#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/75/2237588.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2237588
loop_
_publ_author_name
'Zhong, Kai-Long'
_publ_section_title
;
 Poly[aqua(μ₂-4,4'-bipyridine-κ²N:N')(ethane-1,2-diol-κO)(μ₂-sulfato-κ²O:O')nickel(II)]
;
_journal_coeditor_code           ZQ2195
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m154
_journal_page_last               m155
_journal_paper_doi               10.1107/S1600536813003772
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ni (S O4) (C10 H8 N2) (C2 H6 O2) (H2 O)]'
_chemical_formula_moiety         'C12 H16 N2 Ni O7 S'
_chemical_formula_sum            'C12 H16 N2 Ni O7 S'
_chemical_formula_weight         391.04
_chemical_name_systematic
Poly[aqua(μ₂-4,4'-bipyridine-κ²N:N')(ethane-1,2-diol-κO)(μ₂-sulfato-κ²O:O')nickel(II)]
_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                 95.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.022(2)
_cell_length_b                   22.606(5)
_cell_length_c                   12.123(2)
_cell_measurement_reflns_used    6950
_cell_measurement_temperature    223.15
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.28
_cell_volume                     3005.9(10)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223.15
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8555
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.468
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.409
_refine_ls_extinction_coef       0.0014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         3420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0501P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                2885
_reflns_number_total             3420
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            zq2195.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2237588
_cod_database_fobs_code          2237588
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Ni Ni1 0.5000 0.379715(14) 0.2500 0.01501(11) Uani d S 1 2
Ni Ni2 0.0000 0.378572(13) 0.2500 0.01544(11) Uani d S 1 2
S S1 0.23450(4) 0.39830(2) 0.10920(4) 0.01777(13) Uani d . 1 1
O O1 0.31124(12) 0.37951(6) 0.21319(12) 0.0197(3) Uani d . 1 1
O O1W 0.47576(13) 0.37522(5) 0.41787(12) 0.0234(3) Uani d . 1 1
H H1WA 0.4323 0.3957 0.4577 0.035 Uiso d R 1 1
H H1WB 0.5451 0.3772 0.4551 0.035 Uiso d R 1 1
O O2 0.10883(12) 0.37748(5) 0.11907(11) 0.0194(3) Uani d . 1 1
O O3 0.28195(13) 0.36860(7) 0.01488(13) 0.0289(4) Uani d . 1 1
O O4 0.23754(14) 0.46204(6) 0.09809(14) 0.0360(4) Uani d . 1 1
O O5 0.15466(13) 0.37609(6) 0.36000(12) 0.0233(3) Uani d . 1 1
H H5B 0.2169 0.3765 0.3282 0.028 Uiso calc R 1 1
O O6 0.30832(13) 0.43173(6) 0.52663(13) 0.0329(4) Uani d . 1 1
