#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005016.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_2005016
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1441
_journal_page_last    	1448
_publ_section_title    	
;
Five New Chlorochromates(VI) of Organic Bases
;
_chemical_formula_iupac    	'(C10 H10 N) [Cr O3 Cl]'
_chemical_formula_sum    	'C10 H10 Cl Cr N O3'
_chemical_formula_weight    	279.6
_symmetry_cell_setting    	triclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	6.748(5)
_cell_length_b    	7.957(5)
_cell_length_c    	11.611(2)
_cell_angle_alpha    	104.89(1)
_cell_angle_beta    	100.34(3)
_cell_angle_gamma    	92.11(3)
_cell_volume    	590(1)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.574
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr(1) 0.10212(4) 0.31689(4) 0.23002(3) .0457(1)
Cl(1) -0.09261(1) 0.07266(8) 0.17072(7) .0707(2)
O(1) 0.0227(3) 0.4343(2) 0.1386(2) .0650(6)
O(2) 0.3295(2) 0.2696(3) 0.2239(2) .0683(7)
O(3) 0.0799(3) 0.4099(3) 0.3658(2) .0697(7)
N(1) 0.7079(3) 0.6443(2) 0.1580(2) .0515(6)
C(1) 0.5990(3) 0.6896(2) 0.2486(2) .0458(5)
C(2) 0.6587(3) 0.6501(3) 0.3604(2) .0558(7)
C(3) 0.5429(4) 0.6978(3) 0.4468(2) .0593(8)
C(4) 0.3662(3) 0.7866(3) 0.4279(2) .0544(8)
C(5) 0.3093(3) 0.8249(3) 0.3194(2) .0520(7)
C(6) 0.4241(3) 0.7781(2) 0.2267(2) .0455(6)
C(7) 0.3717(3) 0.8155(3) 0.1133(2) .0535(7)
C(8) 0.4885(4) 0.7672(3) 0.0268(2) .0575(7)
C(9) 0.6576(4) 0.6799(3) 0.0518(2) .0560(7)
C(10) 0.2466(6) 0.8342(5) 0.5274(3) .0742(11)
H1 0.81419(27) 0.59009(22) 0.17072(17) ?
H2 0.77436(35) 0.59276(30) 0.37527(21) ?
H3 0.58119(40) 0.67120(32) 0.52069(21) ?
H5 0.19353(32) 0.88252(28) 0.30594(20) ?
H7 0.25704(34) 0.87326(29) 0.09692(20) ?
H8 0.45430(39) 0.79285(31) -0.04760(20) ?
H9 0.73683(37) 0.64598(29) -0.00664(21) ?
H101 0.3280(85) 0.8880(81) 0.6166(56) ?
H102 0.1825(102) 0.7556(92) 0.5296(57) ?
H103 0.1720(96) 0.9275(95) 0.5226(54) ?