##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Aqua(6-methoxy-2-{[3-(3-methoxy-2-
oxidobenzylamino)propylamino]methyl}phenolato)ethanolnickel(II) nitrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C21 H33 N2 Ni O6 +, N O3 -'
_chemical_formula_sum     'C21 H33 N3 Ni O9'
_chemical_formula_iupac     '[Ni (C19 H25 N2 O4) (C2 H6 O) (H2 O)] N O3'
_chemical_formula_weight     530.21
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     13.030(4)
_cell_length_b     14.458(4)
_cell_length_c     13.484(4)
_cell_angle_alpha     90.00
_cell_angle_beta     100.776(4)
_cell_angle_gamma     90.00
_cell_volume     2495.5(12)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3041
_cell_measurement_theta_min     2.411
_cell_measurement_theta_max     24.417
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     'blue'
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.43
_exptl_crystal_size_min     0.37
_exptl_crystal_density_diffrn     1.411
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1120
_exptl_absorpt_coefficient_mu     0.831
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.7062
_exptl_absorpt_correction_T_max     0.7486
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(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     'Siemens SMART 1000 CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     12688
_diffrn_reflns_av_R_equivalents     0.0722
_diffrn_reflns_av_sigmaI/netI     0.0791
_diffrn_reflns_theta_min     2.00
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_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 > 2sigma(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     4387
_reflns_number_gt     2896
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0867
_refine_ls_R_factor_gt     0.0457
_refine_ls_wR_factor_gt     0.1086
_refine_ls_wR_factor_ref     0.1397
_refine_ls_goodness_of_fit_ref     1.067
_refine_ls_restrained_S_all     1.067
_refine_ls_number_reflns     4387
_refine_ls_number_parameters     325
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
          'calc w=1/[σ²(Fo²)+(0.061P)²+0.2037P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.377
_refine_diff_density_min     -0.419
_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
    '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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    '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'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SAINT'
_computing_data_reduction     'SAINT (Siemens, 1996)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997a)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997a)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material     'SHELXTL'
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 0.37198(4) -0.03691(3) 0.10030(3) 0.02852(18) Uani d . 1 . .
    N N1 0.2099(2) -0.0191(2) 0.0636(2) 0.0365(8) Uani d . 1 . .
    H H1A 0.1899 0.0039 0.1199 0.044 Uiso calc R 1 . .
    N N2 0.3607(3) -0.1539(2) 0.1899(2) 0.0413(8) Uani d . 1 . .
    H H2 0.3468 -0.1324 0.2494 0.050 Uiso calc R 1 . .
    N N3 0.1190(4) 0.0417(2) 0.3003(4) 0.0600(11) Uani d . 1 . .
    O O1 0.3925(2) 0.07990(17) 0.01759(18) 0.0315(6) Uani d D 1 . .
    H H1 0.403(6) 0.076(6) -0.037(4) 0.047 Uiso d PD 0.54(6) A 1
    O O2 0.4809(2) 0.24637(17) 0.0531(2) 0.0507(8) Uani d . 1 . .
    O O3 0.5332(2) -0.04780(17) 0.13067(18) 0.0322(6) Uani d D 1 . .
    H H3 0.554(7) -0.065(6) 0.083(6) 0.048 Uiso d PD 0.46(6) A 2
    O O4 0.7018(2) 0.0476(2) 0.2194(2) 0.0516(8) Uani d . 1 . .
    O O5 0.0840(4) 0.0548(3) 0.2110(4) 0.1157(17) Uani d . 1 . .
    O O6 0.2146(3) 0.0248(3) 0.3264(3) 0.0905(13) Uani d . 1 . .
    O O7 0.0662(4) 0.0489(3) 0.3645(3) 0.1052(15) Uani d . 1 . .
    O O8 0.3724(2) 0.04307(17) 0.22745(19) 0.0432(7) Uani d . 1 . .
    H H8 0.3219 0.0440 0.2557 0.065 Uiso d R 1 . .
    O O9 0.3699(3) -0.1168(2) -0.0284(2) 0.0361(7) Uani d . 1 . .
    H H22 0.423(4) -0.144(3) -0.028(3) 0.059(17) Uiso d . 1 . .
