Fig. 4. Optimized molecular structures of the FeTPPS/CuTerpyCD₂ inclusion complexes in the Fe/Cu non-bridged and Fe/Cu oxo-bridged forms. The models are shown from both side and top views. Hydrogen atoms are omitted for clarity. Molecular mechanics calculations were carried out using CONFLEX/MM3 (extensive search) parameters in Scigress version 2.2.1 software program (Fujitsu).