#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004889.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2004889
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1154
_journal_page_last     1156
_publ_section_title
;
Bis(N-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)
;
_chemical_formula_iupac     '[Ni (C18 H14 N O)2'
_chemical_formula_sum     'C36 H28 N2 Ni O2'
_chemical_formula_weight     578.7
_symmetry_cell_setting     'monoclinic'
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'
_symmetry_space_group_name_H-M     'C2/c'
_cell_length_a     20.7560(10)
_cell_length_b     6.1600(10)
_cell_length_c     21.4750(10)
_cell_angle_alpha     90.00
_cell_angle_beta     97.320(10)
_cell_angle_gamma     90.00
_cell_volume     2723.2(5)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.41
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni 1  .75  .25  .5  .0370(10)
O(1) 1  .7393(2)  .5018(6)  .45700(10)
                                      .0430(10)
N(1) 1  .8229(2)  .1724(6)  .4583(2)  .0330(10)
C(1) 1  .7633(3)  .5653(9)  .4069(2)  .033(2)
C(2) 1  .7409(2)  .7719(11)  .3804(2)  .042(2)
C(3) 1  .7633(3)  .8508(9)  .3289(2)  .044(2)
C(4) 1  .8100(2)  .7378(11)  .2982(2)  .038(2)
C(5) 1  .8305(2)  .8226(9)  .2432(3)  .050(2)
C(6) 1  .8728(3)  .7106(11)  .2119(2)  .050(2)
C(7) 1  .8952(3)  .5103(10)  .2340(3)  .054(2)
C(8) 1  .8760(3)  .4257(10)  .2880(2)  .047(2)
C(9) 1  .8320(2)  .5368(9)  .3222(2)  .031(2)
C(10) 1  .8098(2)  .4536(9)  .3784(2)  .032(2)
C(11) 1  .8383(2)  .2665(11)  .4094(2)  .034(2)
C(12) 1  .8654(3)  -.0117(9)  .4817(2)  .038(2)
C(13) 1  .9148(2)  .0479(9)  .5372(2)  .031(2)
C(14) 1  .9447(3)  .2474(12)  .5425(2)  .046(2)
C(15) 1  .9950(3)  .2948(10)  .5926(3)  .049(2)
C(16) 1 1.0119(3)  .1360(11)  .6365(3)  .061(2)
C(17) 1  .9823(3)  -.0612(12)  .6320(3)  .059(2)
C(18) 1  .9346(3) -0.1097(10)  .5820(3)  .048(2)
H(2) 1  .7106  .8513  .3992  .067
H(3) 1  .7477  .9837  .3128  .071
H(5) 1  .8150  .9568  .2281  .080
H(6) 1  .8865  .7684  .1758  .080
H(7) 1  .9235  .4321  .2122  .086
H(8) 1  .8924  .2918  .3025  .075
H(11) 1  .8726  .2048  .3917  .054
H(121) 1  .8881 -0.0641  .4479  .061
H(122) 1  .8385 -0.1292  .4939  .061
H(14) 1  .9319  .3540  .5128  .074
H(15) 1 1.0156  .4291  .5954  .078
H(16) 1 1.0441  .1637  .6699  .098
H(17) 1  .9941 -0.1656  .6626  .094
H(18) 1  .9159 -0.2472  .5788  .077