Crystal structure and computational analysis of tetra-kis-(aceto-nitrile)-bis-(nona-fluoro-tert-butanolato)titanium(III) complex as a salt of the weakly coordinating [Al{OC(CF(3))(3)}(4)](-) anion

四(乙腈)双(九氟叔丁醇)钛(III)配合物作为弱配位阴离子[Al{OC(CF(3))(3)}(4)](-)盐的晶体结构和计算分析

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Abstract

The title compound, [Ti(C(4)F(9)O)(2)(C(2)H(3)N)(4)][Al(C(4)F(9)O)(4)] or [Ti{OC(CF(3))(3)}(2)(CH(3)CN)(4)][Al{OC(CF(3))(3)}(4)], is the first structurally characterized complex of Ti(III) containing four aceto-nitrile mol-ecules and perfluorinated alk-oxy-aluminate in its coordination sphere. The [Ti{OC(CF(3))(3)}(2)(CH(3)CN)(4)](+) cation adopts a compressed octa-hedral geometry where aceto-nitrile occupies the equatorial positions with apically bound alkoxide anions.

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