##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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                #
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##############################################################################
data_I
_audit_creation_method     SHELXTL
_chemical_name_systematic
;
bis{μ-3-[2-(dimethylamino)ethylimino]butan-2-one oximato}dinickel(II)
bis(perchlorate) acetonitrile solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H32 N6 Ni2 O2 2+, 2(Cl O4 -), C2 H3 N'
_chemical_formula_sum     'C18 H35 Cl2 N7 Ni2 O10'
_chemical_formula_iupac     '[Ni2 (C8 H16 N3 O1)2] (Cl O4)2, C2 H3 N'
_chemical_formula_weight     697.85
_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     13.1320(3)
_cell_length_b     12.2045(3)
_cell_length_c     17.2959(5)
_cell_angle_alpha     90.00
_cell_angle_beta     91.6220(14)
_cell_angle_gamma     90.00
_cell_volume     2770.89(12)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9844
_cell_measurement_theta_min     2.5962
_cell_measurement_theta_max     41.4913
_cell_measurement_temperature     100(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     'deep violet'
_exptl_crystal_size_max     0.23
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.14
_exptl_crystal_density_diffrn     1.673
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1448
_exptl_absorpt_coefficient_mu     1.615
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(TWINABS; Blessing, 1995; Sheldrick, 2004)
;
_exptl_absorpt_correction_T_min     0.7077
_exptl_absorpt_correction_T_max     0.8055
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker D8-APEXII CCD diffractometer'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     8.33
_diffrn_reflns_number     290302
_diffrn_reflns_av_R_equivalents     0.0754
_diffrn_reflns_av_sigmaI/netI     0.0252
_diffrn_reflns_theta_min     1.92
_diffrn_reflns_theta_max     31.50
_diffrn_reflns_theta_full     31.50
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -19
_diffrn_reflns_limit_h_max     19
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
This crystal was a nonmerohedral twin, refined in 2 domains. The scale factor
relating
the second domain to the first is 0.3448(8). Indexing was done with Cell_Now
(Sheldrick, G. M. (2005). University of Göttingen, Germany) and scaled with
TWINABS (Sheldrick, G. M. (2004). University of Göttingen, Germany).
Because of twinning, there are more reflections than expected in the intensity
data file.
 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     14483
_reflns_number_gt     12536
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0437
_refine_ls_R_factor_gt     0.0349
_refine_ls_wR_factor_gt     0.0894
_refine_ls_wR_factor_ref     0.0948
_refine_ls_goodness_of_fit_ref     1.056
_refine_ls_restrained_S_all     1.056
_refine_ls_number_reflns     14483
_refine_ls_number_parameters     375
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0471P)²+2.0073P] 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     0.005
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.842
_refine_diff_density_min     -0.479
_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'
    Cl Cl 0.1484 0.1585 '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     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'APEX2 and SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004) and XPREP (Sheldrick, 2003)'
_computing_structure_solution     'XS (Sheldrick, 2001)'
_computing_structure_refinement     'XL (Sheldrick, 2001)'
_computing_molecular_graphics     'XP (Sheldrick, 1998)'
_computing_publication_material
               'XCIF (Sheldrick, 2001) and enCIFer (Allen et al.,  2004)'
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 0.314793(15) 0.528113(15) 0.146451(10) 0.01178(4) Uani d . 1 . .
    Ni Ni2 0.190627(14) 0.732682(15) 0.026918(10) 0.01180(4) Uani d . 1 . .
    N N1 0.17710(10) 0.57300(10) 0.14498(6) 0.0134(2) Uani d . 1 . .
    N N2 0.26571(10) 0.41760(10) 0.20861(7) 0.0145(2) Uani d . 1 . .
    N N3 0.44934(10) 0.46613(10) 0.17170(7) 0.0138(2) Uani d . 1 . .
    N N4 0.33105(10) 0.71370(9) 0.04892(6) 0.0125(2) Uani d . 1 . .
    N N5 0.23690(10) 0.83038(10) -0.04527(7) 0.0141(2) Uani d . 1 . .
    N N6 0.05362(10) 0.76740(11) -0.01262(7) 0.0159(2) Uani d . 1 . .
    O O1 0.13318(9) 0.65820(9) 0.10779(6) 0.0171(2) Uani d . 1 . .
