#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005013.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_2005013
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1410
_journal_page_last     1412
_publ_section_title
;
Bis(pyridine-2,3-dicarboxylato-N,O)copper(II)
;
_chemical_formula_iupac     '[Cu (C7 H5 N1 O4)2]'
_chemical_formula_moiety     'C14 H10 Cu1 N2 O8'
_chemical_formula_sum            'C14 H10 Cu N2 O8'
_[local]_cod_chemical_formula_sum_orig 'C14 H10 Cu1 N2 O8'
_chemical_formula_weight     397.78
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
_cell_length_a     6.730(3)
_cell_length_b     12.887(3)
_cell_length_c     8.274(2)
_cell_angle_alpha     90
_cell_angle_beta     107.26(2)
_cell_angle_gamma     90
_cell_volume     685.3(3)
_cell_formula_units_z     2
_exptl_crystal_density_diffrn     1.918
_exptl_crystal_density_meas    'none'
_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
Cu(1) 0 0  .5 2.14(3)
O(1)  .1558(4) -0.1245(2)  .4938(4) 2.00(10)
O(2)  .4766(4) -0.1901(2)  .5785(4) 2.10(10)
O(3)  .7481(5) -0.1499(3)  .9302(4) 2.60(10)
O(4)  .9365(5)  -.0837(3)  .7743(4) 2.50(10)
N(1)  .2696(5)  .0525(3)  .6433(4) 1.50(10)
C(2)  .4193(6)  -.0215(3)  .6724(5) 1.40(10)
C(3)  .6186(6)  -.0024(4)  .7776(5) 1.50(10)
C(4)  .6636(7)  .0961(4)  .8463(6) 2.1(2)
C(5)  .5116(7)  .1708(4)  .8145(6) 2.2(2)
C(6)  .3158(7)  .1458(4)  .7142(6) 2.0(2)
C(7)  .3489(6) -0.1210(3)  .5759(5) 1.60(10)
C(8)  .7858(6)  -.0850(3)  .8239(5) 1.7(2)
H(1)  .771(7)  .107(4)  .906(6) 2.0(10)
H(2)  .540(7)  .224(4)  .855(6) 2.0(10)
H(3)  .226(7)  .182(3)  .700(6) 2.0(10)
H(4)  .8295 -0.2094  .9635 2.0
_cod_database_code 2005013