#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000232.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000232
loop_
_publ_author_name
'Kirschbaum, K.'
'Giolando, D. M.'
_publ_section_title
;
 Structure of trichloro(\h^5^-methylcyclopentadienyl)titanium(IV)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2216
_journal_page_last               2218
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C6 H7 Cl3 Ti'
_[local]_cod_chemical_formula_sum_orig 'C6 H7 Cl3 Ti1'
_chemical_formula_weight         233.38
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.650(10)
_cell_angle_beta                 83.270(10)
_cell_angle_gamma                61.300(10)
_cell_formula_units_Z            2
_cell_length_a                   6.8620(10)
_cell_length_b                   6.923(2)
_cell_length_c                   11.215(2)
_cell_volume                     462(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.72
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_F_000             232
_[local]_cod_data_source_file    cr0327.cif
_[local]_cod_data_source_block   cr0327a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti .35273(7) .04280(7) .27021(4)
Cl(1) .63000(10) .12680(10) .25409(9)
Cl(2) .15990(10) .22720(10) .11044(7)
Cl(3) .1339(2) .2384(2) .42028(8)
C(1) .2559(5) -.2369(5) .3190(3)
C(2) .4163(6) -.2689(5) .3959(3)
C(3) .6080(5) -.3152(5) .3264(4)
C(4) .5710(5) -.3103(5) .2084(4)
C(5) .3505(4) -.2683(4) .2031(3)
C(6) .2419(7) -.2644(6) .0959(4)
H(1) .103(4) -.196(5) .345(3)
H(2) .408(5) -.254(6) .479(3)
H(3) .737(5) -.345(5) .354(3)
H(4) .636(4) -.314(5) .149(3)
H(5) .253(6) -.428(7) .086(4)
H(6) .277(7) -.218(8) .020(5)
H(7) .034(6) -.140(8) .120(4)
C* .4403 -.2799 .2906
_cod_database_code 2000232