    H H23 0.359(4) -0.091(3) -0.082(4) 0.072(19) Uiso d . 1 . .
    C C1 0.1782(3) 0.0504(3) -0.0171(3) 0.0432(10) Uani d . 1 . .
    H H1B 0.1026 0.0549 -0.0317 0.052 Uiso calc R 1 . .
    H H1C 0.2008 0.0299 -0.0781 0.052 Uiso calc R 1 . .
    C C2 0.2234(3) 0.1438(3) 0.0114(3) 0.0366(9) Uani d . 1 . .
    C C3 0.3308(3) 0.1546(2) 0.0227(3) 0.0311(9) Uani d . 1 . .
    C C4 0.3742(3) 0.2423(2) 0.0449(3) 0.0363(9) Uani d . 1 . .
    C C5 0.3125(3) 0.3168(3) 0.0589(3) 0.0440(10) Uani d . 1 . .
    H H5A 0.3421 0.3748 0.0740 0.053 Uiso calc R 1 . .
    C C6 0.2061(4) 0.3040(3) 0.0503(3) 0.0512(12) Uani d . 1 . .
    H H6A 0.1640 0.3536 0.0610 0.061 Uiso calc R 1 . .
    C C7 0.1617(3) 0.2190(3) 0.0261(3) 0.0501(11) Uani d . 1 . .
    H H7 0.0898 0.2116 0.0195 0.060 Uiso calc R 1 . .
    C C8 0.5322(4) 0.3320(3) 0.0840(5) 0.094(2) Uani d . 1 . .
    H H8A 0.5127 0.3774 0.0320 0.141 Uiso calc R 1 . .
    H H8B 0.6065 0.3231 0.0958 0.141 Uiso calc R 1 . .
    H H8C 0.5117 0.3529 0.1450 0.141 Uiso calc R 1 . .
    C C9 0.4610(3) -0.2066(3) 0.2158(3) 0.0497(11) Uani d . 1 . .
    H H9A 0.4504 -0.2594 0.2571 0.060 Uiso calc R 1 . .
    H H9B 0.4796 -0.2299 0.1540 0.060 Uiso calc R 1 . .
    C C10 0.5491(3) -0.1504(3) 0.2707(3) 0.0453(11) Uani d . 1 . .
    C C11 0.5855(3) -0.0749(3) 0.2235(3) 0.0351(9) Uani d . 1 . .
    C C12 0.6712(3) -0.0250(3) 0.2726(3) 0.0406(10) Uani d . 1 . .
    C C13 0.7201(4) -0.0487(3) 0.3692(3) 0.0562(13) Uani d . 1 . .
    H H13 0.7779 -0.0155 0.4017 0.067 Uiso calc R 1 . .
    C C14 0.6827(4) -0.1212(4) 0.4165(3) 0.0655(14) Uani d . 1 . .
    H H14 0.7144 -0.1363 0.4822 0.079 Uiso calc R 1 . .
    C C15 0.5990(4) -0.1725(3) 0.3687(3) 0.0596(13) Uani d . 1 . .
    H H15 0.5754 -0.2223 0.4019 0.071 Uiso calc R 1 . .
    C C16 0.7849(4) 0.1057(4) 0.2681(4) 0.0861(18) Uani d . 1 . .
    H H16A 0.7662 0.1327 0.3273 0.129 Uiso calc R 1 . .
    H H16B 0.7969 0.1539 0.2226 0.129 Uiso calc R 1 . .
    H H16C 0.8473 0.0695 0.2870 0.129 Uiso calc R 1 . .
    C C17 0.1519(3) -0.1061(3) 0.0395(3) 0.0509(11) Uani d . 1 . .
    H H17A 0.1741 -0.1351 -0.0179 0.061 Uiso calc R 1 . .
    H H17B 0.0779 -0.0924 0.0204 0.061 Uiso calc R 1 . .
    C C18 0.1683(4) -0.1729(3) 0.1268(4) 0.0594(13) Uani d . 1 . .
    H H18A 0.1154 -0.2208 0.1131 0.071 Uiso calc R 1 . .
    H H18B 0.1575 -0.1401 0.1868 0.071 Uiso calc R 1 . .
    C C19 0.2744(4) -0.2187(3) 0.1493(4) 0.0585(13) Uani d . 1 . .