    O O2 0.37719(9) 0.64824(9) 0.10076(6) 0.01545(19) Uani d . 1 . .
    C C1 0.11735(12) 0.51627(11) 0.18975(8) 0.0142(2) Uani d . 1 . .
    C C2 0.17097(12) 0.42295(11) 0.22602(8) 0.0149(2) Uani d . 1 . .
    C C3 0.33902(13) 0.33598(12) 0.23874(8) 0.0175(3) Uani d . 1 . .
    H H3A 0.3100 0.2613 0.2350 0.021 Uiso calc R 1 . .
    H H3B 0.3579 0.3514 0.2935 0.021 Uiso calc R 1 . .
    C C4 0.43115(13) 0.34670(12) 0.18808(8) 0.0176(3) Uani d . 1 . .
    H H4A 0.4918 0.3147 0.2148 0.021 Uiso calc R 1 . .
    H H4B 0.4189 0.3066 0.1389 0.021 Uiso calc R 1 . .
    C C5 0.00841(12) 0.54481(13) 0.20181(9) 0.0185(3) Uani d . 1 . .
    H H5A 0.0034 0.6220 0.2167 0.028 Uiso calc R 1 . .
    H H5B -0.0185 0.4987 0.2429 0.028 Uiso calc R 1 . .
    H H5C -0.0312 0.5325 0.1537 0.028 Uiso calc R 1 . .
    C C6 0.11909(14) 0.34423(13) 0.27795(9) 0.0206(3) Uani d . 1 . .
    H H6A 0.1559 0.2744 0.2786 0.031 Uiso calc R 1 . .
    H H6B 0.0490 0.3323 0.2589 0.031 Uiso calc R 1 . .
    H H6C 0.1183 0.3743 0.3305 0.031 Uiso calc R 1 . .
    C C7 0.48936(13) 0.52391(13) 0.24228(9) 0.0197(3) Uani d . 1 . .
    H H7A 0.5536 0.4900 0.2598 0.029 Uiso calc R 1 . .
    H H7B 0.4396 0.5185 0.2833 0.029 Uiso calc R 1 . .
    H H7C 0.5011 0.6012 0.2301 0.029 Uiso calc R 1 . .
    C C8 0.52589(13) 0.47497(13) 0.11041(9) 0.0193(3) Uani d . 1 . .
    H H8A 0.5416 0.5523 0.1014 0.029 Uiso calc R 1 . .
    H H8B 0.4984 0.4422 0.0625 0.029 Uiso calc R 1 . .
    H H8C 0.5882 0.4363 0.1269 0.029 Uiso calc R 1 . .
    C C9 0.39127(11) 0.77998(11) 0.01071(8) 0.0129(2) Uani d . 1 . .
    C C10 0.33371(12) 0.84850(11) -0.04498(8) 0.0141(2) Uani d . 1 . .
    C C11 0.15946(13) 0.89131(13) -0.09018(9) 0.0198(3) Uani d . 1 . .
    H H11A 0.1822 0.9042 -0.1435 0.024 Uiso calc R 1 . .
    H H11B 0.1460 0.9630 -0.0657 0.024 Uiso calc R 1 . .
    C C12 0.06449(13) 0.82041(14) -0.09100(9) 0.0219(3) Uani d . 1 . .
    H H12A 0.0038 0.8659 -0.1034 0.026 Uiso calc R 1 . .
    H H12B 0.0695 0.7631 -0.1313 0.026 Uiso calc R 1 . .
    C C13 0.50370(12) 0.78311(12) 0.02534(8) 0.0171(3) Uani d . 1 . .
    H H13A 0.5182 0.8015 0.0797 0.026 Uiso calc R 1 . .
    H H13B 0.5339 0.8386 -0.0079 0.026 Uiso calc R 1 . .
    H H13C 0.5329 0.7112 0.0139 0.026 Uiso calc R 1 . .
    C C14 0.38431(14) 0.93132(13) -0.09506(9) 0.0219(3) Uani d . 1 . .
    H H14A 0.3421 0.9439 -0.1419 0.033 Uiso calc R 1 . .
    H H14B 0.4513 0.9039 -0.1095 0.033 Uiso calc R 1 . .
    H H14C 0.3926 1.0003 -0.0666 0.033 Uiso calc R 1 . .
