#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:31:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180438 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/07/7210715.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_7210715
loop_
_publ_author_name
'Liao, Yu-Hung'
'Hsu, Wayne'
'Yang, Chun-Chuen'
'Wu, Can-Yu'
'Chen, Jhy-Der'
'Wang, Ju-Chun'
_publ_section_title
;
 Structural diversity of Ni(ii) coordination polymers containing dipyridyl
 amide and angular dicarboxylate ligands: synthesis, structures and
 magnetism
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              3974
_journal_paper_doi               10.1039/c3ce26928k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C31 H32 N4 Ni O8'
_chemical_formula_weight         647.32
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.6850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9158(3)
_cell_length_b                   14.3094(4)
_cell_length_c                   18.5432(5)
_cell_measurement_reflns_used    5259
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.42
_cell_volume                     3151.20(15)
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2010)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2010)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0859
_diffrn_reflns_av_sigmaI/netI    0.1057
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30058
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS, 2008)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.567
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         7822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1526
_refine_ls_R_factor_gt           0.0555
_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)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                3595
_reflns_number_total             7822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce26928k.txt
_cod_data_source_block           1
_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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7210715
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni Ni -0.61563(3) 0.50449(3) 0.74154(2) 0.04085(13) Uani 1 1 d .
O1 O -0.26426(19) 0.24442(16) 1.00203(13) 0.0632(7) Uani 1 1 d .
O2 O 0.2271(2) 0.24856(17) 0.96412(14) 0.0835(9) Uani 1 1 d .
O3 O -0.64546(18) 0.37389(14) 0.69843(12) 0.0495(6) Uani 1 1 d .
O4 O -0.74986(17) 0.42016(14) 0.78277(12) 0.0491(6) Uani 1 1 d .
O5 O -0.73987(17) -0.40894(15) 0.68198(12) 0.0506(6) Uani 1 1 d .
O6 O -0.64115(18) -0.36149(14) 0.77892(12) 0.0494(6) Uani 1 1 d .
N1 N -0.5073(2) 0.46743(18) 0.82805(14) 0.0437(7) Uani 1 1 d .
N2 N -0.2778(2) 0.40254(18) 1.00504(14) 0.0474(7) Uani 1 1 d .
H2N H -0.2545 0.4508 1.0295 0.057 Uiso 1 1 calc R
N3 N 0.2518(2) 0.09230(18) 0.97301(14) 0.0512(8) Uani 1 1 d .
H3N H 0.2304 0.0434 0.9951 0.061 Uiso 1 1 calc R
N4 N 0.4973(2) 0.03660(18) 0.82886(14) 0.0446(7) Uani 1 1 d .
C1 C -0.4719(3) 0.3806(2) 0.8410(2) 0.0559(10) Uani 1 1 d .
H1A H -0.4979 0.3347 0.8083 0.067 Uiso 1 1 calc R
C2 C -0.4000(3) 0.3530(2) 0.89873(19) 0.0532(9) Uani 1 1 d .
H2A H -0.3800 0.2905 0.9048 0.064 Uiso 1 1 calc R
C3 C -0.3580(3) 0.4195(2) 0.94761(17) 0.0409(8) Uani 1 1 d .
C4 C -0.3960(2) 0.5103(2) 0.93574(17) 0.0461(8) Uani 1 1 d .
H4A H -0.3712 0.5577 0.9674 0.055 Uiso 1 1 calc R
C5 C -0.4699(3) 0.5301(2) 0.87763(19) 0.0488(9) Uani 1 1 d .
H5A H -0.4958 0.5912 0.8722 0.059 Uiso 1 1 calc R
C6 C -0.2316(3) 0.3195(2) 1.02737(18) 0.0468(9) Uani 1 1 d .
C7 C -0.1389(3) 0.3271(2) 1.08733(18) 0.0522(9) Uani 1 1 d .
H7A H -0.1725 0.3328 1.1330 0.063 Uiso 1 1 calc R
H7B H -0.0964 0.3837 1.0803 0.063 Uiso 1 1 calc R
C8 C -0.0575(3) 0.2438(2) 1.09196(17) 0.0511(9) Uani 1 1 d .
H8A H -0.0167 0.2430 1.1394 0.061 Uiso 1 1 calc R
H8B H -0.1004 0.1863 1.0865 0.061 Uiso 1 1 calc R
C9 C 0.0266(3) 0.2476(2) 1.03424(18) 0.0526(9) Uani 1 1 d .
H9A H 0.0708 0.3043 1.0406 0.063 Uiso 1 1 calc R
H9B H -0.0143 0.2501 0.9869 0.063 Uiso 1 1 calc R
C10 C 0.1060(3) 0.1633(2) 1.03734(17) 0.0521(9) Uani 1 1 d .
