Fig. 1

ORTEP drawing of UCU@I_h(7)-C₈₀·[Ni^II-OEP] with 40% probability ellipsoids. a UCU@I_h(7)-C₈₀·[Ni^II-OEP] structure showing the relationship between the fullerene cage and the [Ni^II-OEP] ligands. The two U1/U2 sites have common occupancy of 0.853(3). Four minor U sites (Supplementary Fig. 6) and the solvent molecules are omitted here for clarity. b Fragment view showing the interaction of the major U1–C₀–U2 cluster with the closest aromatic ring fragments of the cage with centers Ct1 and Ct2. The orange line connects Ct1–U1–U2–Ct2