    H H19A 0.2729 -0.2680 0.1979 0.070 Uiso calc R 1 . .
    H H19B 0.2886 -0.2465 0.0878 0.070 Uiso calc R 1 . .
    C C20 0.4450(3) 0.1113(3) 0.2699(3) 0.0531(12) Uani d . 1 . .
    H H20A 0.4124 0.1717 0.2598 0.064 Uiso calc R 1 . .
    H H20B 0.5040 0.1106 0.2355 0.064 Uiso calc R 1 . .
    C C21 0.4819(4) 0.0961(4) 0.3771(4) 0.0877(18) Uani d . 1 . .
    H H21A 0.4246 0.1026 0.4122 0.132 Uiso calc R 1 . .
    H H21B 0.5349 0.1407 0.4023 0.132 Uiso calc R 1 . .
    H H21C 0.5105 0.0349 0.3876 0.132 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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 O8 . 2.067(2) y
    Ni1 O1 . 2.069(2) y
    Ni1 O3 . 2.070(3) y
    Ni1 O9 . 2.080(3) y
    Ni1 N1 . 2.093(3) y
    Ni1 N2 . 2.100(3) y
    N1 C17 . 1.473(5) ?
    N1 C1 . 1.482(5) ?
    N1 H1A . 0.9100 ?
    N2 C19 . 1.487(5) ?
    N2 C9 . 1.496(5) ?
    N2 H2 . 0.9100 ?
    N3 O7 . 1.208(5) ?
    N3 O5 . 1.220(5) ?
    N3 O6 . 1.254(6) ?
    O1 C3 . 1.356(4) ?
    O1 H1 . 0.78(5) ?
    O2 C4 . 1.376(5) ?
    O2 C8 . 1.431(5) ?
    O3 C11 . 1.366(4) ?
    O3 H3 . 0.78(5) ?
    O4 C12 . 1.373(5) ?
    O4 C16 . 1.428(5) ?
    O8 C20 . 1.411(5) ?
    O8 H8 . 0.8200 ?
    O9 H22 . 0.80(5) ?
    O9 H23 . 0.80(5) ?
    C1 C2 . 1.495(5) ?
    C1 H1B . 0.9700 ?
    C1 H1C . 0.9700 ?
    C2 C7 . 1.387(5) ?
    C2 C3 . 1.389(5) ?
    C3 C4 . 1.397(5) ?
    C4 C5 . 1.377(5) ?
    C5 C6 . 1.383(6) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.372(6) ?
    C6 H6A . 0.9300 ?
    C7 H7 . 0.9300 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 C10 . 1.486(6) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C11 . 1.390(5) ?
    C10 C15 . 1.396(6) ?
    C11 C12 . 1.389(6) ?
    C12 C13 . 1.382(5) ?
    C13 C14 . 1.364(7) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.376(7) ?
    C14 H14 . 0.9300 ?
    C15 H15 . 0.9300 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17 C18 . 1.507(6) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 C19 . 1.513(6) ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 C21 . 1.452(6) ?
    C20 H20A . 0.9700 ?
    C20 H20B . 0.9700 ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
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
    O8 Ni1 O1 . . 90.57(10) ?
    O8 Ni1 O3 . . 91.90(10) ?
    O1 Ni1 O3 . . 86.56(10) ?
    O8 Ni1 O9 . . 179.35(13) ?
    O1 Ni1 O9 . . 89.22(12) ?
    O3 Ni1 O9 . . 88.70(11) ?
    O8 Ni1 N1 . . 88.47(11) ?
    O1 Ni1 N1 . . 89.91(11) ?
    O3 Ni1 N1 . . 176.46(11) ?
    O9 Ni1 N1 . . 90.92(12) ?
    O8 Ni1 N2 . . 87.89(11) ?
    O1 Ni1 N2 . . 176.31(12) ?
    O3 Ni1 N2 . . 90.14(12) ?
    O9 Ni1 N2 . . 92.36(13) ?
    N1 Ni1 N2 . . 93.40(12) ?
    C17 N1 C1 . . 110.8(3) ?
    C17 N1 Ni1 . . 113.6(2) ?
    C1 N1 Ni1 . . 112.8(2) ?
