Molecular Structure of B9H13(CH3CN)

Abstract

A three‐dimensional x‐ray diffraction study of a single crystal of B₉H₁₃(CH₃CN) has yielded the complete structure, including hydrogen atom positions. The nine boron atoms form an icosahedral fragment, like the arrangement in B₁₀H₁₄ with one boron atom missing. The structure is consistent with the present form of the topological theory of boron hydrides and ions in that it has two BH₂ groups, and is related to an anticipated B₉H₁₄^— ion in the same way that B₁₀H₁₂(CH₃CN)₂ is related to B₁₀H₁₄^—2 ion. The crystals are monoclinic, in the space group P2₁/m, and have two molecules in a unit cell having parameters a=5.64, b=9.22, c=9.81 A and β=90°±30 min.