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#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/55/2005595.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_2005595
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2682
_journal_page_last 	2684
_publ_section_title
;
(Diethylamine-N){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2-)-
O,N,O'}nickel(II)
;
_chemical_formula_iupac 	'[Ni (C14 H11 N O2) (C4 H11 N)]'
_chemical_formula_moiety 	'Ni(C14 H11 O2 N)(C4 H10 N)'
_chemical_formula_sum 	'C18 H22 N2 Ni O2'
_chemical_formula_weight 	357.10
_symmetry_cell_setting 	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'    '-x,-y,-z'
 '-x+1/2,-y,1/2+z'   'x+1/2,y,1/2-z'
 '-x,1/2+y,1/2-z'    'x,1/2-y,1/2+z'
 'x+1/2,1/2-y,-z'    '-x+1/2,1/2+y,z'
_symmetry_space_group_name_H-M 	'P b c a'
_cell_length_a 	9.2943(11)
_cell_length_b 	11.6858(10)
_cell_length_c 	31.698(2)
_cell_angle_alpha 	90.0
_cell_angle_beta 	90.0
_cell_angle_gamma 	90.0
_cell_volume 	3445.2(6)
_cell_formula_units_Z 	8
_exptl_crystal_density_diffrn 	1.38
_cell_measurement_temperature 	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
 Ni 0.51005(14) 0.20874(10) 0.12011(4) 2.94(2)
 O1 0.5927(7) 0.2953(6) 0.1620(2) 3.53(12)
 O2 0.4230(8) 0.1313(6) 0.0777(2) 3.6(2)
 N1 0.6382(9) 0.0939(7) 0.1345(3) 3.0(2)
 N2 0.3737(10) 0.3319(7) 0.1089(3) 3.6(2)
 C1 0.6970(10) 0.2380(8) 0.1825(3) 2.7(2)
 C2 0.7729(11) 0.2831(9) 0.2158(4) 3.9(2)
 C3 0.8764(11) 0.2173(9) 0.2363(3) 3.2(2)
 C4 0.9096(11) 0.1073(9) 0.2222(3) 2.9(2)
 C5 0.8358(10) 0.0651(8) 0.1873(3) 2.8(2)
 C6 0.7307(11) 0.1286(8) 0.1684(3) 2.7(2)
 C7 1.0225(13) 0.0362(9) 0.2430(4) 4.9(3)
 C8 0.6382(11) -0.0100(9) 0.1187(3) 3.2(2)
 C9 0.5481(11) -0.0480(10) 0.0858(3) 3.4(2)
 C10 0.5614(14) -0.1641(10) 0.0739(4) 4.3(3)
 C11 0.4778(14) -0.2045(12) 0.0407(4) 5.6(3)
 C12 0.3797(13) -0.1363(11) 0.0220(4) 5.5(3)
 C13 0.3625(12) -0.0221(11) 0.0342(3) 4.2(3)
 C14 0.4453(11) 0.0242(10) 0.0664(4) 4.0(2)
 C15 0.4406(13) 0.4395(10) 0.0968(3) 4.0(3)
 C16 0.5302(15) 0.4241(11) 0.0567(4) 5.5(3)
 C17 0.2764(13) 0.3489(12) 0.1456(4) 5.2(3)
 C18 0.1936(15) 0.2420(14) 0.1563(5) 8.5(5)
 H2 0.755 0.359 0.224 5.0
 H3 0.925 0.247 0.260 4.2
 H5 0.858 -0.008 0.176 3.6
 H10 0.627 -0.213 0.088 5.6
 H11 0.491 -0.281 0.031 7.2
 H12 0.321 -0.167 0.000 7.0
 H13 0.292 0.026 0.020 5.5
 H71 1.063 0.079 0.266 6.3
 H72 0.983 -0.032 0.253 6.3
 H73 1.097 0.022 0.223 6.3
 H151 0.519 0.472 0.112 3.7
 H152 0.375 0.500 0.088 5.3
 H161 0.572 0.496 0.049 7.2
 H162 0.601 0.369 0.061 7.2
 H163 0.467 0.400 0.034 7.2
 H171 0.209 0.406 0.140 7.0
 H172 0.334 0.370 0.170 7.0
 H181 0.136 0.256 0.179 11.8
 H182 0.140 0.219 0.132 11.8
 H183 0.263 0.183 0.163 11.8
 H8 0.705 -0.064 0.129 4.2
 H2' 0.325 0.298 0.085 4.7
_cod_database_code 2005595