H H6A 0.2989 0.4663 0.5447 0.049 Uiso calc R 1 1
N N1 0.5000 0.28676(10) 0.2500 0.0188(5) Uani d S 1 2
N N2 0.5000 0.47137(10) 0.2500 0.0182(5) Uani d S 1 2
N N3 0.0000 0.28565(10) 0.2500 0.0213(5) Uani d S 1 2
N N4 0.0000 0.47128(10) 0.2500 0.0185(5) Uani d S 1 2
C C1 0.5000 0.16183(12) 0.2500 0.0188(6) Uani d S 1 2
C C2 0.43554(19) 0.19444(9) 0.16563(17) 0.0243(4) Uani d . 1 1
H H2A 0.3912 0.1750 0.1072 0.029 Uiso calc R 1 1
C C3 0.43763(19) 0.25555(9) 0.16891(18) 0.0245(4) Uani d . 1 1
H H3A 0.3935 0.2762 0.1119 0.029 Uiso calc R 1 1
C C4 0.58066(18) 0.50219(9) 0.19796(17) 0.0237(4) Uani d . 1 1
H H4A 0.6383 0.4815 0.1622 0.028 Uiso calc R 1 1
C C5 0.58292(18) 0.56309(8) 0.19449(17) 0.0233(4) Uani d . 1 1
H H5A 0.6395 0.5825 0.1553 0.028 Uiso calc R 1 1
C C6 0.5000 0.59546(12) 0.2500 0.0200(6) Uani d S 1 2
C C7 0.0000 0.16101(12) 0.2500 0.0215(6) Uani d S 1 2
C C8 0.0906(2) 0.19347(9) 0.2077(2) 0.0426(7) Uani d . 1 1
H H8A 0.1540 0.1741 0.1774 0.051 Uiso calc R 1 1
C C9 0.0880(2) 0.25446(10) 0.2101(2) 0.0419(6) Uani d . 1 1
H H9A 0.1515 0.2749 0.1821 0.050 Uiso calc R 1 1
C C10 0.0662(2) 0.50282(9) 0.32806(18) 0.0294(5) Uani d . 1 1
H H10A 0.1126 0.4824 0.3839 0.035 Uiso calc R 1 1
C C11 0.0692(2) 0.56365(9) 0.33016(18) 0.0282(5) Uani d . 1 1
H H11A 0.1180 0.5831 0.3857 0.034 Uiso calc R 1 1
C C12 0.0000 0.59610(12) 0.2500 0.0187(5) Uani d S 1 2
C C13 0.18041(19) 0.35033(9) 0.46738(18) 0.0274(5) Uani d . 1 1
H H13A 0.2502 0.3242 0.4675 0.033 Uiso calc R 1 1
H H13B 0.1111 0.3271 0.4854 0.033 Uiso calc R 1 1
C C14 0.2067(2) 0.39774(10) 0.55251(19) 0.0317(5) Uani d . 1 1
H H14A 0.1360 0.4232 0.5542 0.038 Uiso calc R 1 1
H H14B 0.2239 0.3800 0.6252 0.038 Uiso calc R 1 1
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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N2 Ni1 O1W . . 92.80(4)
N2 Ni1 O1W . 2_655 92.80(4)
O1W Ni1 O1W . 2_655 174.41(7)
N2 Ni1 O1 . . 90.13(4)
O1W Ni1 O1 . . 89.30(6)
O1W Ni1 O1 2_655 . 90.69(6)
N2 Ni1 O1 . 2_655 90.13(4)
O1W Ni1 O1 . 2_655 90.69(6)
O1W Ni1 O1 2_655 2_655 89.30(6)
O1 Ni1 O1 . 2_655 179.74(7)
N2 Ni1 N1 . . 180.0
O1W Ni1 N1 . . 87.20(4)
O1W Ni1 N1 2_655 . 87.20(4)
O1 Ni1 N1 . . 89.87(4)
O1 Ni1 N1 2_655 . 89.87(4)
O5 Ni2 O5 . 2 176.88(7)
O5 Ni2 O2 . 2 90.48(6)
O5 Ni2 O2 2 2 89.49(6)
O5 Ni2 O2 . . 89.49(6)
O5 Ni2 O2 2 . 90.48(6)
O2 Ni2 O2 2 . 178.64(7)
O5 Ni2 N4 . . 91.56(4)
O5 Ni2 N4 2 . 91.56(4)
O2 Ni2 N4 2 . 90.68(3)
O2 Ni2 N4 . . 90.68(3)
O5 Ni2 N3 . . 88.44(4)
O5 Ni2 N3 2 . 88.44(4)
O2 Ni2 N3 2 . 89.32(3)
O2 Ni2 N3 . . 89.32(3)
N4 Ni2 N3 . . 180.0
O4 S1 O3 . . 111.71(10)
O4 S1 O2 . . 110.77(8)
O3 S1 O2 . . 109.04(9)
O4 S1 O1 . . 109.99(8)
O3 S1 O1 . . 108.01(8)
O2 S1 O1 . . 107.18(8)
S1 O1 Ni1 . . 130.10(9)
Ni1 O1W H1WA . . 131.5
Ni1 O1W H1WB . . 108.7
H1WA O1W H1WB . . 101.4
