O12 Ni4 N1 95.40(14) . 3_666
O12 Ni4 O2 97.39(12) . 2
N1 Ni4 O2 92.44(14) 3_666 2
O12 Ni4 O8 95.52(12) . 3_566
N1 Ni4 O8 89.45(14) 3_666 3_566
O2 Ni4 O8 166.71(12) 2 3_566
O12 Ni4 O1W 172.58(13) . .
N1 Ni4 O1W 91.96(14) 3_666 .
O2 Ni4 O1W 83.19(12) 2 .
O8 Ni4 O1W 83.60(13) 3_566 .
O12 Ni4 O1 79.50(11) . .
N1 Ni4 O1 171.68(13) 3_666 .
O2 Ni4 O1 94.73(12) 2 .
O8 Ni4 O1 84.54(12) 3_566 .
O1W Ni4 O1 93.08(12) . .
C14 O1 Ni3 128.0(3) . .
C14 O1 Ni4 130.5(3) . .
Ni3 O1 Ni4 95.10(12) . .
C14 O2 Ni4 129.1(3) . 2
C13 O3 Ni2 127.3(3) . 1_565
C13 O4 Ni1 137.4(3) . 1_565
C6 C1 C2 121.0(5) . .
C3 C2 C1 120.2(4) . .
C3 C2 C14 119.7(4) . .
C1 C2 C14 120.0(4) . .
C2 C3 C4 119.9(4) . .
C5 C4 C3 119.6(5) . .
C5 C4 C13 118.7(4) . .
C3 C4 C13 121.6(4) . .
C4 C5 C6 121.9(5) . .
C1 C6 C5 117.1(5) . .
C1 C6 C7 122.9(5) . .
C5 C6 C7 119.8(5) . .
C12 C7 C8 114.9(6) . .
C12 C7 C6 122.2(6) . .
C8 C7 C6 122.9(6) . .
C7 C8 C9 122.5(7) . .
C10 C9 C8 121.3(7) . .
C9 C10 C11 117.4(8) . .
C10 C11 C12 119.4(9) . .
C7 C12 C11 124.3(8) . .
O3 C13 O4 126.2(5) . .
O3 C13 C4 117.3(4) . .
O4 C13 C4 116.5(4) . .
O2 C14 O1 124.6(4) . .
O2 C14 C2 118.5(4) . .
O1 C14 C2 116.9(4) . .
C23 O5 Ni2 126.4(3) . .
C23 O6 Ni3 126.1(3) . .
C16 C15 C16 121.8(15) . 2_455
C17 C16 C15 116.0(17) . .
C16 C17 C18 124.3(16) . .
C17 C18 C17 117.6(13) . 2_455
C17 C18 C19 121.2(7) . .
C17 C18 C19 121.2(7) 2_455 .
C20 C19 C20 118.2(8) 2_455 .
C20 C19 C18 120.9(4) 2_455 .
C20 C19 C18 120.9(4) . .
C21 C20 C19 121.4(6) . .
C20 C21 C22 119.4(5) . .
C20 C21 C23 118.2(5) . .
C22 C21 C23 122.4(5) . .
C21 C22 C21 120.0(6) . 2_455
O6 C23 O5 126.5(4) . .
O6 C23 C21 116.4(4) . .
O5 C23 C21 117.0(4) . .
C29 O9 Ni1 136.2(4) . .
C29 O10 Ni2 130.2(3) . .
C28 N1 C24 117.2(4) . .
C28 N1 Ni4 125.1(3) . 3_666
C24 N1 Ni4 117.7(3) . 3_666
N1 C24 C25 122.2(5) . .
C24 C25 C26 120.3(5) . .
C27 C26 C25 116.9(4) . .
C27 C26 C29 124.8(5) . .
C25 C26 C29 118.2(4) . .
C26 C27 C28 119.6(5) . .
N1 C28 C27 123.6(4) . .
O9 C29 O10 126.8(4) . .
O9 C29 C26 113.8(4) . .
O10 C29 C26 119.4(4) . .
C35 O8 Ni4 129.2(3) . 3_566
C35 O7 Ni3 125.4(3) . 3_566
C35 O7 Ni2 139.5(3) . 3_566
Ni3 O7 Ni2 91.71(11) 3_566 3_566
C34 N2 C30 117.2(4) . .
