#------------------------------------------------------------------------------
#$Date: 2008-04-03 11:11:48 +0100 (Thu, 03 Apr 2008) $
#$Revision: 326 $
#$URL: svn://www.crystallography.net/cod/cif/2/2101311.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_2101311
loop_
_publ_author_name
'Marsh, R. E.'
'Bernal, I.'
_publ_section_title
;
 More space-group changes
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              300
_journal_page_last               307
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C6 H16 Co1 N4 O4,N O3'
_chemical_formula_sum            'C6 H16 Co1 N5 O7'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.717
_cell_length_b                   12.206
_cell_length_c                   7.717
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_[local]_cod_data_source_file    cr0484.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co .2500 .23090(10) .0 .0208(2)
O(1) .2500 .3238(7) -.2007(11) .037(3)
O(2) .2500 .1135(8) -.1629(14) .028(2)
O(3) .2500 .3117(6) -.4847(17) .080(5)
O(4) .2500 .0874(6) -.4499(8) .042(4)
O(5) .5000 .5000 .019(3) .166(7)
O(6) .4821(6) .4186(6) .2469(16) .130(3)
N(1) .0964(3) .2207(4) .0082(16) .0305(10)
N(2) .2500 .3581(8) .1543(14) .031(3)
N(3) .2500 .1273(9) .1873(15) .024(3)
N(5) .5000 .5000 .1741(12) .040(2)
C(1) .0667(6) .1503(6) .1582(11) .0382(17)
C(2) .1512(5) .0645(5) .1768(9) .0289(15)
C(5) .2500 .2710(10) -.3436(14) .039(3)
C(6) .2500 .1455(8) -.3211(14) .026(3)
H(N1a) .0724 .1906 -.0908 3.0
H(N1b) .0686 .2879 .0212 3.0
H(C1a) .0007 .1164 .1374 3.0
H(C1b) .0627 .1933 .2607 3.0
H(C2a) .1518 .0171 .0792 3.0
H(C2b) .1408 .0226 .2792 3.0
H(N2a) .2500 .4199 .0907 5.0
H(N2b) .1922 .3564 .2216 5.0
H(N3) .2500 .1573 .2938 3.0