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Bis[η 5 -( tert -butoxyca-rbonyl)-cyclo-penta-dien-yl]di-chlorido-titanium(IV), [Ti(C 10 H 13 O 2 ) 2 Cl 2 ], was synthesized from LiCp COO t -Bu using TiCl 4 , and was characterized by single-crystal X-ray diffraction and 1 H NMR spectroscopy. The distorted tetra-hedral geometry about the central titanium atom is relatively unchanged compared to Cp 2 TiCl 2 . The complex exhibits elongation of the titanium-cyclo-penta-dienyl centroid distances [2.074 (3) and 2.070 (3) Å] and a contraction of the titanium-chlorine bond lengths [2.3222 (10) Å and 2.3423 (10) Å] relative to Cp 2 TiCl 2 . The dihedral angle formed by the planes of the Cp rings [52.56 (13)°] is smaller than seen in Cp 2 TiCl 2 . Both ester groups extend from the same side of the Cp rings, and occur on the same side of the complex as the chlorido ligands. The complex may serve as a convenient synthon for titanocene complexes with carboxyl-ate anchoring groups for binding to metal oxide substrates.

acta crystallographica. section e, crystallographic communications

Synthesis and characterization of a tert-butyl ester-substituted titanocene dichloride: t-BuOOCCp2TiCl2