    C17 N1 H1A . . 106.3 ?
    C1 N1 H1A . . 106.3 ?
    Ni1 N1 H1A . . 106.3 ?
    C19 N2 C9 . . 109.4(3) ?
    C19 N2 Ni1 . . 115.2(3) ?
    C9 N2 Ni1 . . 113.1(2) ?
    C19 N2 H2 . . 106.1 ?
    C9 N2 H2 . . 106.1 ?
    Ni1 N2 H2 . . 106.1 ?
    O7 N3 O5 . . 122.5(6) ?
    O7 N3 O6 . . 119.0(5) ?
    O5 N3 O6 . . 118.4(5) ?
    C3 O1 Ni1 . . 119.1(2) ?
    C3 O1 H1 . . 108(6) ?
    Ni1 O1 H1 . . 121(6) ?
    C4 O2 C8 . . 118.0(3) ?
    C11 O3 Ni1 . . 121.1(2) ?
    C11 O3 H3 . . 118(7) ?
    Ni1 O3 H3 . . 111(7) ?
    C12 O4 C16 . . 118.6(3) ?
    C20 O8 Ni1 . . 128.7(2) ?
    C20 O8 H8 . . 109.6 ?
    Ni1 O8 H8 . . 121.1 ?
    Ni1 O9 H22 . . 113(3) ?
    Ni1 O9 H23 . . 117(4) ?
    H22 O9 H23 . . 105(5) ?
    N1 C1 C2 . . 112.4(3) ?
    N1 C1 H1B . . 109.1 ?
    C2 C1 H1B . . 109.1 ?
    N1 C1 H1C . . 109.1 ?
    C2 C1 H1C . . 109.1 ?
    H1B C1 H1C . . 107.9 ?
    C7 C2 C3 . . 119.7(4) ?
    C7 C2 C1 . . 122.2(4) ?
    C3 C2 C1 . . 118.1(3) ?
    O1 C3 C2 . . 120.0(3) ?
    O1 C3 C4 . . 120.9(3) ?
    C2 C3 C4 . . 119.0(3) ?
    O2 C4 C5 . . 124.2(4) ?
    O2 C4 C3 . . 114.7(3) ?
    C5 C4 C3 . . 121.1(4) ?
    C4 C5 C6 . . 119.0(4) ?
    C4 C5 H5A . . 120.5 ?
    C6 C5 H5A . . 120.5 ?
    C7 C6 C5 . . 120.8(4) ?
    C7 C6 H6A . . 119.6 ?
    C5 C6 H6A . . 119.6 ?
    C6 C7 C2 . . 120.4(4) ?
    C6 C7 H7 . . 119.8 ?
    C2 C7 H7 . . 119.8 ?
    O2 C8 H8A . . 109.5 ?
    O2 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    O2 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C10 C9 N2 . . 113.4(3) ?
    C10 C9 H9A . . 108.9 ?
    N2 C9 H9A . . 108.9 ?
    C10 C9 H9B . . 108.9 ?
    N2 C9 H9B . . 108.9 ?
    H9A C9 H9B . . 107.7 ?
    C11 C10 C15 . . 118.3(4) ?
    C11 C10 C9 . . 119.9(4) ?
    C15 C10 C9 . . 121.7(4) ?
    O3 C11 C12 . . 120.4(3) ?
    O3 C11 C10 . . 119.4(4) ?
    C12 C11 C10 . . 120.2(4) ?
    O4 C12 C13 . . 123.7(4) ?
    O4 C12 C11 . . 115.8(3) ?
    C13 C12 C11 . . 120.6(4) ?
    C14 C13 C12 . . 119.3(5) ?
    C14 C13 H13 . . 120.4 ?
    C12 C13 H13 . . 120.4 ?
    C13 C14 C15 . . 121.1(4) ?
    C13 C14 H14 . . 119.5 ?
    C15 C14 H14 . . 119.5 ?
    C14 C15 C10 . . 120.6(4) ?
    C14 C15 H15 . . 119.7 ?
    C10 C15 H15 . . 119.7 ?
    O4 C16 H16A . . 109.5 ?
    O4 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    O4 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N1 C17 C18 . . 112.5(3) ?