    C C15 0.00375(14) 0.84296(14) 0.04152(9) 0.0228(3) Uani d . 1 . .
    H H15A -0.0644 0.8616 0.0211 0.034 Uiso calc R 1 . .
    H H15B 0.0445 0.9099 0.0473 0.034 Uiso calc R 1 . .
    H H15C -0.0018 0.8074 0.0920 0.034 Uiso calc R 1 . .
    C C16 -0.01185(14) 0.66763(14) -0.02411(10) 0.0245(3) Uani d . 1 . .
    H H16A -0.0244 0.6339 0.0262 0.037 Uiso calc R 1 . .
    H H16B 0.0230 0.6150 -0.0570 0.037 Uiso calc R 1 . .
    H H16C -0.0769 0.6888 -0.0490 0.037 Uiso calc R 1 . .
    Cl Cl1 0.25360(3) 0.09139(3) 0.09637(2) 0.01817(7) Uani d . 1 . .
    O O3 0.35602(10) 0.08956(11) 0.12973(8) 0.0269(3) Uani d . 1 . .
    O O4 0.25676(12) 0.11858(14) 0.01532(7) 0.0357(3) Uani d . 1 . .
    O O5 0.20689(13) -0.01533(12) 0.10457(8) 0.0329(3) Uani d . 1 . .
    O O6 0.19360(12) 0.17170(14) 0.13583(9) 0.0390(4) Uani d . 1 . .
    Cl Cl2 0.72907(8) 0.85138(8) 0.27801(6) 0.0208(2) Uani d P 0.859(9) A 1
    Cl Cl2' 0.7404(9) 0.8436(10) 0.2529(14) 0.060(3) Uani d P 0.141(9) A 2
    O O7 0.80798(12) 0.76884(14) 0.28286(9) 0.0377(3) Uani d . 1 . .
    O O8 0.63731(11) 0.80429(13) 0.24328(8) 0.0329(3) Uani d . 1 . .
    O O9 0.70873(13) 0.89029(13) 0.35479(9) 0.0377(3) Uani d . 1 . .
    O O10 0.7598(2) 0.9448(3) 0.2339(2) 0.0495(9) Uani d P 0.859(9) A 1
    O O10' 0.7787(14) 0.9087(18) 0.2026(13) 0.0495(9) Uani d P 0.141(9) A 2
    N N7 0.28970(15) 0.43173(16) 0.01895(10) 0.0345(4) Uani d . 1 . .
    C C17 0.26751(14) 0.39004(15) -0.03841(10) 0.0246(3) Uani d . 1 . .
    C C18 0.24276(16) 0.33569(17) -0.11159(10) 0.0296(4) Uani d . 1 . .
    H H18A 0.3026 0.2957 -0.1291 0.044 Uiso calc R 1 . .
    H H18B 0.2225 0.3906 -0.1504 0.044 Uiso calc R 1 . .
    H H18C 0.1865 0.2842 -0.1045 0.044 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 N2 . 1.8519(12) y
    Ni1 O2 . 1.8660(10) y
    Ni1 N1 . 1.8888(13) y
    Ni1 N3 . 1.9598(13) y
    Ni2 N5 . 1.8420(12) y
    Ni2 O1 . 1.8471(10) y
    Ni2 N4 . 1.8866(13) y
    Ni2 N6 . 1.9531(14) y
    N1 C1 . 1.3150(18) ?
    N1 O1 . 1.3441(15) ?
    N2 C2 . 1.290(2) ?
    N2 C3 . 1.470(2) ?
    N3 C8 . 1.4854(19) ?
    N3 C7 . 1.4924(19) ?
    N3 C4 . 1.5052(19) ?
    N4 C9 . 1.3213(17) ?
    N4 O2 . 1.3337(15) ?
    N5 C10 . 1.290(2) ?
    N5 C11 . 1.4648(19) ?
    N6 C15 . 1.480(2) ?
    N6 C16 . 1.501(2) ?
    N6 C12 . 1.5125(19) ?
    C1 C2 . 1.470(2) ?
    C1 C5 . 1.493(2) ?
    C2 C6 . 1.4929(19) ?
    C3 C4 . 1.519(2) ?
    C3 H3A . 0.9900 ?
    C3 H3B . 0.9900 ?
