3:1 Molecular Complex of Hydroquinone and C60

Abstract The preparation of a 3:1 complex of hydroquinone (HQ) and C 60 , (HQ) 3 C 60 , is reported and its X‐ray crystal structure described. The HQ host builds up a single H‐bonded super‐polonium network with super‐cubes as building blocks, which accommodate the large C 60 guest molecules. The enclathration of C 60 is rather tight (high density of the complex) owing, in part, to favorable charge‐transfer host‐guest interactions (π‐donor‐acceptor complex). Nonetheless, the C 60 molecules arc orientationally disordered, and no individual bond lengths could be measured. In contrast, the HQ host network is essentially ordered and well‐defined with normal intramolecular geometry. No appreciable (powder) conductivity could be observed for (HQ) 3 C 60 , yet ESR spectra of single crystals showed interesting narrow signals.