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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/2/2001846.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_2001846
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 441
_journal_page_last 445
loop_
_publ_author_name
'Brooker, S.'
'Mckee, V.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C13 H19 Mn1 N9 O2'
_chemical_formula_weight 388
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P bcn'
_symmetry_space_group_name_Hall ?
_cell_length_a 18.643(7)
_cell_length_b 12.616(3)
_cell_length_c 7.127(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 1676.0(10)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.539
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 804
_exptl_absorpt_coefficient_mu 0.783
_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
Mn .5000 .17950(10)
  .2500 .0260(10)
N(1) .5000 .3620(4) .2500 .024(2)
C(3) .5000 .5803(5) .2500 .038(2)
C(4) .4385(3) .5254(4) .2015(7) .033(2)
C(5) .4413(3) .4149(4) .2028(7) .027(2)
C(6) .3787(3) .3460(4) .1491(7) .030(2)
C(7) .3074(3) .3965(4) .1119(10) .049(2)
N(2) .3924(2) .2475(3) .1433(6) .0310(10)
C(8) .3370(3) .1694(4) .1008(8) .041(2)
C(9) .3735(3) .0748(4) .0160(9) .045(2)
O(1) .4305(2) .0424(2) .1380(5) .0350(10)
N(20) .5539(2) .1688(3) -.0272(6) .0330(10)
N(21) .6064(3) .2182(3) -.0674(7) .035(2)
N(22) .6577(2) .2660(4) -.1056(8) .052(2)
H(3) .5000 .6563 .2500 .050
H(4) .3953 .5620 .1678 .050
H(7A) .3115 .4720 .1256 .050
H(7B) .2727 .3700 .1996 .050
H(7C) .2923 .3801 -.0136 .050
H(8A) .3126 .1491 .2138 .050
H(8B) .3031 .1985 .0135 .050
H(9A) .3928 .0933 -.1046 .050
H(9B) .3397 .0180 .0019 .050
H(1) .4542 -.0236 .1635 .050