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Crystal structure of (1,3-di-tert-butyl-?(5)-cyclo-penta-dien-yl)tri-methyl-hafnium(IV).

ABSTRACT: The mol-ecule of the title organometallic hafnium(IV) com-pound, [Hf(CH3)3(C13H21)] or [HfMe3(?(5)-C5H3-1,3- (t) Bu2)], adopts the classical three-legged piano-stool geometry for mono-cyclo-penta-dienylhafnium(IV) derivatives with the three methyl groups bonded to the Hf(IV) atom at the legs. The C atoms of the two tert-butyl group bonded to the cyclo-penta-dienyl (Cp) ring are 0.132?(5) and 0.154?(6)?Å above the Cp least-squares plane. There are no significant inter-molecular inter-actions present between the mol-ecules in the crystal structure.

SUBMITTER: Perez-Redondo A

PROVIDER: S-EPMC4420044 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of (1,3-di-tert-butyl-η(5)-cyclo-penta-dien-yl)tri-methyl-hafnium(IV).

Pérez-Redondo Adrián A Varela-Izquierdo Víctor V Yélamos Carlos C

Acta crystallographica. Section E, Crystallographic communications 20150402 Pt 5

The mol-ecule of the title organometallic hafnium(IV) com-pound, [Hf(CH3)3(C13H21)] or [HfMe3(η(5)-C5H3-1,3- (t) Bu2)], adopts the classical three-legged piano-stool geometry for mono-cyclo-penta-dienylhafnium(IV) derivatives with the three methyl groups bonded to the Hf(IV) atom at the legs. The C atoms of the two tert-butyl group bonded to the cyclo-penta-dienyl (Cp) ring are 0.132 (5) and 0.154 (6) Å above the Cp least-squares plane. There are no significant inter-molecular inter-actions pres ...[more]

PMID: 25995884

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