H10A H 0.1386 0.1553 1.0866 0.063 Uiso 1 1 calc R
H10B H 0.0631 0.1075 1.0239 0.063 Uiso 1 1 calc R
C11 C 0.1989(3) 0.1742(2) 0.98796(19) 0.0546(10) Uani 1 1 d .
C12 C 0.3365(3) 0.0788(2) 0.92608(17) 0.0452(8) Uani 1 1 d .
C13 C 0.3864(3) -0.0085(2) 0.92472(18) 0.0530(9) Uani 1 1 d .
H13A H 0.3665 -0.0551 0.9562 0.064 Uiso 1 1 calc R
C14 C 0.4654(3) -0.0259(2) 0.87669(19) 0.0548(10) Uani 1 1 d .
H14A H 0.4987 -0.0847 0.8774 0.066 Uiso 1 1 calc R
C15 C 0.4480(3) 0.1196(2) 0.8313(2) 0.0588(10) Uani 1 1 d .
H15A H 0.4677 0.1644 0.7982 0.071 Uiso 1 1 calc R
C16 C 0.3708(3) 0.1447(2) 0.87832(19) 0.0607(11) Uani 1 1 d .
H16A H 0.3419 0.2051 0.8781 0.073 Uiso 1 1 calc R
C17 C -0.7239(3) 0.3579(2) 0.73861(18) 0.0415(8) Uani 1 1 d .
C18 C -0.7822(2) 0.2660(2) 0.73443(17) 0.0399(8) Uani 1 1 d .
C19 C -0.7544(3) 0.2002(2) 0.68482(19) 0.0504(9) Uani 1 1 d .
H19A H -0.6988 0.2134 0.6539 0.060 Uiso 1 1 calc R
C20 C -0.8086(3) 0.1146(2) 0.6805(2) 0.0593(10) Uani 1 1 d .
H20A H -0.7874 0.0702 0.6476 0.071 Uiso 1 1 calc R
C21 C -0.8934(3) 0.0944(2) 0.7243(2) 0.0495(9) Uani 1 1 d .
C22 C -0.9193(3) 0.1600(2) 0.77455(19) 0.0551(10) Uani 1 1 d .
H22A H -0.9741 0.1467 0.8060 0.066 Uiso 1 1 calc R
C23 C -0.8652(3) 0.2453(2) 0.77907(18) 0.0496(9) Uani 1 1 d .
H23A H -0.8851 0.2893 0.8127 0.059 Uiso 1 1 calc R
C24 C -0.9585(3) 0.0041(2) 0.7161(2) 0.0670(11) Uani 1 1 d .
H24A H -1.0064 0.0066 0.6712 0.080 Uiso 1 1 calc R
H24B H -1.0073 -0.0005 0.7553 0.080 Uiso 1 1 calc R
C25 C -0.8875(3) -0.0835(2) 0.7157(2) 0.0487(9) Uani 1 1 d .
C26 C -0.9033(2) -0.1473(2) 0.66094(19) 0.0484(9) Uani 1 1 d .
H26A H -0.9523 -0.1334 0.6208 0.058 Uiso 1 1 calc R
C27 C -0.8479(3) -0.2320(2) 0.66426(18) 0.0453(8) Uani 1 1 d .
H27A H -0.8617 -0.2753 0.6272 0.054 Uiso 1 1 calc R
C28 C -0.7721(2) -0.2531(2) 0.72225(17) 0.0374(8) Uani 1 1 d .
C29 C -0.7506(3) -0.1864(2) 0.77568(19) 0.0518(9) Uani 1 1 d .
H29A H -0.6971 -0.1984 0.8140 0.062 Uiso 1 1 calc R
C30 C -0.8079(3) -0.1024(2) 0.7727(2) 0.0595(10) Uani 1 1 d .
H30A H -0.7930 -0.0583 0.8090 0.071 Uiso 1 1 calc R
C31 C -0.7150(3) -0.3459(2) 0.72778(19) 0.0423(8) Uani 1 1 d .
O7 O -0.1890(3) 0.5657(2) 1.07666(19) 0.0687(8) Uani 1 1 d .
H7WB H -0.200(3) 0.620(3) 1.061(2) 0.085(15) Uiso 1 1 d .
H7WA H -0.213(4) 0.569(4) 1.118(3) 0.15(3) Uiso 1 1 d .
O8 O 0.1774(3) -0.0706(2) 1.03994(19) 0.0695(9) Uani 1 1 d .
H8WB H 0.191(3) -0.117(3) 1.023(2) 0.078(16) Uiso 1 1 d .
H8WA H 0.209(4) -0.072(3) 1.093(3) 0.15(2) Uiso 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'
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
N1 Ni O3 98.48(10) . .
