##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato)nickelate(II)
trihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C4 H8 N3 O +, H3 O +, C14 H6 N2 Ni O8 2-, 3(H2 O)'
_chemical_formula_sum     'C18 H23 N5 Ni O13'
_chemical_formula_iupac     '(C4 H8 N3 O) (H3 O) [Ni (C7 H3 N O4)2], 3H2 O'
_chemical_formula_weight     576.12
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.1466(9)
_cell_length_b     10.7420(12)
_cell_length_c     13.5061(15)
_cell_angle_alpha     74.890(2)
_cell_angle_beta     89.944(2)
_cell_angle_gamma     87.564(3)
_cell_volume     1140.0(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     1838
_cell_measurement_theta_min     2.8
_cell_measurement_theta_max     24.2
_cell_measurement_temperature     120(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.18
_exptl_crystal_size_mid     0.14
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.678
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     596
_exptl_absorpt_coefficient_mu     0.932
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1998)'
_exptl_absorpt_correction_T_min     0.803
_exptl_absorpt_correction_T_max     0.896
_exptl_special_details
;
;
_diffrn_ambient_temperature     120(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     11509
_diffrn_reflns_av_R_equivalents     0.0464
_diffrn_reflns_av_sigmaI/netI     0.0744
_diffrn_reflns_theta_min     1.97
_diffrn_reflns_theta_max     28.00
_diffrn_reflns_theta_full     28.00
_diffrn_measured_fraction_theta_max     0.981
_diffrn_measured_fraction_theta_full     0.981
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     5404
_reflns_number_gt     3827
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0831
_refine_ls_R_factor_gt     0.0533
_refine_ls_wR_factor_gt     0.1158
_refine_ls_wR_factor_ref     0.1335
_refine_ls_goodness_of_fit_ref     0.995
_refine_ls_restrained_S_all     0.995
_refine_ls_number_reflns     5404
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
           'calc w=1/[σ²(Fo²)+(0.0405P)²+2.37P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.840
_refine_diff_density_min     -0.372
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'SMART (Bruker, 1998)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 1998)'
_computing_data_reduction     'SAINT-Plus (Bruker, 1998)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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_disorder_assembly
    _atom_site_disorder_group
    Ni Ni1 0.26883(5) 0.07342(4) 0.22939(3) 0.01905(13) Uani d . 1 . .
    O O1 0.4241(3) -0.0881(2) 0.23014(17) 0.0225(5) Uani d . 1 . .
    O O2 0.4819(3) -0.2302(2) 0.13848(18) 0.0245(5) Uani d . 1 . .
    O O3 0.0829(3) 0.2229(2) 0.16633(17) 0.0211(5) Uani d . 1 . .
    O O4 -0.0572(3) 0.3100(2) 0.01983(17) 0.0254(5) Uani d . 1 . .
    O O5 0.4573(3) 0.2152(2) 0.18788(17) 0.0220(5) Uani d . 1 . .
    O O6 0.6101(3) 0.3404(2) 0.25748(18) 0.0271(5) Uani d . 1 . .
    O O7 0.1100(3) -0.0493(2) 0.33115(17) 0.0228(5) Uani d . 1 . .
    O O8 0.0881(3) -0.1386(2) 0.50037(18) 0.0271(5) Uani d . 1 . .
    N N1 0.2282(3) 0.0494(2) 0.0918(2) 0.0165(5) Uani d . 1 . .
    N N2 0.3261(3) 0.1077(2) 0.3616(2) 0.0161(5) Uani d . 1 . .
    C C1 0.3098(4) -0.0458(3) 0.0640(2) 0.0175(6) Uani d . 1 . .
    C C2 0.2950(4) -0.0601(3) -0.0352(2) 0.0201(7) Uani d . 1 . .
    H H2A 0.3515 -0.1291 -0.0547 0.024 Uiso calc R 1 . .
    C C3 0.1952(4) 0.0295(3) -0.1048(3) 0.0221(7) Uani d . 1 . .
    H H3A 0.1842 0.0227 -0.1732 0.027 Uiso calc R 1 . .
    C C4 0.1118(4) 0.1285(3) -0.0749(2) 0.0208(7) Uani d . 1 . .
    H H4A 0.0440 0.1904 -0.1221 0.025 Uiso calc R 1 . .
