#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000427.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_2000427
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1933
_journal_page_last  1936
loop_
_publ_author_name
 'Hoang, N.N.'
 'Valach, F.'
 'Macaskova, L.'
 'Melnik, M.'
_chemical_formula_sum  'C26 H24 Cu1 N2 O8'
_chemical_formula_weight  556.03
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  12.9470(10)
_cell_length_b  9.401(3)
_cell_length_c  20.005(3)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2435.16
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.52
_exptl_crystal_density_meas  1.50
_exptl_crystal_F_000  1148
_exptl_absorpt_coefficient_mu  1.6949
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cu .5 .0 .5
 N .9777(3) .3011(4) .5380(2)
 O(1) .4463(3) .0611(4) .5861(2)
 O(2) .5789(3) .1899(4) .6222(2)
 O(3) .2776(3) .0536(5) .6482(2)
 O(4) .6886(3) .0926(4) .5195(2)
 C(1) 1.0479(4) .2426(6) .5782(3)
 C(2) 1.0345(4) .1107(6) .6056(3)
 C(3) .9449(4) .0362(5) .5922(3)
 C(4) .8720(4) .0935(5) .5503(3)
 C(5) .8915(4) .2266(5) .5235(3)
 C(6) .7758(4) .0103(6) .5339(3)
 C(7) .4885(4) .1480(5) .6274(2)
 C(8) .4222(4) .1949(5) .6836(3)
 C(9) .4602(5) .2940(6) .7301(3)
 C(10) .3964(6) .3420(7) .7814(3)
 C(11) .2970(6) .2901(9) .7877(3)
 C(12) .2599(6) .1920(8) .7445(3)
 C(13) .3201(5) .1470(6) .6915(3)
 H(1) .5369 .3364 .7245
 H(2) .4261 .4194 .8174
 H(3) .2482 .3265 .8293
 H(4) .1811 .1505 .7482
 H(5) .2624 -.0200 .6077
 H(6) .8558 .2746 .4915
 H(7) 1.1097 .3029 .5958
 H(8) 1.0911 .0624 .6299
 H(9) .9309 -.0671 .6121
 H(10) .7581 -.0580 .5745
 H(11) .7926 -.0535 .4892
 H(12) .6915 .2045 .5046