S1 O2 Ni2 . . 132.26(9)
C13 O5 Ni2 . . 132.74(12)
C13 O5 H5B . . 109.5
Ni2 O5 H5B . . 111.9
C14 O6 H6A . . 109.5
C3 N1 C3 . 2_655 116.6(2)
C3 N1 Ni1 . . 121.69(12)
C3 N1 Ni1 2_655 . 121.69(12)
C4 N2 C4 2_655 . 117.1(2)
C4 N2 Ni1 2_655 . 121.44(12)
C4 N2 Ni1 . . 121.44(12)
C9 N3 C9 2 . 115.9(3)
C9 N3 Ni2 2 . 122.06(13)
C9 N3 Ni2 . . 122.06(13)
C10 N4 C10 . 2 115.8(2)
C10 N4 Ni2 . . 122.10(12)
C10 N4 Ni2 2 . 122.10(12)
C2 C1 C2 2_655 . 116.3(2)
C2 C1 C12 2_655 3_545 121.85(12)
C2 C1 C12 . 3_545 121.85(12)
C3 C2 C1 . . 120.03(18)
C3 C2 H2A . . 120.0
C1 C2 H2A . . 120.0
N1 C3 C2 . . 123.50(18)
N1 C3 H3A . . 118.2
C2 C3 H3A . . 118.2
N2 C4 C5 . . 123.4(2)
N2 C4 H4A . . 118.3
C5 C4 H4A . . 118.3
C4 C5 C6 . . 119.7(2)
C4 C5 H5A . . 120.2
C6 C5 H5A . . 120.2
C5 C6 C5 2_655 . 116.7(3)
C5 C6 C7 2_655 3 121.66(13)
C5 C6 C7 . 3 121.66(13)
C8 C7 C8 . 2 115.6(3)
C8 C7 C6 . 3_445 122.18(13)
C8 C7 C6 2 3_445 122.18(13)
C7 C8 C9 . . 120.5(2)
C7 C8 H8A . . 119.8
C9 C8 H8A . . 119.8
N3 C9 C8 . . 123.7(2)
N3 C9 H9A . . 118.1
C8 C9 H9A . . 118.1
N4 C10 C11 . . 123.70(19)
N4 C10 H10A . . 118.2
C11 C10 H10A . . 118.2
C10 C11 C12 . . 120.37(19)
C10 C11 H11A . . 119.8
C12 C11 H11A . . 119.8
C11 C12 C11 2 . 116.1(3)
C11 C12 C1 2 3_455 121.97(13)
C11 C12 C1 . 3_455 121.97(13)
O5 C13 C14 . . 110.12(17)
O5 C13 H13A . . 109.6
C14 C13 H13A . . 109.6
O5 C13 H13B . . 109.6
C14 C13 H13B . . 109.6
H13A C13 H13B . . 108.2
O6 C14 C13 . . 109.80(18)
O6 C14 H14A . . 109.7
C13 C14 H14A . . 109.7
O6 C14 H14B . . 109.7
C13 C14 H14B . . 109.7
H14A C14 H14B . . 108.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 N2 . 2.072(2) y
Ni1 O1W . 2.0809(15) y
Ni1 O1W 2_655 2.0809(15) ?
Ni1 O1 . 2.0844(14) y
Ni1 O1 2_655 2.0844(14) ?
Ni1 N1 . 2.101(2) y
Ni2 O5 . 2.0591(15) y
Ni2 O5 2 2.0591(15) ?
Ni2 O2 2 2.0817(15) ?
Ni2 O2 . 2.0817(15) y
Ni2 N4 . 2.096(2) y
Ni2 N3 . 2.101(2) y
S1 O4 . 1.4480(15) ?
S1 O3 . 1.4660(16) ?
S1 O2 . 1.4788(14) ?
S1 O1 . 1.5084(15) ?
O1W H1WA . 0.8500 ?
O1W H1WB . 0.8500 ?
O5 C13 . 1.429(2) ?
O5 H5B . 0.8200 ?
O6 C14 . 1.419(3) ?
O6 H6A . 0.8200 ?
N1 C3 . 1.343(2) ?
N1 C3 2_655 1.343(2) ?
N2 C4 2_655 1.336(2) ?
N2 C4 . 1.336(2) ?
N3 C9 2 1.328(3) ?
N3 C9 . 1.328(3) ?
N4 C10 . 1.342(2) ?
N4 C10 2 1.342(2) ?
C1 C2 2_655 1.397(2) ?
C1 C2 . 1.397(2) ?
C1 C12 3_545 1.486(4) ?
C2 C3 . 1.382(3) ?
C2 H2A . 0.9300 ?
C3 H3A . 0.9300 ?
C4 C5 . 1.378(3) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.395(2) ?
C5 H5A . 0.9300 ?
C6 C5 2_655 1.395(2) ?
C6 C7 3 1.482(4) ?
C7 C8 . 1.378(3) ?
C7 C8 2 1.378(3) ?
C7 C6 3_445 1.482(4) ?
C8 C9 . 1.379(3) ?
C8 H8A . 0.9300 ?
C9 H9A . 0.9300 ?
C10 C11 . 1.376(3) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.385(2) ?
C11 H11A . 0.9300 ?
C12 C11 2 1.385(2) ?
C12 C1 3_455 1.486(4) ?
