#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005508.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_2005508
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2402
_journal_page_last    	2404
_publ_section_title    	
;
Chlorobis(\h^5^-methylcyclopentadienyl)(2,3,4,5,6-
pentafluorophenyl)titanium(IV)
;
_chemical_formula_iupac    	'[Ti Cl (C6 F5) (C6 H7)2]'
_chemical_formula_sum    	'C18 H14 Cl F5 Ti'
_chemical_formula_weight    	408.64
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	7.3431(9)
_cell_length_b    	15.305(2)
_cell_length_c    	14.475(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	97.25(2)
_cell_angle_gamma    	90.00
_cell_volume    	1613.8(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.682
_cell_measurement_temperature    	143(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Ti1 1 0.13947(6) 0.66064(3) 0.21791(3) 0.0188(2)
    Cl1 1 0.41497(9) 0.70398(4) 0.16714(5) 0.0296(2)
    F1 1 0.5568(2) 0.55924(11) 0.29503(12) 0.0349(4)
    F2 1 0.6516(2) 0.42806(11) 0.40979(12) 0.0337(4)
    F3 1 0.3978(2) 0.34347(10) 0.49795(11) 0.0334(4)
    F4 1 0.0402(2) 0.39276(10) 0.46522(11) 0.0303(4)
    F5 1 -0.0624(2) 0.52238(10) 0.34905(10) 0.0261(4)
    C11 1 0.2290(4) 0.7788(2) 0.3278(2) 0.0266(6)
    C12 1 0.1075(4) 0.8116(2) 0.2523(2) 0.0288(6)
    H12 1 0.1374 0.8533 0.2081 0.035
    C13 1 -0.0648(4) 0.7722(2) 0.2536(2) 0.0321(7)
    H13 1 -0.1728 0.7841 0.2121 0.039
    C14 1 -0.0482(4) 0.7116(2) 0.3276(2) 0.0305(6)
    H14 1 -0.1425 0.6745 0.3441 0.037
    C15 1 0.1328(4) 0.7161(2) 0.3726(2) 0.0288(6)
    H15 1 0.1818 0.6821 0.4248 0.035
    C16 1 0.4204(4) 0.8101(2) 0.3570(2) 0.0421(8)
    H16A 1 0.4219 0.8483 0.4114 0.050
    H16B 1 0.4639 0.8426 0.3058 0.050
    H16C 1 0.5009 0.7598 0.3731 0.050
    C21 1 0.1263(4) 0.5525(2) 0.0943(2) 0.0286(6)
    C22 1 0.0825(4) 0.6343(2) 0.0535(2) 0.0310(6)
    H22 1 0.1509 0.6638 0.0115 0.037
    C23 1 -0.0776(4) 0.6649(2) 0.0847(2) 0.0325(7)
    H23 1 -0.1363 0.7190 0.0681 0.039
    C24 1 -0.1372(4) 0.6020(2) 0.1449(2) 0.0288(6)
    H24 1 -0.2429 0.6058 0.1764 0.035
    C25 1 -0.0124(4) 0.5329(2) 0.1499(2) 0.0277(6)
    H25 1 -0.0198 0.4810 0.1852 0.033
    C26 1 0.2870(5) 0.4963(3) 0.0817(2) 0.0505(9)
    H26A 1 0.2720 0.4723 0.0184 0.061
    H26B 1 0.2951 0.4484 0.1269 0.061
    H26C 1 0.3995 0.5313 0.0915 0.061
    C31 1 0.2395(3) 0.5499(2) 0.3143(2) 0.0198(5)
    C32 1 0.4190(3) 0.5207(2) 0.3342(2) 0.0221(5)
    C33 1 0.4745(3) 0.4523(2) 0.3938(2) 0.0234(6)
    C34 1 0.3475(4) 0.4091(2) 0.4387(2) 0.0236(6)
    C35 1 0.1672(3) 0.4350(2) 0.4225(2) 0.0207(5)
    C36 1 0.1194(3) 0.5031(2) 0.3619(2) 0.0191(5)