    C4 H4A . 0.9900 ?
    C4 H4B . 0.9900 ?
    C5 H5A . 0.9800 ?
    C5 H5B . 0.9800 ?
    C5 H5C . 0.9800 ?
    C6 H6A . 0.9800 ?
    C6 H6B . 0.9800 ?
    C6 H6C . 0.9800 ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 H8A . 0.9800 ?
    C8 H8B . 0.9800 ?
    C8 H8C . 0.9800 ?
    C9 C10 . 1.469(2) ?
    C9 C13 . 1.491(2) ?
    C10 C14 . 1.499(2) ?
    C11 C12 . 1.518(2) ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    C12 H12A . 0.9900 ?
    C12 H12B . 0.9900 ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C13 H13C . 0.9800 ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C14 H14C . 0.9800 ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C16 H16C . 0.9800 ?
    Cl1 O6 . 1.4414(14) ?
    Cl1 O4 . 1.4423(13) ?
    Cl1 O5 . 1.4483(14) ?
    Cl1 O3 . 1.4487(14) ?
    Cl2 O10 . 1.436(2) ?
    Cl2 O9 . 1.4425(18) ?
    Cl2 O7 . 1.4459(18) ?
    Cl2 O8 . 1.4499(17) ?
    Cl2' O10' . 1.289(17) ?
    Cl2' O7 . 1.366(9) ?
    Cl2' O8 . 1.441(9) ?
    Cl2' O9 . 1.91(3) ?
    N7 C17 . 1.145(2) ?
    C17 C18 . 1.458(2) ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
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
    N2 Ni1 O2 . . 169.20(5) y
    N2 Ni1 N1 . . 82.55(6) y
    O2 Ni1 N1 . . 101.43(5) y
    N2 Ni1 N3 . . 85.17(6) y
    O2 Ni1 N3 . . 89.64(5) y
    N1 Ni1 N3 . . 166.31(5) y
    N5 Ni2 O1 . . 168.98(5) y
    N5 Ni2 N4 . . 82.93(5) y
    O1 Ni2 N4 . . 101.81(5) y
    N5 Ni2 N6 . . 86.59(6) y
    O1 Ni2 N6 . . 88.85(5) y
    N4 Ni2 N6 . . 169.34(5) y
    C1 N1 O1 . . 115.72(12) ?
    C1 N1 Ni1 . . 115.23(10) ?
    O1 N1 Ni1 . . 128.94(9) ?
    C2 N2 C3 . . 125.28(12) ?
    C2 N2 Ni1 . . 116.90(10) ?
    C3 N2 Ni1 . . 117.65(10) ?
    C8 N3 C7 . . 108.64(12) ?
    C8 N3 C4 . . 108.60(11) ?
    C7 N3 C4 . . 110.96(11) ?
    C8 N3 Ni1 . . 115.91(9) ?
    C7 N3 Ni1 . . 107.11(9) ?
    C4 N3 Ni1 . . 105.60(10) ?
    C9 N4 O2 . . 115.85(12) ?
    C9 N4 Ni2 . . 114.80(10) ?
    O2 N4 Ni2 . . 129.20(9) ?
    C10 N5 C11 . . 125.75(12) ?
    C10 N5 Ni2 . . 116.89(10) ?
    C11 N5 Ni2 . . 116.78(10) ?
    C15 N6 C16 . . 109.11(13) ?
    C15 N6 C12 . . 110.81(12) ?
    C16 N6 C12 . . 107.25(12) ?
    C15 N6 Ni2 . . 109.48(10) ?
    C16 N6 Ni2 . . 112.89(10) ?
    C12 N6 Ni2 . . 107.29(10) ?
    N1 O1 Ni2 . . 124.34(9) ?
    N4 O2 Ni1 . . 123.97(9) ?
    N1 C1 C2 . . 111.87(13) ?
    N1 C1 C5 . . 123.34(13) ?
    C2 C1 C5 . . 124.79(12) ?
    N2 C2 C1 . . 113.15(12) ?
    N2 C2 C6 . . 124.57(14) ?
    C1 C2 C6 . . 122.28(14) ?
    N2 C3 C4 . . 105.14(11) ?
    N2 C3 H3A . . 110.7 ?
    C4 C3 H3A . . 110.7 ?
