The crystal and molecular structure of bis(pentamethylcyclopentadienyl)dichlorotitanium(IV)

Autor: John E. Bercaw, Thomas C. McKenzie, Robert D. Sanner
Rok vydání: 1975
Předmět:
Zdroj: Journal of Organometallic Chemistry. 102:457-466
ISSN: 0022-328X
DOI: 10.1016/s0022-328x(00)89390-0
Popis: The structure of bis(pentamethylcyclopentadienyl)dichlorotitanium(IV) has been investigated by single-crystal X-ray diffraction techniques. [η-C 5 (CH 3 ) 5 ] 2 TiCl 2 crystallizes in the orthorhombic space group P 2 1 2 1 2 1 with cell dimensions a = 10.816(1), b = 8.132(1), c = 22.259(1) A; Z = 4. Full matrix, least-squares refinement converged to a final R index of 0.032 based on 1429 reflections. The configuration about the titanium atom is a distorted tetrahedron comprised of the two chlorine atoms and the centroids of the two η-cyclopentadienyl rings. Several ring methyl groups are bent considerably out of the cyclopentadienyl plane and away from the titanium atom. These out-of-plane deviations are attributable to chlorine—methyl crowding and methyl—methyl contacts between the two rings.
Databáze: OpenAIRE