#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/51/2005153.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_2005153
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     1610
_journal_page_last     1612
_publ_section_title
;
A Hydrated Cobalt(II) Complex of Quinolinic Acid:
trans-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~]
;
_chemical_formula_iupac     '[Co (C7 H4 N O4)2 (H2 O1)2]'
_chemical_formula_moiety     'C14 H12 Co1 N2 O10'
_chemical_formula_sum            'C14 H12 Co N2 O10'
_[local]_cod_chemical_formula_sum_orig 'C14 H12 Co1 N2 O10'
_chemical_formula_weight     427.19
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'-1/2-x,-1/2+y,-1/2-z'
_cell_length_a     9.3096(8)
_cell_length_b     7.9319(9)
_cell_length_c     10.4302(8)
_cell_angle_alpha     90
_cell_angle_beta     95.297(7)
_cell_angle_gamma     90
_cell_volume     766.90(10)
_cell_formula_units_z     2
_exptl_crystal_density_diffrn     1.850
_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
Co(1) 1 0 1 1.82(2)
O(1) 1.1406(2) -0.1580(2)  .9188(2) 2.17(6)
O(2) 1.3558(2) -0.1871(2)  .8519(2) 2.67(7)
O(3) 1.5515(2)  -.0176(2)  .7901(2) 3.60(10)
O(4) 1.6292(2)  .2411(2)  .8112(2) 2.94(7)
O(5)  .8942(2)  .0567(2)  .8122(2) 2.55(7)
N(1) 1.1669(2)  .1617(2)  .9623(2) 1.88(7)
C(2) 1.2797(2)  .0925(3)  .9098(2) 1.66(8)
C(3) 1.3969(2)  .1924(3)  .8799(2) 1.83(8)
C(4) 1.3882(3)  .3647(3)  .9051(2) 2.31(9)
C(5) 1.2724(3)  .4328(3)  .9586(3) 2.60(10)
C(6) 1.1630(3)  .3269(3)  .9872(2) 2.35(9)
C(7) 1.2575(2)  -.0976(3)  .8917(2) 1.81(8)
C(8) 1.5341(2)  .1367(3)  .8232(2) 2.20(9)
H(1) 1.4664  .4412  .8827 2.6
H(2) 1.2643  .5612  .9788 3.0
H(3) 1.0772  .3669 1.0333 2.6
H(4) 1.4593 -0.1074  .8093 4.3
H(5)  .8236  .1133  .8214 3.1
H(6)  .8704 -0.0307  .7810 3.1
_cod_database_code 2005153