N1 Ni N4 97.74(10) . 2_556
O3 Ni N4 93.57(9) . 2_556
N1 Ni O6 94.48(10) . 1_565
O3 Ni O6 161.54(9) . 1_565
N4 Ni O6 97.65(9) 2_556 1_565
N1 Ni O5 155.62(10) . 1_565
O3 Ni O5 103.48(9) . 1_565
N4 Ni O5 91.38(9) 2_556 1_565
O6 Ni O5 61.79(8) 1_565 1_565
N1 Ni O4 90.89(9) . .
O3 Ni O4 61.72(8) . .
N4 Ni O4 154.87(9) 2_556 .
O6 Ni O4 105.19(8) 1_565 .
O5 Ni O4 90.28(8) 1_565 .
N1 Ni C31 125.25(12) . 1_565
O3 Ni C31 133.50(11) . 1_565
N4 Ni C31 95.14(10) 2_556 1_565
O6 Ni C31 30.94(9) 1_565 1_565
O5 Ni C31 30.85(9) 1_565 1_565
O4 Ni C31 99.05(9) . 1_565
N1 Ni C17 95.31(10) . .
O3 Ni C17 30.84(9) . .
N4 Ni C17 124.30(11) 2_556 .
O6 Ni C17 134.90(10) 1_565 .
O5 Ni C17 98.11(9) 1_565 .
O4 Ni C17 30.88(8) . .
C31 Ni C17 119.63(10) 1_565 .
C17 O3 Ni 92.78(18) . .
C17 O4 Ni 86.46(18) . .
C31 O5 Ni 87.2(2) . 1_545
C31 O6 Ni 91.39(19) . 1_545
C1 N1 C5 114.8(3) . .
C1 N1 Ni 123.8(2) . .
C5 N1 Ni 121.3(2) . .
C6 N2 C3 128.4(3) . .
C6 N2 H2N 115.8 . .
C3 N2 H2N 115.8 . .
C11 N3 C12 127.7(3) . .
C11 N3 H3N 116.2 . .
C12 N3 H3N 116.2 . .
C15 N4 C14 115.2(3) . .
C15 N4 Ni 123.5(2) . 2_546
C14 N4 Ni 121.4(2) . 2_546
N1 C1 C2 125.4(3) . .
N1 C1 H1A 117.3 . .
C2 C1 H1A 117.3 . .
C1 C2 C3 118.9(3) . .
C1 C2 H2A 120.6 . .
C3 C2 H2A 120.6 . .
C2 C3 C4 116.4(3) . .
C2 C3 N2 124.8(3) . .
C4 C3 N2 118.7(3) . .
C5 C4 C3 120.1(3) . .
C5 C4 H4A 120.0 . .
C3 C4 H4A 120.0 . .
N1 C5 C4 124.2(3) . .
N1 C5 H5A 117.9 . .
C4 C5 H5A 117.9 . .
O1 C6 N2 122.8(3) . .
O1 C6 C7 122.6(3) . .
N2 C6 C7 114.6(3) . .
C6 C7 C8 114.0(3) . .
C6 C7 H7A 108.7 . .
C8 C7 H7A 108.7 . .
C6 C7 H7B 108.7 . .
C8 C7 H7B 108.7 . .
H7A C7 H7B 107.6 . .
C9 C8 C7 112.4(3) . .
C9 C8 H8A 109.1 . .
C7 C8 H8A 109.1 . .
C9 C8 H8B 109.1 . .
C7 C8 H8B 109.1 . .
H8A C8 H8B 107.8 . .
C8 C9 C10 112.7(3) . .
C8 C9 H9A 109.1 . .
C10 C9 H9A 109.1 . .
C8 C9 H9B 109.1 . .
C10 C9 H9B 109.1 . .
H9A C9 H9B 107.8 . .
C11 C10 C9 112.3(3) . .
C11 C10 H10A 109.1 . .
C9 C10 H10A 109.1 . .
C11 C10 H10B 109.1 . .
C9 C10 H10B 109.1 . .
H10A C10 H10B 107.9 . .
O2 C11 N3 122.2(3) . .
O2 C11 C10 123.7(3) . .
N3 C11 C10 114.1(3) . .
C16 C12 C13 117.1(3) . .
C16 C12 N3 124.9(3) . .
C13 C12 N3 118.0(3) . .
C14 C13 C12 119.6(3) . .
C14 C13 H13A 120.2 . .
C12 C13 H13A 120.2 . .
N4 C14 C13 123.9(3) . .
N4 C14 H14A 118.0 . .
C13 C14 H14A 118.0 . .
N4 C15 C16 125.4(3) . .
N4 C15 H15A 117.3 . .
C16 C15 H15A 117.3 . .
C15 C16 C12 118.7(3) . .
C15 C16 H16A 120.6 . .
C12 C16 H16A 120.6 . .
