Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete mol-ecular capsule built from multinuclear organothorium cluster cations

Steven P Kelley; Pokpong Rungthanaphatsophon; Justin R Walensky

doi:10.1107/S2056989021008914

Crystal structure of [Th₃(Cp*)₃(O)(OH)₃]₂Cl₂(N₃)₆: a discrete mol-ecular capsule built from multinuclear organothorium cluster cations

Acta Crystallogr E Crystallogr Commun. 2021 Sep 3;77(Pt 10):971-974. doi: 10.1107/S2056989021008914. eCollection 2021 Oct 1.

Authors

Steven P Kelley¹, Pokpong Rungthanaphatsophon¹, Justin R Walensky¹

Affiliation

¹ Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211, USA.

Abstract

An unusually large and structurally complex charge-neutral polynuclear cluster, hexa-μ₂-azido-di-μ₃-chlorido-hexa-μ₂-hydroxido-di-μ₃-oxido-hexa-kis-(penta-methyl-cyclo-penta-dien-yl)hexa-thorium-diethyl ether-tetra-hydro-furan (1/0.56/1.44), [Th₃(C₁₀H₁₅)₆Cl₃(N₃)₆(OH)₆O₂]·0.56C₄H₁₀O·1.44C₄H₈O or [Th₃(Cp*)₃(O)(OH)₃]₂Cl₂(N₃)₆·0.56C₄H₁₀O·1.44C₄H₈O (Cp* = [penta-methyl-cyclo-penta-dien-yl])^-, has been crystallized as a mixed tetra-hydro-furan/diethyl ether solvate and structurally characterized. The mol-ecule contains a number of unusual features, the most notable being a finite yet exceptionally long cyclic metal-azido chain. These rare features are the consequence of both sterically protecting Cp* ligands and highly bridging oxide and hydroxide ligands in the same system and illustrate the inter-esting new possibilities that can arise from combining organometallic and solvothermal f-block element chemistry.

Keywords: actinide; crystal structure; cyclopentadienyl; polynuclear; sandwich complex; thorium.

Grants and funding

This work was funded by U.S. Department of Energy, Office of Science grant DE-SC0021273 to Justin R. Walensky; University of Missouri, Department of Chemistry.