#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:01:11 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179551 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/20/4502016.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_4502016
loop_
_publ_author_name
'Qin, Ling'
'Hu, Jin-Song'
'Huang, Liang-Fang'
'Li, Yi-Zhi'
'Guo, Zi-Jian'
'Zheng, He-Gen'
_publ_section_title
;
 Syntheses, Characterizations, and Properties of Six Metal−Organic
 Complexes Based on Flexible Ligand 5-(4-Pyridyl)-methoxyl Isophthalic
 Acid
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4176
_journal_paper_doi               10.1021/cg100870v
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C28 H24 N2 Ni2 O13'
_chemical_formula_sum            'C28 H24 N2 Ni2 O13'
_chemical_formula_weight         713.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 110.793(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.192(3)
_cell_length_b                   13.1317(13)
_cell_length_c                   13.3261(13)
_cell_measurement_reflns_used    4632
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.326
_cell_measurement_theta_min      2.179
_cell_volume                     5757.3(9)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14113
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.381
_exptl_absorpt_correction_T_max  0.738
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5074
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0616P)²+1.9900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                4205
_reflns_number_total             5074
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100870v_si_002.cif
_cod_data_source_block           2
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        5757.2(10)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               4502016
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.39735(11) 0.3395(3) 0.5906(3) 0.0263(8) Uani 1 1 d .
C2 C 0.52950(10) 0.1816(3) 0.6140(3) 0.0270(8) Uani 1 1 d .
C3 C 0.44099(10) 0.3495(3) 0.6021(3) 0.0232(8) Uani 1 1 d .
C4 C 0.46398(10) 0.2624(3) 0.6047(3) 0.0252(8) Uani 1 1 d .
H4 H 0.4524 0.1982 0.6009 0.030 Uiso 1 1 calc R
C5 C 0.50393(10) 0.2724(3) 0.6129(3) 0.0232(8) Uani 1 1 d .
C6 C 0.52180(11) 0.3681(3) 0.6231(3) 0.0276(8) Uani 1 1 d .
H6 H 0.5489 0.3745 0.6292 0.033 Uiso 1 1 calc R
C7 C 0.49927(11) 0.4530(3) 0.6240(3) 0.0295(9) Uani 1 1 d .
C8 C 0.45832(11) 0.4439(3) 0.6102(3) 0.0276(8) Uani 1 1 d .
H8 H 0.4427 0.5019 0.6065 0.033 Uiso 1 1 calc R
C9 C 0.55609(11) 0.5663(3) 0.6616(3) 0.0315(9) Uani 1 1 d .
H9A H 0.5642 0.5362 0.6058 0.038 Uiso 1 1 calc R
H9B H 0.5720 0.5354 0.7297 0.038 Uiso 1 1 calc R
C10 C 0.56284(11) 0.6787(3) 0.6660(3) 0.0281(8) Uani 1 1 d .
C11 C 0.59918(11) 0.7180(3) 0.6645(3) 0.0345(9) Uani 1 1 d .
H11 H 0.6202 0.6745 0.6659 0.041 Uiso 1 1 calc R
C12 C 0.60388(12) 0.8218(3) 0.6608(4) 0.0365(10) Uani 1 1 d .
H12 H 0.6283 0.8470 0.6591 0.044 Uiso 1 1 calc R
C13 C 0.54038(12) 0.8500(3) 0.6633(4) 0.0407(11) Uani 1 1 d .
H13 H 0.5202 0.8952 0.6649 0.049 Uiso 1 1 calc R
C14 C 0.53271(12) 0.7474(3) 0.6650(4) 0.0386(10) Uani 1 1 d .
H14 H 0.5078 0.7244 0.6654 0.046 Uiso 1 1 calc R
C15 C 0.28377(10) 0.3456(3) 0.3641(3) 0.0278(8) Uani 1 1 d .
C16 C 0.15341(12) 0.4615(3) 0.0836(3) 0.0341(9) Uani 1 1 d .
C17 C 0.25863(10) 0.3718(3) 0.2502(3) 0.0248(8) Uani 1 1 d .
C18 C 0.21934(10) 0.4049(3) 0.2224(3) 0.0235(8) Uani 1 1 d .
H18 H 0.2079 0.4134 0.2748 0.028 Uiso 1 1 calc R
C19 C 0.19675(10) 0.4256(3) 0.1160(3) 0.0251(8) Uani 1 1 d .
C20 C 0.21386(11) 0.4144(3) 0.0389(3) 0.0297(9) Uani 1 1 d .
H20 H 0.1986 0.4285 -0.0325 0.036 Uiso 1 1 calc R
C21 C 0.25388(11) 0.3821(3) 0.0670(3) 0.0290(9) Uani 1 1 d .
