Crystal structure of the formal 20 electron zirconocene penta­fulvene complex Cp2Zr(η5,η1-adamantyl­idene­penta­fulvene):toluene:n-hexane = 1:0.125:0.125

Acta Crystallographica Section E: Crystallographic Communications

Fischer, M.¹  Schmidtmann, M.²  Beckhaus, R.⁵ 

[1] Institut für Chemie, Fakultär Mathematik und Naturwissenschaften, Carl von Ossietzky Universität Oldenburg, 26129 Oldenburg, Germany;t fü

关键词: CRYSTAL STRUCTURE;    ZIRCONIUM;    METALLOCENE;    ZIRCONOCENE;    PENTAFULVENE;    20 ELECTRON COMPLEX;   

DOI  :  10.1107/S2056989017015560

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure of a solvated zirconocene penta­fulvene complex with a bulky adamantyl­idene substitution pattern, namely (η5,η1-adamantyl­idene­penta­fulvene)bis­(η5-cyclo­penta­dien­yl)zirconium(IV)–toluene–n-hexane (8/1/1), [Zr(C15H18)(C5H5)2]·0.125C7H8·0.125C6H14, is reported. Reducing zirconocene dichloride with magnesium results in the formation of a low-valent zirconocene reagent that reacts readily with adamantyl­idene­penta­fulvene to give the aforementioned complex. Single crystal X-ray diffraction proves the dianion-like η5:η1 binding mode of the fulvene ligand to the central ZrIV atom. The asymmetric unit contains four independent mol­ecules of [η5:η1-adamantyl­idene­penta­fulvene]bis­[(η5)-cyclo­penta­dien­yl]zirconium(IV), together with half a mol­ecule of toluene disordered with half a mol­ecule of n-hexane (the solvent mol­ecules have no direct influence on the complex). In each of the four complex mol­ecules, the central ZrIV atom has a distorted tetra­hedral coordination environment. The measured crystal consisted of two domains with a refined ratio of 0.77:0.23.

【 授权许可】

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