    N2 C3 H3B . . 110.7 ?
    C4 C3 H3B . . 110.7 ?
    H3A C3 H3B . . 108.8 ?
    N3 C4 C3 . . 108.97(12) ?
    N3 C4 H4A . . 109.9 ?
    C3 C4 H4A . . 109.9 ?
    N3 C4 H4B . . 109.9 ?
    C3 C4 H4B . . 109.9 ?
    H4A C4 H4B . . 108.3 ?
    C1 C5 H5A . . 109.5 ?
    C1 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C1 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    C2 C6 H6A . . 109.5 ?
    C2 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    C2 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    N3 C7 H7A . . 109.5 ?
    N3 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    N3 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N3 C8 H8A . . 109.5 ?
    N3 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    N3 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    N4 C9 C10 . . 111.86(13) ?
    N4 C9 C13 . . 122.31(13) ?
    C10 C9 C13 . . 125.82(12) ?
    N5 C10 C9 . . 113.18(12) ?
    N5 C10 C14 . . 124.49(13) ?
    C9 C10 C14 . . 122.32(14) ?
    N5 C11 C12 . . 105.87(12) ?
    N5 C11 H11A . . 110.6 ?
    C12 C11 H11A . . 110.6 ?
    N5 C11 H11B . . 110.6 ?
    C12 C11 H11B . . 110.6 ?
    H11A C11 H11B . . 108.7 ?
    N6 C12 C11 . . 109.50(13) ?
    N6 C12 H12A . . 109.8 ?
    C11 C12 H12A . . 109.8 ?
    N6 C12 H12B . . 109.8 ?
    C11 C12 H12B . . 109.8 ?
    H12A C12 H12B . . 108.2 ?
    C9 C13 H13A . . 109.5 ?
    C9 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C9 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C10 C14 H14A . . 109.5 ?
    C10 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C10 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    N6 C15 H15A . . 109.5 ?
    N6 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    N6 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    N6 C16 H16A . . 109.5 ?
    N6 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    N6 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    O6 Cl1 O4 . . 109.57(10) ?
    O6 Cl1 O5 . . 109.06(10) ?
    O4 Cl1 O5 . . 109.02(9) ?
    O6 Cl1 O3 . . 109.61(9) ?
    O4 Cl1 O3 . . 109.80(9) ?
    O5 Cl1 O3 . . 109.76(9) ?
    O10 Cl2 O9 . . 106.9(2) ?
    O10 Cl2 O7 . . 111.85(16) ?
    O9 Cl2 O7 . . 109.08(11) ?
    O10 Cl2 O8 . . 109.72(13) ?
    O9 Cl2 O8 . . 109.79(11) ?
    O7 Cl2 O8 . . 109.50(11) ?
    O10' Cl2' O7 . . 114.0(11) ?
    O10' Cl2' O8 . . 120.7(13) ?
    O7 Cl2' O8 . . 114.8(7) ?
    O10' Cl2' O9 . . 122.5(11) ?
    O7 Cl2' O9 . . 90.3(11) ?
    O8 Cl2' O9 . . 88.7(11) ?
    N7 C17 C18 . . 178.1(2) ?