C22 C 0.27654(11) 0.3604(3) 0.1727(3) 0.0299(9) Uani 1 1 d .
H22 H 0.3033 0.3385 0.1920 0.036 Uiso 1 1 calc R
C23 C 0.30832(11) 0.3613(3) -0.0001(3) 0.0369(10) Uani 1 1 d .
H23A H 0.3190 0.3008 0.0422 0.044 Uiso 1 1 calc R
H23B H 0.3232 0.4200 0.0384 0.044 Uiso 1 1 calc R
C24 C 0.31274(11) 0.3529(3) -0.1079(3) 0.0303(9) Uani 1 1 d .
C25 C 0.28074(12) 0.3723(3) -0.2018(3) 0.0348(10) Uani 1 1 d .
H25 H 0.2557 0.3927 -0.1996 0.042 Uiso 1 1 calc R
C26 C 0.28597(11) 0.3615(3) -0.2979(3) 0.0338(9) Uani 1 1 d .
H26 H 0.2642 0.3767 -0.3604 0.041 Uiso 1 1 calc R
C27 C 0.35120(12) 0.3101(3) -0.2157(3) 0.0400(11) Uani 1 1 d .
H27 H 0.3756 0.2874 -0.2199 0.048 Uiso 1 1 calc R
C28 C 0.34870(12) 0.3208(3) -0.1168(3) 0.0431(11) Uani 1 1 d .
H28 H 0.3711 0.3065 -0.0555 0.052 Uiso 1 1 calc R
N1 N 0.57476(9) 0.8884(2) 0.6596(3) 0.0301(7) Uani 1 1 d .
N2 N 0.32079(9) 0.3302(2) -0.3067(2) 0.0274(7) Uani 1 1 d .
Ni1 Ni 0.577421(13) 0.04077(3) 0.63419(4) 0.02503(15) Uani 1 1 d .
Ni2 Ni 0.325564(13) 0.30316(4) 0.54789(4) 0.02475(15) Uani 1 1 d .
O1 O 0.37427(7) 0.41506(19) 0.5702(2) 0.0345(6) Uani 1 1 d .
O2 O 0.38373(7) 0.25204(18) 0.6001(2) 0.0253(6) Uani 1 1 d .
O3 O 0.51615(7) 0.09210(18) 0.6157(2) 0.0306(6) Uani 1 1 d .
O4 O 0.56507(7) 0.19488(17) 0.6161(2) 0.0304(6) Uani 1 1 d .
O5 O 0.51408(8) 0.55039(18) 0.6393(2) 0.0395(7) Uani 1 1 d .
O6 O 0.27096(7) 0.36666(19) 0.43971(19) 0.0295(6) Uani 1 1 d .
O7 O 0.31730(7) 0.3032(2) 0.3851(2) 0.0371(7) Uani 1 1 d .
O8 O 0.13853(10) 0.5023(3) -0.0067(3) 0.0850(14) Uani 1 1 d .
O9 O 0.13608(7) 0.45255(19) 0.1495(2) 0.0294(6) Uani 1 1 d .
O10 O 0.26684(8) 0.3719(2) -0.0176(2) 0.0446(8) Uani 1 1 d .
O11 O 0.59340(8) 0.0680(2) 0.7967(2) 0.0358(6) Uani 1 1 d .
H11A H 0.6120 0.0265 0.8314 0.054 Uiso 1 1 d R
H11B H 0.6022 0.1286 0.8104 0.054 Uiso 1 1 d R
O12 O 0.55562(8) 0.0206(2) 0.4698(2) 0.0387(7) Uani 1 1 d .
H12A H 0.5683 -0.0282 0.4539 0.058 Uiso 1 1 d R
H12B H 0.5304 0.0067 0.4485 0.058 Uiso 1 1 d R
O13 O 0.30278(8) 0.1588(2) 0.5385(2) 0.0429(7) Uani 1 1 d .
H13B H 0.2773 0.1619 0.5241 0.064 Uiso 1 1 d R
H13C H 0.3076 0.1264 0.4890 0.064 Uiso 1 1 d R
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'
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 O2 120.1(3) . .
O1 C1 C3 121.2(3) . .
O2 C1 C3 118.7(3) . .
O1 C1 Ni2 64.14(19) . .
O2 C1 Ni2 56.46(17) . .
C3 C1 Ni2 170.3(3) . .
O4 C2 O3 120.1(3) . .
O4 C2 C5 118.9(3) . .
O3 C2 C5 121.0(3) . .
O4 C2 Ni1 57.36(18) . .
O3 C2 Ni1 62.88(18) . .
C5 C2 Ni1 173.4(3) . .
C8 C3 C4 120.2(3) . .
