Abstract
Three crystal structures of p-sulfonatothiacalix [6] arene (1) inclusion complexes with octa-aqua lanthanide metal ions (M=Gd3+, Ho3+, and Er3+) have been determined by single crystal X-ray diffraction studies. Three structures show a same conformation as “up-down” double partial cone conformation. The aquated lanthanide metal ions were captured in the “up-down” cavities of thiacalixarene. In the overall their crystal structures, supramolecular assemblies are formed by hydrogen bonds and π-π staking interactions.