    C17 C18 H18A . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C17 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
data_II
_audit_creation_method     SHELXTL
_chemical_name_systematic
;
bis{μ-3-[2-(dimethylamino)ethylimino]-1-phenylpropan-2-one oximato}dinickel(II)
bis(perchlorate)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C26 H36 N6 Ni2 O2 2+, 2(Cl O4 -)'
_chemical_formula_sum     'C26 H36 Cl2 N6 Ni2 O10'
_chemical_formula_iupac     '[Ni2 (C13 H18 N3 O1)2] (Cl O4)2'
_chemical_formula_weight     780.93
_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     12.5432(5)
_cell_length_b     8.9714(4)
_cell_length_c     13.7277(5)
_cell_angle_alpha     90.00
_cell_angle_beta     93.745(2)
_cell_angle_gamma     90.00
_cell_volume     1541.48(11)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     8729
_cell_measurement_theta_min     2.9741
_cell_measurement_theta_max     46.8820
_cell_measurement_temperature     100(2)
_exptl_crystal_description     parallelepiped
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.44
_exptl_crystal_size_min     0.32
_exptl_crystal_density_diffrn     1.682
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     808
_exptl_absorpt_coefficient_mu     1.461
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Blessing, 1995; Sheldrick, 2004)
;
_exptl_absorpt_correction_T_min     0.54
_exptl_absorpt_correction_T_max     0.63
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker D8-APEXII CCD diffratometer'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     8.33
_diffrn_reflns_number     124421
_diffrn_reflns_av_R_equivalents     0.0266
_diffrn_reflns_av_sigmaI/netI     0.0165
_diffrn_reflns_theta_min     2.13
_diffrn_reflns_theta_max     47.26
_diffrn_reflns_theta_full     47.26
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -25
_diffrn_reflns_limit_h_max     25
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     28
_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 > 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     14182
_reflns_number_gt     12434
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0291
_refine_ls_R_factor_gt     0.0229
_refine_ls_wR_factor_gt     0.0599
_refine_ls_wR_factor_ref     0.0628
_refine_ls_goodness_of_fit_ref     1.028
_refine_ls_restrained_S_all     1.028
_refine_ls_number_reflns     14182
_refine_ls_number_parameters     211
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0309P)²+0.3420P] 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     0.006
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.714
_refine_diff_density_min     -0.807
_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'
    Cl Cl 0.1484 0.1585 '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     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'APEX2 and SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004) and XPREP (Sheldrick, 2003)'
_computing_structure_solution     'XS (Sheldrick, 2001)'
_computing_structure_refinement     'XL (Sheldrick, 2001)'
_computing_molecular_graphics     'XP (Sheldrick, 1998)'
_computing_publication_material
               'XCIF (Sheldrick, 2001) and enCIFer (Allen et al.,  2004)'
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 0.358320(4) -0.043197(7) 1.006326(4) 0.008090(10)
                                                           Uani d . 1 . .
    N N1 0.42907(3) 0.05552(5) 0.90814(3) 0.01025(5) Uani d . 1 . .
    N N2 0.23885(3) -0.00347(5) 0.92501(3) 0.00943(5) Uani d . 1 . .
    N N3 0.26006(3) -0.13805(4) 1.09096(3) 0.00914(5) Uani d . 1 . .
    O O1 0.53194(3) 0.08673(5) 0.90320(3) 0.01458(6) Uani d . 1 . .
    C C1 0.36720(3) 0.09945(5) 0.83270(3) 0.01062(6) Uani d . 1 . .
    C C2 0.25455(3) 0.06414(5) 0.84395(3) 0.00973(6) Uani d . 1 . .
    C C3 0.13600(3) -0.05421(5) 0.95711(4) 0.01033(6) Uani d . 1 . .
    H H3A 0.0889 -0.0889 0.9009 0.012 Uiso calc R 1 . .
    H H3B 0.0995 0.0269 0.9907 0.012 Uiso calc R 1 . .
    C C4 0.16402(4) -0.18163(5) 1.02666(4) 0.01119(6) Uani d . 1 . .
    H H4A 0.1031 -0.2030 1.0669 0.013 Uiso calc R 1 . .
    H H4B 0.1796 -0.2726 0.9894 0.013 Uiso calc R 1 . .
    C C5 0.40862(4) 0.17912(7) 0.74828(4) 0.01506(8) Uani d . 1 . .
    H H5A 0.4501 0.2661 0.7716 0.023 Uiso calc R 1 . .
    H H5B 0.3486 0.2119 0.7041 0.023 Uiso calc R 1 . .
    H H5C 0.4545 0.1120 0.7133 0.023 Uiso calc R 1 . .
    C C6 0.16923(3) 0.10385(5) 0.76893(3) 0.01051(6) Uani d . 1 . .
    C C7 0.08698(4) 0.20112(6) 0.79101(4) 0.01384(7) Uani d . 1 . .
    H H7 0.0849 0.2417 0.8548 0.017 Uiso calc R 1 . .
    C C8 0.00821(4) 0.23796(7) 0.71875(5) 0.01796(9) Uani d . 1 . .
    H H8 -0.0472 0.3051 0.7331 0.022 Uiso calc R 1 . .
    C C9 0.01015(5) 0.17700(8) 0.62577(5) 0.01941(10) Uani d . 1 . .
    H H9 -0.0444 0.2012 0.5771 0.023 Uiso calc R 1 . .
