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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001974.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_2001974
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 322
_journal_page_last 324
loop_
_publ_author_name
'Garcia-Granda, S.'
'Calvo-Perez, V.'
'Gomez-Beltran, F.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C5 H16 Cl1 Co1 N4 O3'
_chemical_formula_weight 274.59
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c a 21'
_symmetry_space_group_name_Hall 'P 2c -2ac'
_cell_length_a 10.754(4)
_cell_length_b 11.084(3)
_cell_length_c 8.564(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 1020.8(5)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.79
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 568
_exptl_absorpt_coefficient_mu 1.93
_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
Co(1) .06969(3) .21093(3) .00485 1.930(10)
Cl(1) .23886(7) .54204(7) .5122(2) 3.66(3)
O(1) .2360(2) .1882(2) .0767(3) 2.57(7)
O(2) .1418(2) .0698(2) -.0867(3) 2.84(8)
O(3) .3444(2) .0337(2) -.0306(3) 3.50(10)
N(1) .1298(3) .3090(3) -.1693(4) 2.45(9)
N(2) -.0900(3) .2083(3) -.1055(4) 2.60(10)
N(3) .0033(3) .1162(3) .1786(4) 2.50(10)
N(4) .0314(3) .3528(3) .1304(4) 2.40(9)
C(3) -.0681(4) .1970(4) .2828(7) 3.3(2)
C(2) -.0646(4) .2381(5) -.2714(6) 2.90(10)
C(5) .2471(3) .0923(3) -.0154(5) 2.40(10)
C(1) .0235(5) .3440(4) -.2697(6) 3.00(10)
C(4) .0039(5) .3133(4) .2932(5) 2.90(10)
H(1) .184(4) .260(4) -.225(5) 2.0(9)
H(2) .176(4) .369(4) -.140(6) 5.0(10)
H(3) -.1565(3) .2745(3) -.0658(4) 8(2)
H(4) -.1298(3) .1192(3) -.0955(4) 7.0(10)
H(5) -.038(4) .052(4) .145(5) 4.0(10)
H(6) .067(4) .085(4) .243(5) 3.0(10)
H(7) .100(4) .401(4) .126(5) 4.0(10)
H(8) -.031(4) .391(4) .110(5) 2.0(10)
H(31) -.1551(4) .2168(4) .2252(7) 4.0(10)
H(32) -.0865(4) .1601(4) .3972(7) 1.7(9)
H(21) -.134(4) .256(4) -.328(6) 3.0(10)
H(22) -.026(4) .168(3) -.305(4) 2.0(10)
H(11) .062(3) .372(3) -.375(5) 3.0(10)
H(12) -.017(5) .413(4) -.219(6) 5.0(10)
H(42) .086(4) .302(3) .339(5) 3.0(10)
H(41) -.035(4) .374(4) .356(5) 3.0(10)