#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004904.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_2004904
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1143
_journal_page_last     1145
_publ_section_title
;
Bis[methyl-N^\b^-(4-methoxyphenylmethylene)dithiocarbazido]nickel(II)
;
_chemical_formula_iupac     '[Ni (C10 H11 N2 O S2)2]'
_chemical_formula_sum     'C20 H22 N4 Ni O2 S4'
_chemical_formula_weight     537.37
_symmetry_cell_setting    'Triclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     8.6010(10)
_cell_length_b     8.7680(10)
_cell_length_c     15.008(2)
_cell_angle_alpha     89.320(10)
_cell_angle_beta     83.970(10)
_cell_angle_gamma     81.220(10)
_cell_volume     1112.3(2)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.604
_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
Ni1 1  .5000  .5000 1.0000  .01737(9)
S1A 1  .62483(6)  .68625(6) 1.03290(3)  .02764(12)
S2A 1  .70250(6)  .94673(6)  .92248(3)  .02764(12)
O1A 1  .3417(2)  .6963(2)  .45898(9)  .0290(3)
N1A 1  .5527(2)  .7322(2)  .86438(10)  .0210(3)
N2A 1  .4895(2)  .5951(2)  .88333(10)  .0198(3)
C1A 1  .6165(2)  .7787(2)  .93081(11)  .0208(3)
C2A 1  .4292(2)  .5420(2)  .81602(12)  .0220(4)
C3A 1  .4167(2)  .5949(2)  .72485(11)  .0202(3)
C4A 1  .3274(2)  .5120(2)  .67517(12)  .0232(4)
C5A 1  .3045(2)  .5474(2)  .58727(12)  .0246(4)
C6A 1  .3715(2)  .6691(2)  .54539(11)  .0214(3)
C7A 1  .4611(2)  .7523(2)  .59276(12)  .0252(4)
C8A 1  .4833(2)  .7164(2)  .68139(12)  .0250(4)
C9A 1  .4133(3)  .8158(3)  .41223(13)  .0320(4)
C10A 1  .6657(3) 1.0141(3)  .81181(14)  .0308(4)
Ni2 1  .0000  .0000  .5000  .01786(9)
S1B 1 -0.15059(6) -0.12891(6)  .43276(3)  .02901(12)
S2B 1 -0.22848(6) -0.10309(6)  .24716(3)  .02747(12)
O1B 1  .1301(2)  .7181(2)  .12956(9)  .0320(3)
N1B 1  -.0547(2)  .0795(2)  .31594(10)  .0213(3)
N2B 1  .0096(2)  .1227(2)  .39256(10)  .0200(3)
C1B 1 -0.1318(2)  -.0343(2)  .33121(11)  .0208(3)
C2B 1  .0670(2)  .2523(2)  .38407(12)  .0231(4)
C3B 1  .0777(2)  .3618(2)  .31125(12)  .0220(4)
C4B 1  .1351(3)  .4963(2)  .33309(13)  .0318(4)
C5B 1  .1498(3)  .6130(2)  .27214(14)  .0346(5)
C6B 1  .1099(2)  .5974(2)  .18534(12)  .0239(4)
C7B 1  .0532(2)  .4654(2)  .16171(12)  .0248(4)
C8B 1  .0371(2)  .3486(2)  .22373(12)  .0246(4)
C9B 1  .0856(3)  .7101(2)  .04083(13)  .0305(4)
C10B 1 -0.1881(3)  .0251(2)  .15629(13)  .0283(4)
H2A 1  .391(3)    .451(3)    .8300(14)  .019(5)
H4A 1  .280(3)    .427(3)    .7055(14)  .021(5)
H5A 1  .250(3)    .489(3)    .5556(16)  .028(6)
H7A 1  .509(3)    .838(3)    .5638(17)  .039(7)
H8A 1  .540(3)    .778(3)    .7098(16)  .030(6)
H9A 1  .373(3)    .919(3)    .4397(17)  .034(6)
H9B 1  .527(3)    .800(2)    .4124(14)  .023(5)
H9C 1  .380(3)    .813(3)    .349(2)    .049(8)
H10A 1  .553(4)   1.015(3)    .8033(19)  .050(8)
H10B 1  .691(3)   1.122(4)    .801(2)    .052(8)
H10C 1  .719(3)    .944(3)    .7669(19)  .045(7)
H2B 1  .111(3)    .274(3)    .4351(17)  .034(6)
H4B 1  .167(3)    .509(3)    .3935(17)  .033(6)
H5B 1  .179(3)    .691(3)    .2856(18)  .042(7)
H7B 1  .022(3)    .460(3)    .1005(16)  .027(6)
H8B 1  -.003(3)    .262(3)    .2028(16)  .028(6)
H9D 1  -.031(3)    .711(3)    .0392(16)  .031(6)
H9E 1  .146(3)    .619(3)    .0067(16)  .030(6)
H9F 1  .111(3)    .803(3)    .013(2)    .051(8)
H10D 1 -0.222(3)    .127(3)    .1779(17)  .036(6)
H10E 1 -0.246(3)    .000(3)    .1049(19)  .046(7)
H10F 1  -.077(3)    .018(3)    .1393(17)  .038(7)