    C C10 0.09229(5) 0.08030(8) 0.60400(4) 0.01837(9) Uani d . 1 . .
    H H10 0.0935 0.0386 0.5405 0.022 Uiso calc R 1 . .
    C C11 0.17252(4) 0.04461(6) 0.67508(4) 0.01449(7) Uani d . 1 . .
    H H11 0.2292 -0.0197 0.6598 0.017 Uiso calc R 1 . .
    C C12 0.30081(4) -0.27151(6) 1.14514(4) 0.01414(7) Uani d . 1 . .
    H H12A 0.3599 -0.2426 1.1915 0.021 Uiso calc R 1 . .
    H H12B 0.3261 -0.3448 1.0990 0.021 Uiso calc R 1 . .
    H H12C 0.2433 -0.3153 1.1807 0.021 Uiso calc R 1 . .
    C C13 0.23181(4) -0.02382(6) 1.16328(4) 0.01378(7) Uani d . 1 . .
    H H13A 0.1762 -0.0633 1.2031 0.021 Uiso calc R 1 . .
    H H13B 0.2052 0.0659 1.1289 0.021 Uiso calc R 1 . .
    H H13C 0.2953 0.0013 1.2055 0.021 Uiso calc R 1 . .
    Cl Cl1 0.142557(9) 0.386799(13) 0.063931(9) 0.01254(2) Uani d . 1 . .
    O O2 0.14788(6) 0.45258(6) -0.03107(4) 0.02955(13) Uani d . 1 . .
    O O3 0.24755(4) 0.33887(7) 0.10036(6) 0.03133(13) Uani d . 1 . .
    O O4 0.10295(4) 0.49481(5) 0.13006(4) 0.01838(7) Uani d . 1 . .
    O O5 0.07149(4) 0.25969(5) 0.05740(4) 0.01922(8) Uani d . 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 O1 3_657 1.8348(4) y
    Ni1 N2 . 1.8439(4) y
    Ni1 N1 . 1.8827(4) y
    Ni1 N3 . 1.9442(4) y
    N1 C1 . 1.3135(6) ?
    N1 O1 . 1.3264(5) ?
    N2 C2 . 1.2936(6) ?
    N2 C3 . 1.4629(6) ?
    N3 C12 . 1.4827(6) ?
    N3 C13 . 1.4857(6) ?
    N3 C4 . 1.4982(6) ?
    O1 Ni1 3_657 1.8348(4) ?
    C1 C2 . 1.4661(6) ?
    C1 C5 . 1.4841(7) ?
    C2 C6 . 1.4795(6) ?
    C3 C4 . 1.5160(7) ?
    C3 H3A . 0.9900 ?
    C3 H3B . 0.9900 ?
    C4 H4A . 0.9900 ?
    C4 H4B . 0.9900 ?
    C5 H5A . 0.9800 ?
    C5 H5B . 0.9800 ?
    C5 H5C . 0.9800 ?
    C6 C11 . 1.3968(7) ?
    C6 C7 . 1.3995(7) ?
    C7 C8 . 1.3934(8) ?
    C7 H7 . 0.9500 ?
    C8 C9 . 1.3902(10) ?
    C8 H8 . 0.9500 ?
    C9 C10 . 1.3942(10) ?
    C9 H9 . 0.9500 ?
    C10 C11 . 1.3925(8) ?
    C10 H10 . 0.9500 ?
    C11 H11 . 0.9500 ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C13 H13C . 0.9800 ?
    Cl1 O2 . 1.4370(6) ?
    Cl1 O4 . 1.4384(5) ?
    Cl1 O3 . 1.4433(6) ?
    Cl1 O5 . 1.4466(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
    _geom_angle_publ_flag
    O1 Ni1 N2 3_657 . 174.274(17) y
    O1 Ni1 N1 3_657 . 102.525(17) y
    N2 Ni1 N1 . . 82.999(17) y
    O1 Ni1 N3 3_657 . 88.804(17) y
    N2 Ni1 N3 . . 85.674(17) y
    N1 Ni1 N3 . . 168.671(17) y
    C1 N1 O1 . . 115.02(4) ?
    C1 N1 Ni1 . . 115.08(3) ?
    O1 N1 Ni1 . . 129.90(3) ?