C13 C14 . 1.496(3) ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O6 H6A O4 6_566 0.82 1.89 2.694(2) 164.6
O5 H5B O1 . 0.82 1.82 2.599(2) 158.2
O1W H1WA O6 . 0.85 1.86 2.693(2) 167.1
O1W H1WB O3 2_655 0.85 1.91 2.718(2) 157.3
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 S1 O1 Ni1 . . -70.98(12)
O3 S1 O1 Ni1 . . 51.16(12)
O2 S1 O1 Ni1 . . 168.52(9)
N2 Ni1 O1 S1 . . 68.28(10)
O1W Ni1 O1 S1 . . 161.08(10)
O1W Ni1 O1 S1 2_655 . -24.52(10)
N1 Ni1 O1 S1 . . -111.72(10)
O4 S1 O2 Ni2 . . -76.72(13)
O3 S1 O2 Ni2 . . 159.96(10)
O1 S1 O2 Ni2 . . 43.28(12)
O5 Ni2 O2 S1 . . -27.71(11)
O5 Ni2 O2 S1 2 . 155.42(10)
N4 Ni2 O2 S1 . . 63.85(10)
N3 Ni2 O2 S1 . . -116.15(10)
O2 Ni2 O5 C13 2 . 31.31(16)
O2 Ni2 O5 C13 . . -147.33(16)
N4 Ni2 O5 C13 . . 122.01(16)
N3 Ni2 O5 C13 . . -57.99(16)
O1W Ni1 N1 C3 . . 135.88(12)
O1W Ni1 N1 C3 2_655 . -44.12(12)
O1 Ni1 N1 C3 . . 46.58(12)
O1 Ni1 N1 C3 2_655 . -133.42(12)
O1W Ni1 N1 C3 . 2_655 -44.12(12)
O1W Ni1 N1 C3 2_655 2_655 135.88(12)
O1 Ni1 N1 C3 . 2_655 -133.42(12)
O1 Ni1 N1 C3 2_655 2_655 46.58(12)
O1W Ni1 N2 C4 . 2_655 -43.57(11)
O1W Ni1 N2 C4 2_655 2_655 136.43(11)
O1 Ni1 N2 C4 . 2_655 45.73(11)
O1 Ni1 N2 C4 2_655 2_655 -134.27(11)
O1W Ni1 N2 C4 . . 136.43(11)
O1W Ni1 N2 C4 2_655 . -43.57(11)
O1 Ni1 N2 C4 . . -134.27(11)
O1 Ni1 N2 C4 2_655 . 45.73(11)
O5 Ni2 N3 C9 . 2 114.53(16)
O5 Ni2 N3 C9 2 2 -65.47(16)
O2 Ni2 N3 C9 2 2 24.04(16)
O2 Ni2 N3 C9 . 2 -155.96(16)
O5 Ni2 N3 C9 . . -65.47(16)
O5 Ni2 N3 C9 2 . 114.53(16)
O2 Ni2 N3 C9 2 . -155.96(16)
O2 Ni2 N3 C9 . . 24.04(16)
O5 Ni2 N4 C10 . . -15.81(13)
O5 Ni2 N4 C10 2 . 164.19(13)
O2 Ni2 N4 C10 2 . 74.68(13)
O2 Ni2 N4 C10 . . -105.32(13)
O5 Ni2 N4 C10 . 2 164.19(13)
O5 Ni2 N4 C10 2 2 -15.81(13)
O2 Ni2 N4 C10 2 2 -105.32(13)
O2 Ni2 N4 C10 . 2 74.68(13)
C2 C1 C2 C3 2_655 . -0.18(15)
C12 C1 C2 C3 3_545 . 179.82(15)
C3 N1 C3 C2 2_655 . -0.20(16)
Ni1 N1 C3 C2 . . 179.80(16)
C1 C2 C3 N1 . . 0.4(3)
C4 N2 C4 C5 2_655 . -0.94(14)
Ni1 N2 C4 C5 . . 179.06(14)
N2 C4 C5 C6 . . 1.9(3)
C4 C5 C6 C5 . 2_655 -0.87(13)
C4 C5 C6 C7 . 3 179.13(13)
C8 C7 C8 C9 2 . 0.6(2)
C6 C7 C8 C9 3_445 . -179.4(2)
C9 N3 C9 C8 2 . 0.6(2)
Ni2 N3 C9 C8 . . -179.4(2)
C7 C8 C9 N3 . . -1.2(4)
C10 N4 C10 C11 2 . -0.58(17)
Ni2 N4 C10 C11 . . 179.42(17)
N4 C10 C11 C12 . . 1.2(3)
C10 C11 C12 C11 . 2 -0.54(16)
C10 C11 C12 C1 . 3_455 179.46(16)
Ni2 O5 C13 C14 . . -114.44(17)
O5 C13 C14 O6 . . -59.5(2)
