#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005037.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_2005037
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1423
_journal_page_last    	1424
_publ_section_title
;
A Biologically Active Gold Complex:
Trichloro[(2-pyridyl)methanol-N]gold(III)
;
_chemical_formula_sum    	'C6 H7 Au Cl3 N O'
_chemical_formula_weight    	412.43
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_cell_length_a    	7.826(2)
_cell_length_b    	14.606(4)
_cell_length_c    	8.830(3)
_cell_angle_alpha    	90
_cell_angle_beta    	96.58(2)
_cell_angle_gamma    	90
_cell_volume    	1002.7(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	2.727
_cell_measurement_temperature    	298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Au .1801(1) .1156(1) .0890(1) .024(1)
Cl(1) .4666(5) .1222(3) .0708(5) .047(1)
Cl(2) .1250(5) .1925(2) -.1339(4) .041(1)
Cl(3) -.1068(4) .1033(3) .1086(4) .045(1)
N .2268(11) .0457(7) .2869(11) .025(2)
C(1) .2083(18) .0839(8) .4264(13) .030(3)
C(2) .2413(19) .0301(10) .5509(16) .041(3)
C(3) .2945(21) -.0581(10) .5444(16) .045(4)
C(4) .3135(19) -.0957(9) .4006(15) .039(3)
C(5) .2810(19) -.0430(9) .2788(17) .041(3)
C(6) .1581(25) .1813(9) .4385(17) .052(4)
O .2155(15) .2386(7) .3313(11) .044(2)
H(2) .2269(19) .0548(10) .6457(16) .070(22)
H(3) .3178(21) -.0928(10) .6327(16) .070(22)
H(4) .3481(19) -.1562(9) .3914(15) .070(22)
H(5) .2956(19) -.0673(9) .1837(17) .070(22)
H(6) .0336(25) .1848(9) .4300(17) .070(22)
H(7) .2020(25) .2035(9) .5391(17) .070(22)
H(8) .3088(239) .2581(149) .3707(217) .070(22)