    C C5 0.1297(4) 0.1347(3) 0.0252(2) 0.0174(6) Uani d . 1 . .
    C C6 0.4140(4) -0.1286(3) 0.1508(2) 0.0189(7) Uani d . 1 . .
    C C7 0.0456(4) 0.2315(3) 0.0738(2) 0.0203(7) Uani d . 1 . .
    C C8 0.4375(4) 0.1947(3) 0.3651(2) 0.0175(6) Uani d . 1 . .
    C C9 0.4809(4) 0.2192(3) 0.4569(2) 0.0207(7) Uani d . 1 . .
    H H9A 0.5607 0.2803 0.4591 0.025 Uiso calc R 1 . .
    C C10 0.4039(4) 0.1512(3) 0.5470(2) 0.0212(7) Uani d . 1 . .
    H H10A 0.4291 0.1671 0.6112 0.025 Uiso calc R 1 . .
    C C11 0.2910(4) 0.0610(3) 0.5404(2) 0.0220(7) Uani d . 1 . .
    H H11A 0.2383 0.0134 0.6003 0.026 Uiso calc R 1 . .
    C C12 0.2554(4) 0.0409(3) 0.4455(2) 0.0168(6) Uani d . 1 . .
    C C13 0.5092(4) 0.2559(3) 0.2620(2) 0.0202(7) Uani d . 1 . .
    C C14 0.1407(4) -0.0569(3) 0.4255(2) 0.0193(7) Uani d . 1 . .
    O O9 0.7005(3) 0.4732(2) 0.46109(18) 0.0300(6) Uani d . 1 . .
    N N3 0.8635(3) 0.5880(3) 0.5417(2) 0.0186(6) Uani d . 1 . .
    H H3N 0.9098 0.6328 0.4886 0.028 Uiso d R 1 . .
    N N4 0.7837(3) 0.5199(3) 0.7029(2) 0.0202(6) Uani d . 1 . .
    N N5 0.9931(3) 0.6668(3) 0.6669(2) 0.0213(6) Uani d . 1 . .
    H H5NB 0.9862 0.6905 0.7286 0.032 Uiso d R 1 . .
    H H5NA 1.0388 0.7217 0.6217 0.032 Uiso d R 1 . .
    C C15 0.7458(4) 0.5019(3) 0.5378(3) 0.0217(7) Uani d . 1 . .
    C C16 0.8858(4) 0.5953(3) 0.6403(2) 0.0185(6) Uani d . 1 . .
    C C17 0.6828(4) 0.4533(3) 0.6458(3) 0.0226(7) Uani d . 1 . .
    H H17A 0.5647 0.4771 0.6499 0.027 Uiso calc R 1 . .
    H H17B 0.6996 0.3585 0.6710 0.027 Uiso calc R 1 . .
    C C18 0.7939(5) 0.4855(4) 0.8144(3) 0.0288(8) Uani d . 1 . .
    H H18A 0.8137 0.5627 0.8376 0.043 Uiso calc R 1 . .
    H H18B 0.8844 0.4214 0.8376 0.043 Uiso calc R 1 . .
    H H18C 0.6904 0.4491 0.8429 0.043 Uiso calc R 1 . .
    O O1W 0.9969(3) 0.7014(2) 0.35667(18) 0.0257(5) Uani d . 1 . .
    H H1WA 0.9086 0.6978 0.3243 0.038 Uiso d R 1 . .
    H H1WB 1.0206 0.7804 0.3398 0.038 Uiso d R 1 . .
    O O2W 0.7807(3) 0.4512(2) 0.10606(19) 0.0310(6) Uani d . 1 . .
    H H2WA 0.7267 0.3996 0.1517 0.046 Uiso d R 1 . .
    H H2WB 0.8208 0.4006 0.0723 0.046 Uiso d R 1 . .
    H H2WC 0.7360 0.5102 0.0580 0.046 Uiso d R 1 . .
    O O3W 0.7459(3) 0.6405(3) 0.2550(2) 0.0385(7) Uani d . 1 . .
    H H3WA 0.7188 0.5734 0.3000 0.058 Uiso d R 1 . .
    H H3WB 0.6564 0.6811 0.2316 0.058 Uiso d R 1 . .
    O O4W 0.6023(4) 0.6403(3) 0.0074(2) 0.0454(8) Uani d . 1 . .
