#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/27/2012731.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_2012731
loop_
_publ_author_name
'Luner, Paul E.'
'Patel, Aditya D.'
'Swenson, Dale C.'
_publ_section_title
;
(+-)-Tartaric acid
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              o333
_journal_page_last               o335
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C4 H6 O6'
_chemical_formula_moiety         'C4 H6 O6'
_chemical_formula_sum            'C4 H6 O6'
_chemical_formula_weight         150.09
_chemical_melting_point          479
_chemical_name_common            ' (+-)-tartaric acid '
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.520(10)
_cell_angle_beta                 103.520(10)
_cell_angle_gamma                74.780(10)
_cell_formula_units_Z            2
_cell_length_a                   6.5800(10)
_cell_length_b                   9.1860(10)
_cell_length_c                   4.8966(7)
_cell_measurement_temperature    293(2)
_cell_volume                     277.50(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_meas      1.786
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2012731
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
C1 0.89078(16) 0.39473(10) 0.1805(2) 0.0213(2) Uani d . 1 . . C
O1 0.74120(13) 0.48288(10) 0.29074(19) 0.0331(2) Uani d . 1 . . O
H1 0.804(4) 0.529(3) 0.434(5) 0.082(7) Uiso d . 1 . . H
O2 1.08426(12) 0.38222(9) 0.25797(16) 0.0276(2) Uani d . 1 . . O
C2 0.79394(15) 0.30530(11) -0.05750(19) 0.0202(2) Uani d . 1 . . C
H2 0.687(2) 0.3739(15) -0.186(3) 0.024(3) Uiso d . 1 . . H
O5 0.94702(12) 0.22956(9) -0.20703(15) 0.02443(18) Uani d . 1 . . O
H5 1.050(3) 0.163(2) -0.091(4) 0.053(5) Uiso d . 1 . . H
C3 0.69085(16) 0.19626(11) 0.06351(19) 0.0205(2) Uani d . 1 . . C
H3 0.573(2) 0.2528(16) 0.129(3) 0.024(3) Uiso d . 1 . . H
O6 0.84217(14) 0.09436(9) 0.26827(16) 0.0283(2) Uani d . 1 . . O
H6 0.872(3) 0.140(2) 0.429(4) 0.056(5) Uiso d . 1 . . H
C4 0.60465(15) 0.10406(11) -0.17674(19) 0.0202(2) Uani d . 1 . . C
O3 0.67218(12) -0.03252(8) -0.18357(15) 0.02461(19) Uani d . 1 . . O
O4 0.45352(14) 0.18895(9) -0.37348(17) 0.0316(2) Uani d . 1 . . O
H4 0.409(3) 0.132(2) -0.510(4) 0.061(6) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
C1 0.0248(5) 0.0174(4) 0.0193(4) -0.0066(3) -0.0005(3) -0.0034(3)
O1 0.0270(4) 0.0324(4) 0.0369(5) -0.0080(3) 0.0036(3) -0.0202(3)
O2 0.0249(4) 0.0289(4) 0.0261(4) -0.0086(3) -0.0005(3) -0.0087(3)
C2 0.0222(4) 0.0187(4) 0.0172(4) -0.0060(3) -0.0004(3) -0.0043(3)
O5 0.0267(4) 0.0262(4) 0.0181(3) -0.0054(3) 0.0032(3) -0.0049(3)
C3 0.0231(4) 0.0196(4) 0.0171(4) -0.0066(3) 0.0008(3) -0.0052(3)
O6 0.0377(4) 0.0242(4) 0.0170(3) -0.0070(3) -0.0036(3) -0.0020(3)
C4 0.0200(4) 0.0222(4) 0.0185(4) -0.0081(3) 0.0024(3) -0.0052(3)
O3 0.0275(4) 0.0206(3) 0.0226(4) -0.0066(3) 0.0001(3) -0.0061(3)
O4 0.0339(4) 0.0234(4) 0.0268(4) -0.0046(3) -0.0099(3) -0.0065(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.3120(10) yes
C1 O2 . 1.2160(10) yes
C1 C2 . 1.5220(10) yes
O1 H1 . 0.88(2) ?
C2 C3 . 1.5460(10) yes
C2 H2 . 0.930(10) ?
C2 O5 . 1.4090(10) yes
O5 H5 . 0.88(2) ?
C3 C4 . 1.5200(10) yes
C3 H3 . 0.930(10) ?
C3 O6 . 1.4020(10) yes
O6 H6 . 0.88(2) ?
C4 O3 . 1.2190(10) yes
C4 O4 . 1.3080(10) yes
O4 H4 . 0.88(2) ?