Jahn–Teller distortion of the open-shell 23-electron chalcogenide rhenium cluster cores in crystals of the series, {[Re6Q8]3+(X−)6}3− (Q = S, Se; X = Cl, CN)

Abstract

Comparison within the title [Re₆Q₈X₆]⁴⁻/[Re₆Q₈X₆]³⁻ redox series of 14 precise crystal structures of the Re₆ cluster cores at different low temperatures reveals that the one-electron oxidised, open-shell (23 electron) cores undergo a Jahn–Teller distortion of their parent 24 electron octahedral cores and that D_4h and D_2h forms may co-exist in the solid state.