    H H4WA 0.5592 0.6919 0.0393 0.068 Uiso d R 1 . .
    H H4WB 0.5964 0.6694 -0.0574 0.068 Uiso d R 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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 N1 . 1.972(3) ?
    Ni1 N2 . 1.974(3) ?
    Ni1 O1 . 2.101(2) ?
    Ni1 O7 . 2.121(2) ?
    Ni1 O3 . 2.163(2) ?
    Ni1 O5 . 2.178(2) ?
    O1 C6 . 1.262(4) ?
    O2 C6 . 1.252(4) ?
    O3 C7 . 1.265(4) ?
    O4 C7 . 1.251(4) ?
    O5 C13 . 1.272(4) ?
    O6 C13 . 1.240(4) ?
    O7 C14 . 1.280(4) ?
    O8 C14 . 1.243(4) ?
    N1 C1 . 1.330(4) ?
    N1 C5 . 1.342(4) ?
    N2 C12 . 1.320(4) ?
    N2 C8 . 1.340(4) ?
    C1 C2 . 1.394(4) ?
    C1 C6 . 1.509(4) ?
    C2 C3 . 1.391(5) ?
    C2 H2A . 0.9500 ?
    C3 C4 . 1.385(5) ?
    C3 H3A . 0.9500 ?
    C4 C5 . 1.379(4) ?
    C4 H4A . 0.9500 ?
    C5 C7 . 1.509(4) ?
    C8 C9 . 1.382(5) ?
    C8 C13 . 1.505(4) ?
    C9 C10 . 1.408(5) ?
    C9 H9A . 0.9500 ?
    C10 C11 . 1.384(5) ?
    C10 H10A . 0.9500 ?
    C11 C12 . 1.387(4) ?
    C11 H11A . 0.9500 ?
    C12 C14 . 1.511(4) ?
    O9 C15 . 1.218(4) ?
    N3 C16 . 1.368(4) ?
    N3 C15 . 1.370(4) ?
    N3 H3N . 0.8511 ?
    N4 C16 . 1.327(4) ?
    N4 C18 . 1.455(4) ?
    N4 C17 . 1.457(4) ?
    N5 C16 . 1.298(4) ?
    N5 H5NB . 0.9334 ?
    N5 H5NA . 0.8300 ?
    C15 C17 . 1.512(5) ?
    C17 H17A . 0.9900 ?
    C17 H17B . 0.9900 ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
    O1W H1WA . 0.8500 ?
    O1W H1WB . 0.8500 ?
    O2W H2WA . 0.8499 ?
    O2W H2WB . 0.8500 ?
    O2W H2WC . 0.8500 ?
    O3W H3WA . 0.8500 ?
    O3W H3WB . 0.8500 ?
    O4W H4WA . 0.8500 ?
    O4W H4WB . 0.8500 ?
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
    _geom_angle_publ_flag
    N1 Ni1 N2 . . 174.74(11) ?
    N1 Ni1 O1 . . 78.05(10) ?
    N2 Ni1 O1 . . 101.80(10) ?
    N1 Ni1 O7 . . 106.74(10) ?
    N2 Ni1 O7 . . 78.49(10) ?
    O1 Ni1 O7 . . 89.16(9) ?
    N1 Ni1 O3 . . 77.19(9) ?
    N2 Ni1 O3 . . 103.06(9) ?
    O1 Ni1 O3 . . 155.14(9) ?
    O7 Ni1 O3 . . 95.81(9) ?
    N1 Ni1 O5 . . 98.03(9) ?
    N2 Ni1 O5 . . 76.74(10) ?
    O1 Ni1 O5 . . 96.01(9) ?
    O7 Ni1 O5 . . 155.22(9) ?
    O3 Ni1 O5 . . 89.63(9) ?
    C6 O1 Ni1 . . 114.6(2) ?
    C7 O3 Ni1 . . 113.8(2) ?
    C13 O5 Ni1 . . 114.4(2) ?
    C14 O7 Ni1 . . 112.9(2) ?
    C1 N1 C5 . . 121.1(3) ?
    C1 N1 Ni1 . . 118.9(2) ?
    C5 N1 Ni1 . . 119.8(2) ?
    C12 N2 C8 . . 121.4(3) ?
    C12 N2 Ni1 . . 118.5(2) ?
    C8 N2 Ni1 . . 120.1(2) ?
