data_2005345
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2168
_journal_page_last  2170
_publ_section_title
;
Diiodobis(\h^5^-trimethylsilylcyclopentadienyl)titanium(IV)
;
_chemical_formula_iupac  '[Ti I2 (C8 H13 Si)2]'
_chemical_formula_sum  'C16 H26 I2  Si2 Ti'
_chemical_formula_structural  'C16 H26 I2 Si2 Ti'
_chemical_formula_weight  576.27
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 'x, -y, z+1/2'
 'x+1/2, y+1/2, z'
 'x+1/2, -y+1/2, z+1/2'
 '-x, -y, -z'
 '-x, y, -z-1/2'
 '-x+1/2, -y+1/2, -z'
 '-x+1/2, y+1/2, -z-1/2'
_symmetry_space_group_name_H-M  'C 2/c'
_cell_length_a  13.440(9)
_cell_length_b  7.205(9)
_cell_length_c  22.388(9)
_cell_angle_alpha  90.00
_cell_angle_beta  92.36(1)
_cell_angle_gamma  90.00
_cell_volume  2166(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.767
_cell_measurement_temperature  293(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
 I1 1 0.04159(11) 1.1690(2) 0.33591(6) 0.0813(7)
 Ti1 1 0.0000 0.9000(5) 0.2500 0.0420(10)
 Si1 1 -0.0968(4) 0.7370(8) 0.4057(2) 0.0685(14)
 C11 1 -0.154(2) 0.931(4) 0.4444(11) 0.129(10)
 H11A 1 -0.2091(83) 0.9791(157) 0.4201(34) 0.155
 H11B 1 -0.1059(40) 1.0276(110) 0.4516(70) 0.155
 H11C 1 -0.1782(115) 0.8890(70) 0.4819(35) 0.155
 C12 1 0.0368(15) 0.696(3) 0.4304(10) 0.087(6)
 H12A 1 0.0756(23) 0.8039(73) 0.4220(53) 0.105
 H12B 1 0.0622(31) 0.5912(114) 0.4092(42) 0.105
 H12C 1 0.0408(19) 0.6710(175) 0.4726(14) 0.105
 C13 1 -0.1719(15) 0.527(3) 0.4207(9) 0.093(7)
 H13A 1 -0.1284(16) 0.4223(50) 0.4268(61) 0.112
 H13B 1 -0.2171(71) 0.5034(111) 0.3873(26) 0.112
 H13C 1 -0.2089(79) 0.5465(78) 0.4559(34) 0.112
 C1 1 -0.1102(11) 0.776(2) 0.3210(7) 0.053(4)
 C2 1 -0.0922(11) 0.639(2) 0.2779(7) 0.050(4)
 H2 1 -0.0605(11) 0.5260(21) 0.2847(7) 0.060
 C3 1 -0.1300(13) 0.703(3) 0.2238(8) 0.058(4)
 H3 1 -0.1279(13) 0.6416(25) 0.1874(8) 0.069
 C4 1 -0.1711(13) 0.872(3) 0.2331(7) 0.073(6)
 H4 1 -0.2040(13) 0.9437(32) 0.2040(7) 0.088
 C5 1 -0.1573(14) 0.919(3) 0.2903(9) 0.076(5)
 H5 1 -0.1763(14) 1.0315(30) 0.3070(9) 0.091