C8 C3 C1 120.0(3) . .
C4 C3 C1 119.8(3) . .
C5 C4 C3 119.4(3) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 120.5(3) . .
C4 C5 C2 121.4(3) . .
C6 C5 C2 118.1(3) . .
C7 C6 C5 119.6(3) . .
C7 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
O5 C7 C6 124.8(3) . .
O5 C7 C8 115.0(3) . .
C6 C7 C8 120.2(3) . .
C3 C8 C7 120.0(3) . .
C3 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
O5 C9 C10 107.1(3) . .
O5 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
O5 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C11 C10 C14 117.6(3) . .
C11 C10 C9 120.2(3) . .
C14 C10 C9 122.1(3) . .
C12 C11 C10 119.5(4) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
N1 C12 C11 123.0(3) . .
N1 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N1 C13 C14 124.0(4) . .
N1 C13 H13 118.0 . .
C14 C13 H13 118.0 . .
C13 C14 C10 118.9(3) . .
C13 C14 H14 120.6 . .
C10 C14 H14 120.6 . .
O7 C15 O6 119.6(3) . .
O7 C15 C17 120.1(3) . .
O6 C15 C17 120.3(3) . .
O7 C15 Ni2 58.97(19) . .
O6 C15 Ni2 60.64(18) . .
C17 C15 Ni2 179.0(2) . .
O9 C16 O8 125.4(4) . .
O9 C16 C19 118.0(3) . .
O8 C16 C19 116.5(3) . .
C18 C17 C22 120.8(3) . .
C18 C17 C15 121.5(3) . .
C22 C17 C15 117.7(3) . .
C17 C18 C19 119.8(3) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 120.1(3) . .
C20 C19 C16 119.3(3) . .
C18 C19 C16 120.7(3) . .
C19 C20 C21 120.3(3) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
O10 C21 C22 125.6(3) . .
O10 C21 C20 114.3(3) . .
C22 C21 C20 120.1(3) . .
C21 C22 C17 118.9(3) . .
C21 C22 H22 120.5 . .
C17 C22 H22 120.5 . .
O10 C23 C24 107.7(3) . .
O10 C23 H23A 110.2 . .
C24 C23 H23A 110.2 . .
O10 C23 H23B 110.2 . .
C24 C23 H23B 110.2 . .
H23A C23 H23B 108.5 . .
C28 C24 C25 117.3(4) . .
C28 C24 C23 120.9(4) . .
C25 C24 C23 121.7(3) . .
C26 C25 C24 119.6(3) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
N2 C26 C25 123.2(4) . .
N2 C26 H26 118.4 . .
C25 C26 H26 118.4 . .
N2 C27 C28 123.8(4) . .
N2 C27 H27 118.1 . .
C28 C27 H27 118.1 . .
C27 C28 C24 119.5(4) . .
C27 C28 H28 120.3 . .
C24 C28 H28 120.3 . .
C13 N1 C12 117.0(3) . .
C13 N1 Ni1 118.4(3) . 1_565
C12 N1 Ni1 124.2(2) . 1_565
C27 N2 C26 116.6(3) . .
C27 N2 Ni2 121.5(2) . 1_554
C26 N2 Ni2 121.7(3) . 1_554
O9 Ni1 N1 97.63(11) 8_556 1_545
O9 Ni1 O12 95.43(10) 8_556 .
N1 Ni1 O12 91.67(12) 1_545 .
O9 Ni1 O4 97.78(10) 8_556 .
N1 Ni1 O4 164.03(11) 1_545 .
O12 Ni1 O4 91.03(11) . .
O9 Ni1 O11 89.93(10) 8_556 .
N1 Ni1 O11 90.40(12) 1_545 .
O12 Ni1 O11 173.95(10) . .
O4 Ni1 O11 85.45(11) . .
O9 Ni1 O3 159.53(10) 8_556 .
N1 Ni1 O3 102.69(10) 1_545 .
O12 Ni1 O3 86.54(10) . .
O4 Ni1 O3 61.77(9) . .
O11 Ni1 O3 87.46(10) . .
O9 Ni1 C2 128.47(11) 8_556 .
N1 Ni1 C2 133.49(12) 1_545 .
O12 Ni1 C2 89.91(12) . .
O4 Ni1 C2 30.76(10) . .
O11 Ni1 C2 84.55(11) . .
O3 Ni1 C2 31.06(10) . .
O2 Ni2 N2 98.35(11) . 1_556
O2 Ni2 O13 92.31(10) . .
N2 Ni2 O13 93.26(12) 1_556 .
O2 Ni2 O7 96.21(10) . .
N2 Ni2 O7 164.41(11) 1_556 .
O13 Ni2 O7 91.68(12) . .