C34 N2 Ni2 119.3(3) . .
C30 N2 Ni2 123.4(3) . .
N2 C30 C31 122.6(5) . .
C30 C31 C32 119.1(4) . .
C33 C32 C31 118.4(4) . .
C33 C32 C35 121.0(4) . .
C31 C32 C35 120.7(4) . .
C34 C33 C32 119.5(5) . .
N2 C34 C33 122.9(4) . .
O8 C35 O7 126.7(4) . .
O8 C35 C32 116.6(4) . .
O7 C35 C32 116.7(4) . .
Ni2 O11 Ni3 99.29(12) . .
Ni2 O11 Ni1 117.81(13) . .
Ni3 O11 Ni1 128.47(15) . .
Ni4 O12 Ni3 123.00(14) . 2
Ni4 O12 Ni3 99.00(12) . .
Ni3 O12 Ni3 93.20(11) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O9 2.005(4) .
Ni1 O9 2.005(4) 2
Ni1 O11 2.033(3) 2
Ni1 O11 2.033(3) .
Ni1 O4 2.061(4) 2_545
Ni1 O4 2.061(4) 1_545
Ni2 O11 2.010(3) .
Ni2 O3 2.013(3) 1_545
Ni2 O10 2.084(3) .
Ni2 N2 2.090(4) .
Ni2 O5 2.102(3) .
Ni2 O7 2.182(3) 3_566
Ni3 O6 2.020(3) .
Ni3 O11 2.023(3) .
Ni3 O12 2.030(3) 2
Ni3 O12 2.047(3) .
Ni3 O1 2.064(3) .
Ni3 O7 2.100(3) 3_566
Ni3 Ni3 2.9623(11) 2
Ni4 O12 2.014(3) .
Ni4 N1 2.057(4) 3_666
Ni4 O2 2.059(3) 2
Ni4 O8 2.065(3) 3_566
Ni4 O1W 2.091(3) .
Ni4 O1 2.121(3) .
O1 C14 1.274(5) .
O2 C14 1.255(5) .
O2 Ni4 2.059(3) 2
O3 C13 1.241(6) .
O3 Ni2 2.013(3) 1_565
O4 C13 1.246(6) .
O4 Ni1 2.061(4) 1_565
C1 C6 1.397(8) .
C1 C2 1.398(7) .
C2 C3 1.370(7) .
C2 C14 1.498(6) .
C3 C4 1.390(7) .
C4 C5 1.384(7) .
C4 C13 1.499(7) .
C5 C6 1.397(8) .
C6 C7 1.494(8) .
C7 C12 1.323(10) .
C7 C8 1.351(9) .
C8 C9 1.393(10) .
C9 C10 1.331(11) .
C10 C11 1.361(11) .
C11 C12 1.393(11) .
O5 C23 1.266(5) .
O6 C23 1.259(6) .
C15 C16 1.465(18) .
C15 C16 1.465(18) 2_455
C16 C17 1.367(13) .
C17 C18 1.411(15) .
C18 C17 1.411(15) 2_455
C18 C19 1.486(13) .
C19 C20 1.383(8) 2_455
C19 C20 1.383(8) .
C20 C21 1.385(8) .
C21 C22 1.385(6) .
C21 C23 1.503(7) .
C22 C21 1.385(6) 2_455
O9 C29 1.242(6) .
O10 C29 1.252(6) .
N1 C28 1.324(6) .
N1 C24 1.342(6) .
N1 Ni4 2.057(4) 3_666
C24 C25 1.378(7) .
C25 C26 1.395(7) .
C26 C27 1.365(7) .
C26 C29 1.506(6) .
C27 C28 1.390(7) .
O8 C35 1.244(5) .
O8 Ni4 2.065(3) 3_566
O7 C35 1.264(5) .
O7 Ni3 2.100(3) 3_566
O7 Ni2 2.182(3) 3_566
N2 C34 1.342(6) .
N2 C30 1.360(6) .
C30 C31 1.376(7) .
C31 C32 1.385(7) .
C32 C33 1.383(6) .
C32 C35 1.518(6) .
C33 C34 1.373(7) .
O12 Ni3 2.030(3) 2
