Synthesis and Crystal Structure of [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)]2 [CpZr(O2CH)5] and [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)] [B(C6F5)4]

Reaction of Cp2ZrH2 with formic acid in non aqueous solvent leads to the formation of unexpected [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)]2[CpZr(O2CH)5] (1). Here we present the crystal structures of this salt and the corresponding [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)] [B(C6F5)4] (2) generated by anion exchange through reaction with Ph3C[B(C6F5)4].

Graphical abstractReaction of Cp2ZrH2 with formic acid in non aqueous solvent leads to the formation of unexpected [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)]2[CpZr(O2CH)5] (1). Here we present the crystal structures of this salt and the corresponding [Cp3Zr3(μ2-O2CH)3(μ2-OH)3(μ3-O)] [B(C6F5)4] (2) generated by anion exchange through reaction with Ph3C[B(C6F5)4].Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► A trinuclear “halfsandwich” cluster was formed by an unexpected reaction of a zirconocene complex with formic acid. ► The double negative charged halfsandwich anion could nearly quantitatively exchanged by a weakly coordinating anion. ► For both cluster compounds X-ray crystal structures are reported.