#------------------------------------------------------------------------------
#$Date: 2015-10-13 21:01:50 +0200 (mar 13 de oct de 2015) $
#$Revision: 167771 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310958.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310958
loop_
_publ_author_name
'Robertson, J.H.'
_publ_section_title
;
 Ammonium oxalate monohydrate: structure refinement at 30 K
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              410
_journal_page_last               417
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_systematic        '(N H4)2 (C2 O4) (H2 O)'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.017
_cell_length_b                   10.309
_cell_length_c                   3.735
_cell_volume                     308.687
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Robertson_ACCRA9_1965_1464.cif
_cod_data_source_block           C2H10N2O5
_cod_original_cell_volume        308.6875
_cod_database_code               2310958
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H3 H+1 0.343 0.295 0.618 1 0.0
O1 O-2 0.2028 -0.0604 0.1398 1 0.0
N1 N-3 0.3897 0.2256 0.4286 1 0.0
O3 O-2 0.5 0 -0.1839 1 0.0
H2 H+1 0.478 0.273 0.332 1 0.0
H4 H+1 0.301 0.197 0.311 1 0.0
C1 C+3 0.0934 0.0227 0.0693 1 0.0
H5 H+1 0.417 -0.012 -0.021 1 0.0
H1 H+1 0.437 0.151 0.517 1 0.0
O2 O-2 0.1192 0.1411 0.0013 1 0.0
