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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001841.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_2001841
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 430
_journal_page_last 433
loop_
_publ_author_name
'Lukaszewicz, K.'
'Pietraszko, A.'
'Augustyniak, M.A.'
_chemical_formula_moiety ?
_chemical_formula_sum 'H13 N3 O8 Se2'
_chemical_formula_weight 341.04
_symmetry_cell_setting trigonal
_symmetry_space_group_name_H-M 'R -3 {hexagonal axes}'
_symmetry_space_group_name_Hall '-R 3'
_cell_length_a 6.0640(10)
_cell_length_b 6.0640(10)
_cell_length_c 22.904(5)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 729.4(2)
_cell_formula_units_Z 3
_exptl_crystal_density_diffrn 2.33
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 498
_exptl_absorpt_coefficient_mu 6.88
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Se .0 .0 .40906(3) .039
O(1) .2918(6) .1634(8) .4301(2) .079
O(2) .041(2)   .0773(16) .3376(3) .061
N(1) .0 .0 .0 .046
N(2) .0 .0 .1974(3) .053
H(1) .123(3) .226(7) .326(3) .019
H(2) .0 .0 .037(3) .066
H(3) .062(6) .112(3) .018(2) .071
H(4) .0 .0 .149(5) .131
H(5) .062(3) .141(3) .223(2) .135