#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/31/2003112.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_2003112
_journal_name_full               'Acta Crystallographica, Section B'
_journal_volume                  55
_journal_year     1999
_journal_page_first     45
_journal_page_last     54
_chemical_formula_sum            'C H4 N2 O'
_[local]_cod_chemical_formula_sum_orig 'C1 H4 N2 O1'
_chemical_formula_weight     60.0
_symmetry_cell_setting     tetragonal
_symmetry_space_group_name_H-M     'P -4 21 m'
_symmetry_space_group_name_Hall     'P -4 2ab'
_cell_length_a     5.5890(5)
_cell_length_b     5.5890(5)
_cell_length_c     4.6947(4)
_cell_angle_alpha     90.000
_cell_angle_beta     90.000
_cell_angle_gamma     90.000
_cell_volume     146.64(4)
_cell_formula_units_Z     2
_cell_measurement_temperature     148
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.30
_exptl_absorpt_coefficient_mu     0.127
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.7069
_diffrn_reflns_number     1971
_diffrn_reflns_av_R_equivalents     0.015
_reflns_number_observed     412
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C 0.0 .5000 .32830(10)
 O 0.0 .5000 .59630(10)
 N .14470(10)
               .64470(10)
                        .17840(10)
 H1 .2552 .7552 .2845
 H2 .1428 .6428 -.0339
_cod_database_code 2003112