O2 Ni2 O6 157.50(10) . .
N2 Ni2 O6 102.56(11) 1_556 .
O13 Ni2 O6 94.69(11) . .
O7 Ni2 O6 62.27(9) . .
O2 Ni2 O1 62.02(9) . .
N2 Ni2 O1 94.52(11) 1_556 .
O13 Ni2 O1 154.00(10) . .
O7 Ni2 O1 87.39(11) . .
O6 Ni2 O1 107.71(10) . .
O2 Ni2 C15 126.68(11) . .
N2 Ni2 C15 133.97(12) 1_556 .
O13 Ni2 C15 93.84(12) . .
O7 Ni2 C15 30.76(10) . .
O6 Ni2 C15 31.51(10) . .
O1 Ni2 C15 98.44(11) . .
O2 Ni2 C1 31.42(10) . .
N2 Ni2 C1 99.96(12) 1_556 .
O13 Ni2 C1 123.28(12) . .
O7 Ni2 C1 89.60(11) . .
O6 Ni2 C1 134.19(11) . .
O1 Ni2 C1 30.78(10) . .
C15 Ni2 C1 113.40(12) . .
C1 O1 Ni2 85.1(2) . .
C1 O2 Ni2 92.1(2) . .
C2 O3 Ni1 86.1(2) . .
C2 O4 Ni1 91.9(2) . .
C7 O5 C9 118.9(3) . .
C15 O6 Ni2 87.8(2) . .
C15 O7 Ni2 90.3(2) . .
C16 O9 Ni1 132.2(2) . 8_455
C21 O10 C23 120.4(3) . .
Ni1 O11 H11A 109.2 . .
Ni1 O11 H11B 109.3 . .
H11A O11 H11B 109.5 . .
Ni1 O12 H12A 109.3 . .
Ni1 O12 H12B 109.4 . .
H12A O12 H12B 109.5 . .
Ni2 O13 H13B 109.3 . .
Ni2 O13 H13C 109.3 . .
H13B O13 H13C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.249(4) .
C1 O2 1.269(4) .
C1 C3 1.494(5) .
C1 Ni2 2.432(4) .
C2 O4 1.255(4) .
C2 O3 1.268(4) .
C2 C5 1.491(5) .
C2 Ni1 2.452(4) .
C3 C8 1.369(5) .
C3 C4 1.394(5) .
C4 C5 1.377(5) .
C4 H4 0.9300 .
C5 C6 1.391(5) .
C6 C7 1.371(5) .
C6 H6 0.9300 .
C7 O5 1.368(4) .
C7 C8 1.392(5) .
C8 H8 0.9300 .
C9 O5 1.416(4) .
C9 C10 1.493(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.386(5) .
C10 C14 1.388(5) .
C11 C12 1.376(5) .
C11 H11 0.9300 .
C12 N1 1.343(5) .
C12 H12 0.9300 .
C13 N1 1.328(5) .
C13 C14 1.377(5) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O7 1.244(4) .
C15 O6 1.272(4) .
C15 C17 1.501(5) .
C15 Ni2 2.432(4) .
C16 O9 1.240(4) .
C16 O8 1.249(5) .
C16 C19 1.506(5) .
C17 C18 1.369(5) .
C17 C22 1.396(5) .
C18 C19 1.384(5) .
C18 H18 0.9300 .
C19 C20 1.370(5) .
C20 C21 1.389(5) .
C20 H20 0.9300 .
C21 O10 1.365(4) .
C21 C22 1.379(5) .
C22 H22 0.9300 .
C23 O10 1.401(4) .
C23 C24 1.503(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C28 1.378(5) .
C24 C25 1.377(5) .
C25 C26 1.365(5) .
C25 H25 0.9300 .
C26 N2 1.337(4) .
C26 H26 0.9300 .
C27 N2 1.328(5) .
C27 C28 1.359(5) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N1 Ni1 2.037(3) 1_565
N2 Ni2 2.034(3) 1_554
Ni1 O9 2.003(2) 8_556
Ni1 N1 2.037(3) 1_545
Ni1 O12 2.066(3) .
Ni1 O4 2.066(2) .
Ni1 O11 2.067(3) .
Ni1 O3 2.188(2) .
Ni2 O2 2.028(2) .
Ni2 N2 2.034(3) 1_556
Ni2 O13 2.044(3) .
Ni2 O7 2.084(3) .
Ni2 O6 2.121(2) .
Ni2 O1 2.196(3) .
O9 Ni1 2.003(2) 8_455
O11 H11A 0.8502 .
O11 H11B 0.8500 .
O12 H12A 0.8501 .
O12 H12B 0.8500 .
O13 H13B 0.8502 .
O13 H13C 0.8500 .
