#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000484.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_2000484
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2058
_journal_page_last  2060
loop_
_publ_author_name
 'Du, M.-H.'
 'Hitchcock, P.B.'
_chemical_formula_sum  'C12 H5 N3 O6'
_chemical_formula_weight  287.2
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  11.336(2)
_cell_length_b  10.134(3)
_cell_length_c  20.275(3)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2329.2
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.64
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1168
_exptl_absorpt_coefficient_mu  0.13
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .5726(5) .2723(5) .6243(3) .060(4)
 O(2) .2310(6) -.0329(6) .5343(3) .081(4)
 O(3) .6986(5) .0855(6) .6969(3) .067(4)
 O(4) .5988(6) .1082(7) .7870(3) .075(4)
 O(5) .2419(5) -.2419(5) .6195(3) .069(4)
 O(6) .1946(5) -.1763(6) .7172(3) .074(4)
 N(1) .4752(5) .0758(6) .6315(3) .027(3)
 N(2) .6067(5) .0840(6) .7283(3) .044(2)
 N(3) .2516(7) -.1695(7) .6669(3) .055(2)
 C(1) .5116(7) .1920(8) .5959(4) .044(2)
 C(2) .4680(7) .2029(8) .5279(4) .043(2)
 C(3) .5161(8) .3034(9) .4894(4) .063(3)
 C(4) .4703(9) .3169(10) .4249(5) .075(3)
 C(5) .3850(9) .2370(10) .4023(5) .074(3)
 C(6) .3354(8) .1386(9) .4409(5) .065(3)
 C(7) .3780(7) .1222(7) .5056(4) .043(2)
 C(8) .3212(8) .0250(8) .5478(4) .048(2)
 C(9) .3783(6) .0019(6) .6126(3) .039(4)
 C(10) .3480(6) -.0745(7) .6653(3) .033(2)
 C(11) .4219(7) -.0496(7) .7181(4) .038(2)
 C(12) .5006(7) .0413(7) .6954(3) .035(2)
 H3 .574 .361 .507 ?
 H4 .505 .385 .398 ?
 H5 .364 .259 .358 ?
 H6 .276 .085 .423 ?
 H11 .419 -.085 .761 ?