    N1 C1 C2 . . 120.9(3) ?
    N1 C1 C6 . . 111.8(3) ?
    C2 C1 C6 . . 127.3(3) ?
    C3 C2 C1 . . 118.1(3) ?
    C3 C2 H2A . . 120.9 ?
    C1 C2 H2A . . 120.9 ?
    C4 C3 C2 . . 120.3(3) ?
    C4 C3 H3A . . 119.8 ?
    C2 C3 H3A . . 119.8 ?
    C5 C4 C3 . . 118.3(3) ?
    C5 C4 H4A . . 120.9 ?
    C3 C4 H4A . . 120.9 ?
    N1 C5 C4 . . 121.3(3) ?
    N1 C5 C7 . . 112.1(3) ?
    C4 C5 C7 . . 126.6(3) ?
    O2 C6 O1 . . 125.8(3) ?
    O2 C6 C1 . . 118.1(3) ?
    O1 C6 C1 . . 116.1(3) ?
    O4 C7 O3 . . 126.4(3) ?
    O4 C7 C5 . . 117.0(3) ?
    O3 C7 C5 . . 116.6(3) ?
    N2 C8 C9 . . 121.1(3) ?
    N2 C8 C13 . . 113.2(3) ?
    C9 C8 C13 . . 125.7(3) ?
    C8 C9 C10 . . 118.4(3) ?
    C8 C9 H9A . . 120.8 ?
    C10 C9 H9A . . 120.8 ?
    C11 C10 C9 . . 118.8(3) ?
    C11 C10 H10A . . 120.6 ?
    C9 C10 H10A . . 120.6 ?
    C10 C11 C12 . . 119.3(3) ?
    C10 C11 H11A . . 120.3 ?
    C12 C11 H11A . . 120.3 ?
    N2 C12 C11 . . 121.0(3) ?
    N2 C12 C14 . . 112.9(3) ?
    C11 C12 C14 . . 126.1(3) ?
    O6 C13 O5 . . 126.9(3) ?
    O6 C13 C8 . . 117.6(3) ?
    O5 C13 C8 . . 115.5(3) ?
    O8 C14 O7 . . 125.9(3) ?
    O8 C14 C12 . . 118.2(3) ?
    O7 C14 C12 . . 115.9(3) ?
    C16 N3 C15 . . 110.3(3) ?
    C16 N3 H3N . . 126.5 ?
    C15 N3 H3N . . 123.1 ?
    C16 N4 C18 . . 125.2(3) ?
    C16 N4 C17 . . 110.3(3) ?
    C18 N4 C17 . . 123.3(3) ?
    C16 N5 H5NB . . 122.1 ?
    C16 N5 H5NA . . 119.2 ?
    H5NB N5 H5NA . . 111.9 ?
    O9 C15 N3 . . 125.8(3) ?
    O9 C15 C17 . . 127.5(3) ?
    N3 C15 C17 . . 106.7(3) ?
    N5 C16 N4 . . 125.9(3) ?
    N5 C16 N3 . . 123.6(3) ?
    N4 C16 N3 . . 110.6(3) ?
    N4 C17 C15 . . 102.1(3) ?
    N4 C17 H17A . . 111.3 ?
    C15 C17 H17A . . 111.3 ?
    N4 C17 H17B . . 111.3 ?
    C15 C17 H17B . . 111.3 ?
    H17A C17 H17B . . 109.2 ?
    N4 C18 H18A . . 109.5 ?
    N4 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    N4 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    H1WA O1W H1WB . . 105.5 ?
    H2WA O2W H2WB . . 101.4 ?
    H2WA O2W H2WC . . 123.5 ?
    H2WB O2W H2WC . . 100.7 ?
    H3WA O3W H3WB . . 106.0 ?
    H4WA O4W H4WB . . 113.1 ?
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 Ni1 O1 C6 . . . . -3.8(2) ?
    N2 Ni1 O1 C6 . . . . -178.4(2) ?
    O7 Ni1 O1 C6 . . . . 103.5(2) ?
    O3 Ni1 O1 C6 . . . . 1.4(4) ?
    O5 Ni1 O1 C6 . . . . -100.8(2) ?
    N1 Ni1 O3 C7 . . . . -4.7(2) ?
    N2 Ni1 O3 C7 . . . . 169.9(2) ?
    O1 Ni1 O3 C7 . . . . -10.0(4) ?
