The Crystal Structure of the THF Adduct of Monolithioferrocene

Abstract

AbstractSingle crystals of [Fe(η5‐C5H4)(η5‐C5H5)]2Li2(thf)4 (1) were obtained from a tetrahydrofuran solution containing monolithioferrocene. The title compound crystallizes in the monoclinic space group P21 with a = 9.6589(5) Å, b = 17.4285(9) Å, c = 30.3116(15) Å, β = 91.911(2)° and V = 5099.8(5) Å3 with three independent molecules of 1. All individual molecules feature a non‐ symmetric almost planar Li2C2 four‐membered ring with two shorter (2.118–2.215 Å) and two longer Li–C distances (2.257–2.309 Å). The lithium cations are each coordinated by two carbanionic atoms of two ferrocenyl substituents and two tetrahydrofuran molecules in a distorted tetrahedral fashion. All ferrocenyl moieties display an eclipsed conformation of the C5 rings.