Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)

Thomas E Shaw; Pierre LeMagueres; Alfred P Sattelberger; Titel Jurca

doi:10.1107/S2053229620011626

Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)

Acta Crystallogr C Struct Chem. 2020 Oct 1;76(Pt 10):947-951. doi: 10.1107/S2053229620011626. Epub 2020 Sep 19.

Authors

Thomas E Shaw¹, Pierre LeMagueres², Alfred P Sattelberger¹, Titel Jurca¹

Affiliations

¹ Department of Chemistry, University of Central Florida, Orlando, FL 32816, USA.
² Rigaku Americas Corporation, The Woodlands, TX 77381, USA.

PMID: 33016264
DOI: 10.1107/S2053229620011626

Abstract

First reported in 1930, MoCl₃O(Et₂O)₂ is a by-product of the reductive synthesis of MoCl₄(OEt₂)₂ from MoCl₅. We report herein the X-ray crystal structure and Hirshfeld surface characteristics of mer-MoCl₃O(Et₂O)₂, or [MoCl₃O(C₄H₁₀O)₂]. The compound crystallizes in the orthorhombic space group P2₁2₁2₁. The molybdenyl (Mo=O) bond length is 1.694 (3) Å and the cis- and trans-Mo-O distances are 2.157 (3) and 2.304 (3) Å, respectively. Intermolecular Mo=O...H bonding is present in the lattice, with the shortest distance being 2.572 Å.

Keywords: Hirshfeld surface analysis; crystal structure; molybdenum(V) oxohalide.