A solid-state molecular capsule based on p-sulfonatocalix[7]arene and dicationic Diquat guest

An extended framework of molecular capsules based on p-sulfonatocalix[7]arene and a dicationic Diquat guest has been obtained. One Diquat guest molecule is encapsulated inside two trimeric 3/4 - cone subunits of two different p-sulfonatocalix[7]arene caps. The molecular capsules are sealed electrostatically by means of interactions between anionic sulfonato groups and Ba2+ cations. Interestingly, the extended capsular framework gives rise to cavities hosting water molecules.