#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004901.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_2004901
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1141
_journal_page_last    	1143
_publ_section_title
;
Bis[N-(4-chlorobenzilydene)-2-mercaptoanilinato]nickel(II)
;
_chemical_formula_iupac    	'[Ni (C13 H9 Cl N S)2]'
_chemical_formula_moiety    	'Ni(C13 H9 Cl N S)2'
_chemical_formula_sum    	'C26 H18 N2 S2 Cl2 Ni'
_chemical_formula_weight    	552.19
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
_symmetry_space_group_name_H-M    	'C 2/c'
_cell_length_a    	25.990(2)
_cell_length_b    	7.078(1)
_cell_length_c    	13.203(1)
_cell_angle_alpha    	90.0
_cell_angle_beta    	103.82(5)
_cell_angle_gamma    	90.0
_cell_volume    	2358.5(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.555
_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
Ni1 .500 .0984(1) .750 2.95(2)
S1 .5505(1) .3066(2) .8469(1) 4.10(3)
Cl1 .27367(1) -.3643(4) .7539(2) 9.24(7)
N1 .5295(2) -.0802(6) .8572(3) 3.07(8)
C1 .3407(2) -.314(1) .7953(5) 4.7(1)
C2 .3747(2) -.4671(9) .8294(5) 4.9(1)
C3 .4285(2) -.4268(8) .8624(4) 4.1(1)
C4 .4474(2) -.2458(8) .8603(4) 3.4(1)
C5 .4116(2) -.0966(9) .8282(4) 3.8(1)
C6 .3578(2) -.1342(9) .7960(5) 4.3(1)
C7 .5048(2) -.2109(8) .8932(4) 3.6(1)
C8 .5846(2) -.0468(7) .9051(4) 3.1(1)
C9 .6204(2) -.1897(9) .9471(4) 4.0(1)
C10 .6730(2) -.137(1) .9882(5) 4.9(1)
C11 .6881(2) .046(1) .9884(5) 5.2(2)
C12 .6525(2) .1873(9) .9463(5) 4.5(1)
C13 .5992(2) .1423(8) .9053(4) 3.6(1)
H2 .359(2) -.607(9) .831(4) 6.4
H3 .452(2) -.544(8) .880(4) 5.3
H5 .427(2) .057(8) .836(4) 4.9
H6 .337(2) -.022(8) .779(4) 5.6
H7 .524(2) -.299(8) .945(4) 4.8
H9 .607(2) -.331(8) .943(4) 5.3
H10 .695(2) -.268(9) 1.013(4) 6.4
H11 .723(2) .086(9) 1.008(4) 6.6
H12 .663(2) .321(8) .946(4) 5.9