Fig. 4. (A) Overlay of the anionic frameworks of [TEA]3[In3(BTC)4] (blue), [(Cp2Co)x(TEA)3–x][In3(BTC)4] after partial cation exchange (green) and [Cp2Co]3[In3(BTC)4] (red). (B) Single crystal structure of [(Cp2Co)x(TEA)3–x][In3(BTC)4] after partial cation exchange. The Cp rings could not be reliably modelled and only the Co atoms are shown, positioned in the centre of the pores on 4 axes. Co–In distances are depicted with green dashed lines. (C) Guest-accessible space in [Cp2Co]3[In3(BTC)4], calculated with one of the four disordered components of [Cp2Co]+ present. The Cp rings are facing into the channels. (D) Single crystal structure of [Cp2Co]3[In3(BTC)4] showing the encapsulated [Cp2Co]+ cation positioned offset from the center of the pores. Nearest C–H···O contacts between the Cp rings and the anionic framework are represented by red dotted lines.