O3 C17 O4 119.0(3) . .
O3 C17 C18 119.7(3) . .
O4 C17 C18 121.3(3) . .
O3 C17 Ni 56.38(15) . .
O4 C17 Ni 62.66(16) . .
C18 C17 Ni 175.8(2) . .
C23 C18 C19 118.7(3) . .
C23 C18 C17 121.0(3) . .
C19 C18 C17 120.2(3) . .
C18 C19 C20 120.5(3) . .
C18 C19 H19A 119.8 . .
C20 C19 H19A 119.8 . .
C21 C20 C19 120.9(3) . .
C21 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C22 C21 C20 118.1(3) . .
C22 C21 C24 120.7(3) . .
C20 C21 C24 121.1(3) . .
C21 C22 C23 121.0(3) . .
C21 C22 H22A 119.5 . .
C23 C22 H22A 119.5 . .
C18 C23 C22 120.7(3) . .
C18 C23 H23A 119.7 . .
C22 C23 H23A 119.7 . .
C21 C24 C25 115.2(3) . .
C21 C24 H24A 108.5 . .
C25 C24 H24A 108.5 . .
C21 C24 H24B 108.5 . .
C25 C24 H24B 108.5 . .
H24A C24 H24B 107.5 . .
C26 C25 C30 118.6(3) . .
C26 C25 C24 120.9(3) . .
C30 C25 C24 120.4(3) . .
C25 C26 C27 121.2(3) . .
C25 C26 H26A 119.4 . .
C27 C26 H26A 119.4 . .
C26 C27 C28 120.5(3) . .
C26 C27 H27A 119.8 . .
C28 C27 H27A 119.8 . .
C27 C28 C29 118.6(3) . .
C27 C28 C31 120.9(3) . .
C29 C28 C31 120.5(3) . .
C28 C29 C30 120.6(3) . .
C28 C29 H29A 119.7 . .
C30 C29 H29A 119.7 . .
C29 C30 C25 120.3(3) . .
C29 C30 H30A 119.8 . .
C25 C30 H30A 119.8 . .
O5 C31 O6 119.6(3) . .
O5 C31 C28 120.7(3) . .
O6 C31 C28 119.7(3) . .
O5 C31 Ni 61.90(17) . 1_545
O6 C31 Ni 57.67(16) . 1_545
C28 C31 Ni 177.4(3) . 1_545
H7WB O7 H7WA 102(4) . .
H8WB O8 H8WA 107(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni N1 2.045(3) .
Ni O3 2.052(2) .
Ni N4 2.050(3) 2_556
Ni O6 2.070(2) 1_565
Ni O5 2.163(2) 1_565
Ni O4 2.191(2) .
Ni C31 2.449(3) 1_565
Ni C17 2.462(3) .
O1 C6 1.223(4) .
O2 C11 1.210(4) .
O3 C17 1.263(3) .
O4 C17 1.266(3) .
O5 C31 1.257(4) .
O5 Ni 2.163(2) 1_545
O6 C31 1.260(4) .
O6 Ni 2.070(2) 1_545
N1 C1 1.327(4) .
N1 C5 1.334(4) .
N2 C6 1.361(4) .
N2 C3 1.393(4) .
N2 H2N 0.8600 .
N3 C11 1.370(4) .
N3 C12 1.399(4) .
N3 H3N 0.8600 .
N4 C15 1.327(4) .
N4 C14 1.337(4) .
N4 Ni 2.050(2) 2_546
C1 C2 1.372(4) .
C1 H1A 0.9300 .
C2 C3 1.380(4) .
C2 H2A 0.9300 .
C3 C4 1.387(4) .
C4 C5 1.364(4) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.505(4) .
C7 C8 1.535(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.526(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.531(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.502(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C12 C16 1.378(4) .
C12 C13 1.385(4) .
C13 C14 1.370(4) .
C13 H13A 0.9300 .
C14 H14A 0.9300 .
C15 C16 1.367(4) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.486(4) .
C18 C23 1.372(4) .
C18 C19 1.375(4) .
C19 C20 1.384(4) .
C19 H19A 0.9300 .
C20 C21 1.378(4) .
C20 H20A 0.9300 .
C21 C22 1.376(4) .
C21 C24 1.509(4) .
C22 C23 1.380(4) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 C25 1.513(4) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.368(4) .
C25 C30 1.388(5) .
C26 C27 1.380(4) .
C26 H26A 0.9300 .
C27 C28 1.380(4) .
C27 H27A 0.9300 .
C28 C29 1.384(4) .
C28 C31 1.492(4) .
C29 C30 1.382(4) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 Ni 2.449(3) 1_545
O7 H7WB 0.84(4) .
O7 H7WA 0.84(5) .
O8 H8WB 0.76(4) .
O8 H8WA 1.02(5) .