    O7 Ni1 O3 C7 . . . . -110.6(2) ?
    O5 Ni1 O3 C7 . . . . 93.6(2) ?
    N1 Ni1 O5 C13 . . . . 178.0(2) ?
    N2 Ni1 O5 C13 . . . . -2.5(2) ?
    O1 Ni1 O5 C13 . . . . -103.3(2) ?
    O7 Ni1 O5 C13 . . . . -2.2(4) ?
    O3 Ni1 O5 C13 . . . . 101.0(2) ?
    N1 Ni1 O7 C14 . . . . 170.5(2) ?
    N2 Ni1 O7 C14 . . . . -8.9(2) ?
    O1 Ni1 O7 C14 . . . . 93.3(2) ?
    O3 Ni1 O7 C14 . . . . -111.1(2) ?
    O5 Ni1 O7 C14 . . . . -9.3(4) ?
    O1 Ni1 N1 C1 . . . . -1.0(2) ?
    O7 Ni1 N1 C1 . . . . -86.4(2) ?
    O3 Ni1 N1 C1 . . . . -178.7(2) ?
    O5 Ni1 N1 C1 . . . . 93.5(2) ?
    O1 Ni1 N1 C5 . . . . -175.6(2) ?
    O7 Ni1 N1 C5 . . . . 98.9(2) ?
    O3 Ni1 N1 C5 . . . . 6.6(2) ?
    O5 Ni1 N1 C5 . . . . -81.1(2) ?
    O1 Ni1 N2 C12 . . . . -83.0(2) ?
    O7 Ni1 N2 C12 . . . . 3.6(2) ?
    O3 Ni1 N2 C12 . . . . 97.0(2) ?
    O5 Ni1 N2 C12 . . . . -176.5(2) ?
    O1 Ni1 N2 C8 . . . . 95.3(2) ?
    O7 Ni1 N2 C8 . . . . -178.0(2) ?
    O3 Ni1 N2 C8 . . . . -84.7(2) ?
    O5 Ni1 N2 C8 . . . . 1.8(2) ?
    C5 N1 C1 C2 . . . . -0.3(4) ?
    Ni1 N1 C1 C2 . . . . -174.8(2) ?
    C5 N1 C1 C6 . . . . 179.3(3) ?
    Ni1 N1 C1 C6 . . . . 4.8(3) ?
    N1 C1 C2 C3 . . . . 1.3(5) ?
    C6 C1 C2 C3 . . . . -178.2(3) ?
    C1 C2 C3 C4 . . . . -0.9(5) ?
    C2 C3 C4 C5 . . . . -0.5(5) ?
    C1 N1 C5 C4 . . . . -1.2(5) ?
    Ni1 N1 C5 C4 . . . . 173.3(2) ?
    C1 N1 C5 C7 . . . . 178.2(3) ?
    Ni1 N1 C5 C7 . . . . -7.3(3) ?
    C3 C4 C5 N1 . . . . 1.6(5) ?
    C3 C4 C5 C7 . . . . -177.8(3) ?
    Ni1 O1 C6 O2 . . . . -172.4(3) ?
    Ni1 O1 C6 C1 . . . . 7.4(3) ?
    N1 C1 C6 O2 . . . . 171.8(3) ?
    C2 C1 C6 O2 . . . . -8.7(5) ?
    N1 C1 C6 O1 . . . . -8.1(4) ?
    C2 C1 C6 O1 . . . . 171.5(3) ?
    Ni1 O3 C7 O4 . . . . -179.7(3) ?
    Ni1 O3 C7 C5 . . . . 2.4(3) ?
    N1 C5 C7 O4 . . . . -175.4(3) ?
    C4 C5 C7 O4 . . . . 4.0(5) ?
    N1 C5 C7 O3 . . . . 2.7(4) ?
    C4 C5 C7 O3 . . . . -177.9(3) ?
    C12 N2 C8 C9 . . . . -1.0(4) ?
    Ni1 N2 C8 C9 . . . . -179.2(2) ?
    C12 N2 C8 C13 . . . . 177.3(3) ?
    Ni1 N2 C8 C13 . . . . -1.0(3) ?
    N2 C8 C9 C10 . . . . -0.6(5) ?
    C13 C8 C9 C10 . . . . -178.7(3) ?