    N1 C17 H17A . . 109.1 ?
    C18 C17 H17A . . 109.1 ?
    N1 C17 H17B . . 109.1 ?
    C18 C17 H17B . . 109.1 ?
    H17A C17 H17B . . 107.8 ?
    C17 C18 C19 . . 115.3(4) ?
    C17 C18 H18A . . 108.4 ?
    C19 C18 H18A . . 108.4 ?
    C17 C18 H18B . . 108.4 ?
    C19 C18 H18B . . 108.4 ?
    H18A C18 H18B . . 107.5 ?
    N2 C19 C18 . . 113.5(3) ?
    N2 C19 H19A . . 108.9 ?
    C18 C19 H19A . . 108.9 ?
    N2 C19 H19B . . 108.9 ?
    C18 C19 H19B . . 108.9 ?
    H19A C19 H19B . . 107.7 ?
    O8 C20 C21 . . 111.7(4) ?
    O8 C20 H20A . . 109.3 ?
    C21 C20 H20A . . 109.3 ?
    O8 C20 H20B . . 109.3 ?
    C21 C20 H20B . . 109.3 ?
    H20A C20 H20B . . 107.9 ?
    C20 C21 H21A . . 109.5 ?
    C20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
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
    O8 Ni1 N1 C17 . . . . -130.4(3) ?
    O1 Ni1 N1 C17 . . . . 139.0(3) ?
    O9 Ni1 N1 C17 . . . . 49.8(3) ?
    N2 Ni1 N1 C17 . . . . -42.6(3) ?
    O8 Ni1 N1 C1 . . . . 102.4(2) ?
    O1 Ni1 N1 C1 . . . . 11.8(2) ?
    O9 Ni1 N1 C1 . . . . -77.4(2) ?
    N2 Ni1 N1 C1 . . . . -169.8(2) ?
    O8 Ni1 N2 C19 . . . . 128.1(3) ?
    O3 Ni1 N2 C19 . . . . -140.0(3) ?
    O9 Ni1 N2 C19 . . . . -51.3(3) ?
    N1 Ni1 N2 C19 . . . . 39.7(3) ?
    O8 Ni1 N2 C9 . . . . -105.0(3) ?
    O3 Ni1 N2 C9 . . . . -13.2(3) ?
    O9 Ni1 N2 C9 . . . . 75.5(3) ?
    N1 Ni1 N2 C9 . . . . 166.6(3) ?
    O8 Ni1 O1 C3 . . . . -48.2(3) ?
    O3 Ni1 O1 C3 . . . . -140.0(3) ?
    O9 Ni1 O1 C3 . . . . 131.2(3) ?
    N1 Ni1 O1 C3 . . . . 40.3(3) ?
    O8 Ni1 O3 C11 . . . . 50.9(3) ?
    O1 Ni1 O3 C11 . . . . 141.3(3) ?
    O9 Ni1 O3 C11 . . . . -129.4(3) ?
    N2 Ni1 O3 C11 . . . . -37.0(3) ?
    O1 Ni1 O8 C20 . . . . -49.9(3) ?
    O3 Ni1 O8 C20 . . . . 36.6(3) ?
    N1 Ni1 O8 C20 . . . . -139.8(3) ?
    N2 Ni1 O8 C20 . . . . 126.7(3) ?
    C17 N1 C1 C2 . . . . 171.5(3) ?
    Ni1 N1 C1 C2 . . . . -59.8(4) ?
    N1 C1 C2 C7 . . . . -113.5(4) ?
    N1 C1 C2 C3 . . . . 66.9(5) ?
    Ni1 O1 C3 C2 . . . . -48.2(4) ?
    Ni1 O1 C3 C4 . . . . 128.2(3) ?
    C7 C2 C3 O1 . . . . 174.0(3) ?
    C1 C2 C3 O1 . . . . -6.4(5) ?
    C7 C2 C3 C4 . . . . -2.4(5) ?
    C1 C2 C3 C4 . . . . 177.2(3) ?
    C8 O2 C4 C5 . . . . 3.9(6) ?
    C8 O2 C4 C3 . . . . -174.9(4) ?
    O1 C3 C4 O2 . . . . 4.6(5) ?
