Based on the crystallographic data we concluded that one porphyrin cation binds two camphorsulfonic acid molecules. Using this ratio and the α2β2-P[SO4 2-][HSO4 -]4 crystal data the corresponding host-guest complexes were built with subsequent conformation search. According to the Boltzmann distribution, in acetonitrile one major conformer A (90%) and one minor conformer B (up to 10%) being higher in energy by 1.30 kcal/mol are presented (Table ).