#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012338.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_2012338
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1349
_journal_page_last  1351
_publ_section_title
;
Ammonium hydrogen tartronate at 240 and 20 K
;
loop_
_publ_author_name
  'Moritani, Yoshimitsu'
  'Fukunaga, Takeo'
  'Ishida, Hiroyuki'
  'Kashino, Setsuo'
_chemical_name_common  'Ammonium Hydrogen Tartronate '
_chemical_formula_moiety  'N H4 1+, C3 H3 O5 1-'
_chemical_formula_sum  'C3 H7 N O5'
_chemical_formula_iupac  'N H4 1+, C3 H3 O5 1-'
_chemical_formula_weight  137.10
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y+1/2, z+1/2'
_cell_length_a  4.299(3)
_cell_length_b  9.0650(16)
_cell_length_c  14.262(6)
_cell_angle_alpha  90.00
_cell_angle_beta  92.67(5)
_cell_angle_gamma  90.00
_cell_volume  555.2(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  240
_exptl_crystal_density_diffrn  1.640
_diffrn_ambient_temperature  240
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
  O1  .6356(3)  .29310(15)  .55964(9)  .0329(3) Uani d . 1 . . O
  O2  .2672(3)  .52135(14)  .59125(8)  .0314(3) Uani d . 1 . . O
  O3  .1668(3)  .44548(14)  .73593(8)  .0277(3) Uani d . 1 . . O
  O4  .2693(3)  .06613(14)  .59727(7)  .0314(3) Uani d . 1 . . O
  O5  .2171(3)  .14138(14)  .74516(8)  .0284(3) Uani d . 1 . . O
  N1  .1078(5)  .19683(19)  .41576(11)  .0308(4) Uani d . 1 . . N
  C1  .4986(4)  .29647(18)  .64725(10)  .0220(3) Uani d . 1 . . C
  C2  .2919(4)  .43368(17)  .65716(10)  .0204(3) Uani d . 1 . . C
  C3  .3137(4)  .15489(18)  .66120(10)  .0210(3) Uani d . 1 . . C
  H1  .660(5)  .298(2)  .6987(14)  .029(5) Uiso d . 1 . . H
  H2  .631(6)  .370(3)  .5344(18)  .056(8) Uiso d . 1 . . H
  H3A  .090(8)  .081(4)  .751(2)  .026(9) Uiso d P  .60 . . H
  H3B  .049(12)  .510(6)  .741(4)  .030(15) Uiso d P  .40 . . H
  H4  .238(7)  .195(3)  .464(2)  .073(9) Uiso d . 1 . . H
  H5  -.026(8)  .286(3)  .425(2)  .079(9) Uiso d . 1 . . H
  H6  .208(6)  .209(3)  .360(2)  .061(8) Uiso d . 1 . . H
  H7  -.033(8)  .126(4)  .415(2)  .082(10) 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
  O1  .0435(8)  .0249(6)  .0321(7)  .0038(6)  .0230(6)  .0046(5)
  O2  .0462(8)  .0269(6)  .0219(6)  .0064(6)  .0101(5)  .0066(5)
  O3  .0412(8)  .0223(6)  .0206(6)  .0024(6)  .0129(5)  -.0005(5)
  O4  .0478(8)  .0264(6)  .0203(6)  -.0072(6)  .0048(5)  -.0021(5)
  O5  .0444(8)  .0208(6)  .0209(6)  -.0050(6)  .0112(5)  .0012(5)
  N1  .0418(9)  .0327(9)  .0181(7)  -.0009(8)  .0044(6)  -.0020(6)
  C1  .0249(7)  .0237(8)  .0180(7)  -.0008(7)  .0062(6)  .0008(6)
  C2  .0253(8)  .0190(7)  .0172(7)  -.0037(6)  .0042(6)  -.0015(5)
  C3  .0235(8)  .0210(7)  .0187(7)  .0021(6)  .0017(6)  .0027(6)
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
  O1 C1 . 1.406(2) yes
  O1 H2 .  .79(3) no
  O2 C2 . 1.2318(19) yes
  O3 C2 . 1.2724(19) yes
  O3 H3B .  .78(5) no
  O4 C3 . 1.2243(19) yes
  O5 C3 . 1.2914(19) yes
  O5 H3A .  .78(4) no
  C1 C3 . 1.528(2) yes
  C1 C2 . 1.539(2) yes
  C1 H1 .  .99(2) no
  N1 H4 .  .86(3) no
  N1 H5 . 1.00(3) no
  N1 H6 .  .93(3) no
  N1 H7 .  .88(3) no