    C2 C3 C4 O2 . . . . -179.0(3) ?
    O1 C3 C4 C5 . . . . -174.2(3) ?
    C2 C3 C4 C5 . . . . 2.2(6) ?
    O2 C4 C5 C6 . . . . -179.0(4) ?
    C3 C4 C5 C6 . . . . -0.3(6) ?
    C4 C5 C6 C7 . . . . -1.3(6) ?
    C5 C6 C7 C2 . . . . 1.0(6) ?
    C3 C2 C7 C6 . . . . 0.9(6) ?
    C1 C2 C7 C6 . . . . -178.7(4) ?
    C19 N2 C9 C10 . . . . -171.6(3) ?
    Ni1 N2 C9 C10 . . . . 58.5(4) ?
    N2 C9 C10 C11 . . . . -64.1(5) ?
    N2 C9 C10 C15 . . . . 117.5(4) ?
    Ni1 O3 C11 C12 . . . . -131.5(3) ?
    Ni1 O3 C11 C10 . . . . 45.4(4) ?
    C15 C10 C11 O3 . . . . -175.1(4) ?
    C9 C10 C11 O3 . . . . 6.4(5) ?
    C15 C10 C11 C12 . . . . 1.7(6) ?
    C9 C10 C11 C12 . . . . -176.8(4) ?
    C16 O4 C12 C13 . . . . -3.7(6) ?
    C16 O4 C12 C11 . . . . 175.7(4) ?
    O3 C11 C12 O4 . . . . -3.8(5) ?
    C10 C11 C12 O4 . . . . 179.4(3) ?
    O3 C11 C12 C13 . . . . 175.7(3) ?
    C10 C11 C12 C13 . . . . -1.1(6) ?
    O4 C12 C13 C14 . . . . 178.9(4) ?
    C11 C12 C13 C14 . . . . -0.6(6) ?
    C12 C13 C14 C15 . . . . 1.6(7) ?
    C13 C14 C15 C10 . . . . -1.0(7) ?
    C11 C10 C15 C14 . . . . -0.7(7) ?
    C9 C10 C15 C14 . . . . 177.7(4) ?
    C1 N1 C17 C18 . . . . -170.5(3) ?
    Ni1 N1 C17 C18 . . . . 61.3(4) ?
    N1 C17 C18 C19 . . . . -72.8(5) ?
    C9 N2 C19 C18 . . . . 176.4(4) ?
    Ni1 N2 C19 C18 . . . . -54.8(4) ?
    C17 C18 C19 N2 . . . . 68.8(5) ?
    Ni1 O8 C20 C21 . . . . -129.2(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
    N1 H1A O5 . 0.91 2.14 3.001(5) 156.8
    O8 H8 O6 . 0.82 1.85 2.665(5) 169.7
    O3 H3 O1 3_655 0.78(5) 1.65(5) 2.423(3) 169(10)
    O1 H1 O3 3_655 0.78(5) 1.68(5) 2.423(3) 158(9)
    O9 H22 O1 3_655 0.80(5) 2.55(5) 3.118(4) 129(4)
    O9 H22 O2 3_655 0.80(5) 2.00(5) 2.764(4) 159(4)
    O9 H23 O4 3_655 0.80(5) 1.98(5) 2.758(4) 165(5)
    O9 H23 O3 3_655 0.80(5) 2.61(5) 3.132(4) 125(4)
data_global
_journal_date_recd_electronic     2006-11-26
_journal_date_accepted     2007-03-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      4
_journal_page_first     m1162
_journal_page_last     m1164
_journal_paper_category     EM
_journal_coeditor_code     SA2030
_publ_contact_author_name     'H-T Xia'
_publ_contact_author_address
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
P. R. China
;
_publ_contact_author_email     xht161006@hhit.edu.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     '13812345496'
_publ_section_title
;\
Aqua(6-methoxy-2-{[3-(3-methoxy-2-oxidobenzylamino)propylamino]methyl}\
phenolato)ethanolnickel(II) nitrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Xia, H.-T.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
    'Liu, Y.-F.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
    'Wang, D.-Q.' .
;
College of Chemistry
and Chemical Engineering
Liaocheng University
Shandong 252059
People's Republic of China
;
    'Yang, S.-P.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