    C2 N2 C3 . . 126.28(4) ?
    C2 N2 Ni1 . . 116.62(3) ?
    C3 N2 Ni1 . . 117.09(3) ?
    C12 N3 C13 . . 108.14(4) ?
    C12 N3 C4 . . 108.80(4) ?
    C13 N3 C4 . . 110.85(4) ?
    C12 N3 Ni1 . . 116.23(3) ?
    C13 N3 Ni1 . . 106.59(3) ?
    C4 N3 Ni1 . . 106.19(3) ?
    N1 O1 Ni1 . 3_657 127.57(3) ?
    N1 C1 C2 . . 112.08(4) ?
    N1 C1 C5 . . 122.78(4) ?
    C2 C1 C5 . . 125.12(4) ?
    N2 C2 C1 . . 113.19(4) ?
    N2 C2 C6 . . 124.60(4) ?
    C1 C2 C6 . . 122.20(4) ?
    N2 C3 C4 . . 104.57(4) ?
    N2 C3 H3A . . 110.8 ?
    C4 C3 H3A . . 110.8 ?
    N2 C3 H3B . . 110.8 ?
    C4 C3 H3B . . 110.8 ?
    H3A C3 H3B . . 108.9 ?
    N3 C4 C3 . . 108.58(4) ?
    N3 C4 H4A . . 110.0 ?
    C3 C4 H4A . . 110.0 ?
    N3 C4 H4B . . 110.0 ?
    C3 C4 H4B . . 110.0 ?
    H4A C4 H4B . . 108.4 ?
    C1 C5 H5A . . 109.5 ?
    C1 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C1 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    C11 C6 C7 . . 120.24(5) ?
    C11 C6 C2 . . 119.13(4) ?
    C7 C6 C2 . . 120.62(4) ?
    C8 C7 C6 . . 119.49(5) ?
    C8 C7 H7 . . 120.3 ?
    C6 C7 H7 . . 120.3 ?
    C9 C8 C7 . . 120.41(5) ?
    C9 C8 H8 . . 119.8 ?
    C7 C8 H8 . . 119.8 ?
    C8 C9 C10 . . 119.94(5) ?
    C8 C9 H9 . . 120.0 ?
    C10 C9 H9 . . 120.0 ?
    C11 C10 C9 . . 120.21(6) ?
    C11 C10 H10 . . 119.9 ?
    C9 C10 H10 . . 119.9 ?
    C10 C11 C6 . . 119.69(5) ?
    C10 C11 H11 . . 120.2 ?
    C6 C11 H11 . . 120.2 ?
    N3 C12 H12A . . 109.5 ?
    N3 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    N3 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    N3 C13 H13A . . 109.5 ?
    N3 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    N3 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    O2 Cl1 O4 . . 109.55(3) ?
    O2 Cl1 O3 . . 109.96(5) ?
    O4 Cl1 O3 . . 109.08(4) ?
    O2 Cl1 O5 . . 109.42(4) ?
    O4 Cl1 O5 . . 109.47(3) ?
    O3 Cl1 O5 . . 109.34(3) ?
data_global
_journal_date_recd_electronic     2007-09-11
_journal_date_accepted     2007-10-05
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2007
_journal_volume     63
_journal_issue     12
_journal_page_first     m553
_journal_page_last     m556
_journal_paper_category     FM
_journal_coeditor_code     TR3024
_publ_contact_author_name     'Professor Bruce C. Noll'
_publ_contact_author_address
;University of Notre Dame
Department of Chemistry and Biochemistry
251 Nieuwland Science Hall
Notre Dame, IN 46556-5670
USA
;
_publ_contact_author_email     bnoll@nd.edu
_publ_contact_author_fax     0E*****
_publ_contact_author_phone     0E*****
_publ_section_title
;
Two new oximate-bridged square-planar dinuclear nickel(II) complexes
;
loop_
    _publ_author_name
    _publ_author_address
    'Bera, Manindranath'
;University of Notre Dame
Department of Chemistry and Biochemistry
251 Nieuwland Science Hall
Notre Dame, IN 46556-5670
USA
;
    'Noll, Bruce C.'
;University of Notre Dame
Department of Chemistry and Biochemistry
251 Nieuwland Science Hall
Notre Dame, IN 46556-5670
USA
;
