#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004905.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_2004905
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1148
_journal_page_last     1150
_publ_section_title
;
Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)
;
_chemical_formula_iupac     '(C7 H10 N)2 [Ni(C4 N2 S2)2]'
_chemical_formula_moiety     '(C7 H10 N) + , [Ni(C4 N2 S2)2] 2-'
_chemical_formula_sum     'C22 H20 N6 Ni S4'
_chemical_formula_weight     555.39
_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     8.5340(10)
_cell_length_b     8.7650(10)
_cell_length_c     9.9750(10)
_cell_angle_alpha     87.560(10)
_cell_angle_beta     64.890(10)
_cell_angle_gamma     72.260(10)
_cell_volume     640.23(12)
_cell_formula_units_Z     1
_exptl_crystal_density_diffrn     1.440
_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 1.0000  .0000  .5000  .03644(12)
S1 1  .97031(6)  .23678(5)  .41892(5)  .04808(14)
S2 1  .72190(6)  .07596(5)  .67155(5)  .04832(14)
N1 1  .6415(3)  .6505(2)  .5154(2)  .0659(5)
N2 1  .3210(3)  .4437(2)  .8404(2)  .0682(5)
N3 1  .9320(2)  .7717(2)  .1689(2)  .0494(4)
C1 1  .7515(2)  .3483(2)  .5421(2)  .0412(3)
C2 1  .6434(2)  .2793(2)  .6528(2)  .0410(3)
C3 1  .6897(3)  .5163(2)  .5272(2)  .0477(4)
C4 1  .4637(2)  .3708(2)  .7567(2)  .0481(4)
C5 1  .8114(3)  .8859(3)  .2822(2)  .0526(4)
C6 1  .6943(3) 1.0181(3)  .2604(2)  .0559(5)
C7 1  .6958(3) 1.0387(2)  .1214(2)  .0526(4)
C8 1  .8225(3)  .9194(3)  .0066(2)  .0570(5)
C9 1  .9379(3)  .7887(3)  .0324(2)  .0545(5)
C10 1 1.0538(4)  .6269(4)  .1965(3)  .0666(6)
C11 1  .5653(4) 1.1819(3)  .0969(4)  .0740(7)
H5 1  .817(3)    .867(3)    .363(3)    .061(6)
H6 1  .609(3)   1.099(3)    .337(3)    .060(6)
H8 1  .833(4)    .933(3)    -.087(3)    .071(7)
H9 1 1.018(4)    .700(3)    -.035(3)    .082(8)
H10A 1 1.161(5)    .573(4)    .107(4)    .111(11)
H10B 1 1.096(5)    .657(4)    .252(4)    .102(11)
H10C 1 1.002(6)    .560(5)    .220(5)    .137(17)
H11A 1  .567(5)   1.173(4)    .011(4)    .107(12)
H11B 1  .454(6)   1.197(5)    .178(5)    .139(16)
H11C 1  .579(6)   1.283(5)    .120(5)    .132(14)