#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011061.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011061
loop_
_publ_author_name
'Ringertz, H.'
_publ_section_title
;
 The molecular and crystal structure of uric acid
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              397
_journal_page_last               403
_journal_paper_doi               10.1107/S0365110X66000914
_journal_volume                  20
_journal_year                    1966
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C5 H4 N4 O3'
_chemical_name_mineral           Uricite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 65.10
_cell_angle_gamma                90
_cell_length_a                   14.464
_cell_length_b                   7.403
_cell_length_c                   6.208
_cell_formula_units_Z            4
_cell_volume                     602.943
_database_code_amcsd             0009301
_exptl_crystal_density_diffrn    1.852
_cod_database_code               9011061
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 0.39588 0.42200 0.87757
C2 0.36545 0.26650 0.58328
C3 0.46484 0.21754 0.46398
C4 0.53826 0.26650 0.54745
C5 0.38108 0.11110 0.26193
H1 0.54600 0.40100 0.82000
H2 0.26800 0.42800 0.83700
H3 0.55000 0.06100 0.14600
H4 0.25700 0.21300 0.49200
N1 0.49430 0.36422 0.75924
N2 0.32883 0.36683 0.78474
N3 0.47474 0.12343 0.26222
N4 0.31415 0.20174 0.45958
O1 0.36783 0.51657 0.05543
O2 0.63000 0.23031 0.45254
O3 0.35938 0.03350 0.11202
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009301
