Fig. 6: Solid-state superstructures of the host-guest complexes.

a, b Capped-stick and space-filling representations of the solid-state superstructure and the intermolecular binding iso-surface of COR⊂TPACage6+. c, d Capped-stick and space-filling representations of the corresponding solid-state structures of individual TPACage6+ and COR molecules in their 1:1 complex. e, f Capped-stick and space-filling representations of the solid-state superstructure and intermolecular binding iso-surface of 3H-HBC⊂TPACage6+. g, h Capped-stick and space-filling representations of the corresponding solid-state structures of individual TPACage6+ and 3H-HBC molecules in their 1:1 complex, showing the characteristic parameters defining the changes in their geometries. i, j Capped-stick and space-filling representations of the solid-state superstructure and intermolecular binding iso-surface of 3Me-HBC⊂TPACage6+. k, l Capped-stick and space-filling representations of the corresponding solid-state structures of individual TPACage6+ and 3Me-HBC molecules in their 1:1 complex, showing the characteristic parameters defining the changes in their geometries. Solvent molecules and counterions have been omitted for the sake of clarity. C skyblue, pink and purple, H white, O red, N blue.