    C8 C9 C10 C11 . . . . 1.4(5) ?
    C9 C10 C11 C12 . . . . -0.7(5) ?
    C8 N2 C12 C11 . . . . 1.8(4) ?
    Ni1 N2 C12 C11 . . . . -179.9(2) ?
    C8 N2 C12 C14 . . . . -176.9(3) ?
    Ni1 N2 C12 C14 . . . . 1.4(3) ?
    C10 C11 C12 N2 . . . . -0.9(5) ?
    C10 C11 C12 C14 . . . . 177.5(3) ?
    Ni1 O5 C13 O6 . . . . -176.5(3) ?
    Ni1 O5 C13 C8 . . . . 2.8(3) ?
    N2 C8 C13 O6 . . . . 178.0(3) ?
    C9 C8 C13 O6 . . . . -3.9(5) ?
    N2 C8 C13 O5 . . . . -1.3(4) ?
    C9 C8 C13 O5 . . . . 176.8(3) ?
    Ni1 O7 C14 O8 . . . . -165.9(3) ?
    Ni1 O7 C14 C12 . . . . 12.2(3) ?
    N2 C12 C14 O8 . . . . 168.8(3) ?
    C11 C12 C14 O8 . . . . -9.8(5) ?
    N2 C12 C14 O7 . . . . -9.5(4) ?
    C11 C12 C14 O7 . . . . 171.9(3) ?
    C16 N3 C15 O9 . . . . -178.9(3) ?
    C16 N3 C15 C17 . . . . 2.2(4) ?
    C18 N4 C16 N5 . . . . -11.9(5) ?
    C17 N4 C16 N5 . . . . -179.3(3) ?
    C18 N4 C16 N3 . . . . 167.9(3) ?
    C17 N4 C16 N3 . . . . 0.5(4) ?
    C15 N3 C16 N5 . . . . 178.1(3) ?
    C15 N3 C16 N4 . . . . -1.8(4) ?
    C16 N4 C17 C15 . . . . 0.8(3) ?
    C18 N4 C17 C15 . . . . -166.9(3) ?
    O9 C15 C17 N4 . . . . 179.4(3) ?
    N3 C15 C17 N4 . . . . -1.8(3) ?
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
    _geom_hbond_publ_flag
    N3 H3N O1W 1_555 0.85 1.891 2.726(4) 166 y
    N5 H5NB O3 2_666 0.93 1.959 2.861(4) 162 y
    N5 H5NA O8 1_665 0.83 1.967 2.777(4) 165 y
    O1W H1WA O3W 1_555 0.85 1.840 2.662(3) 162 y
    O1W H1WB O7 1_665 0.85 1.972 2.804(3) 166 y
    O2W H2WA O6 1_555 0.85 1.709 2.529(3) 161 y
    O2W H2WB O4 1_655 0.85 1.648 2.480(3) 165 y
    O2W H2WC O4W 1_555 0.85 1.726 2.521(3) 155 y
    O3W H3WA O9 1_555 0.85 2.169 2.926(4) 148 y
    O3W H3WB O2 1_565 0.85 1.943 2.765(4) 162 y
    O4W H4WA O2 1_565 0.85 1.852 2.682(4) 165 y
    O4W H4WB O5 2_665 0.85 1.911 2.722(4) 159 y
data_global
_journal_date_recd_electronic     2009-05-19
_journal_date_accepted     2009-06-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue      7
_journal_page_first     m824
_journal_page_last     m825
_journal_paper_category     QM
_journal_coeditor_code     PV2161
_publ_contact_author_name     'Hossein Aghabozorg'
_publ_contact_author_address
;
Faculty of Chemistry, Islamic Azad University, North Tehran Branch,
Tehran, Iran
;
_publ_contact_author_email     'haghabozorg@yahoo.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato)nickelate(II)
trihydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Attar Gharamaleki, Jafar' .
;
Young Researchers Club, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Aghabozorg, Hossein' .
;
Faculty of Chemistry, Islamic Azad University, North Tehran Branch,
Tehran, Iran
;
    'Derikvand, Zohreh' .
;
Department of Chemistry, Islamic Azad University, Khorramabad Branch,
Khorramabad, Iran
;
    'Yousefi, Mohammad' .
;
Department of Chemistry, Islamic Azad University, Shahr-e Rey Branch,
Tehran, Iran
;
