An M12(L1)12(L2)12 Cantellated Tetrahedron: A Case Study on Mixed-Ligand Self-Assembly

In the self-assembly of Pd-II ions and two different, but similarly shaped, ligands (1 and 2), neither random mixing nor self-sorting of the two ligands into two unmixed structures was observed. Instead a mixed, yet sorted, Pd-12(1)(12)(2)(12) cantellated tetrahedron (and its pseudoisomer) was selectively formed, thus revealing a fine example of intramolecular self-sorting. A case study showed that a homothetic ratio of >2 is necessary to observe cantellated tetrahedra.