#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000711.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_2000711
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1527
_journal_page_last  1528
loop_
_publ_author_name
 'George, C.'
 'Gilardi, R.'
 'Flippen-Anderson, J.L.'
_chemical_formula_moiety  'C7 H9 N7 O8'
_chemical_formula_sum  'C7 H9 N7 O8'
_chemical_formula_weight  319.2
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  10.6150(10)
_cell_length_b  9.115(2)
_cell_length_c  12.948(2)
_cell_angle_alpha  90.
_cell_angle_beta  108.570(10)
_cell_angle_gamma  90.
_cell_volume  1187.6(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.785
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  656
_exptl_absorpt_coefficient_mu  1.38
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .4273(3) -.2976(3) .6364(3) .0300(10)
 N(2) .4247(2) -.1434(3) .6185(2) .0310(10)
 C(3) .4953(3) -.0385(4) .7018(3) .0360(10)
 C(4) .5389(3) -.1164(4) .8108(3) .0320(10)
 N(5) .4341(2) -.2146(3) .8205(2) .0310(10)
 C(6) .4015(3) -.3358(3) .7442(2) .0300(10)
 N(7) .4881(2) -.4608(3) .7853(2) .0300(10)
 C(8) .5839(3) -.4798(3) .7344(2) .0320(10)
 N(9) .5611(2) -.3612(3) .6577(2) .0320(10)
 N(10) .3514(3) -.0889(3) .5186(2) .0360(10)
 O(11) .3622(2) .0424(3) .5060(2) .0470(10)
 O(12) .2806(2) -.1733(3) .4514(2) .0550(10)
 N(13) .3283(3) -.1482(3) .8446(2) .0360(10)
 O(14) .3492(2) -.0259(3) .8857(2) .0500(10)
 O(15) .2260(2) -.2179(3) .8286(2) .0500(10)
 C(16) .4566(3) -.5599(3) .8581(3) .0360(10)
 O(17) .3609(2) -.5300(3) .8854(2) .0500(10)
 C(18) .5427(4) -.6898(4) .8938(4) .047(2)
 O(19) .6670(2) -.5717(2) .7488(2) .0430(10)
 N(20) .6089(3) -.3775(3) .5669(2) .0400(10)
 O(21) .5318(2) -.3427(3) .4793(2) .0490(10)
 O(22) .7212(3) -.4213(3) .5877(2) .0600(10)