Figure 2.

Results of the volume calculations performed with Voss Volume Voxelator and the molecular structure of modeled host–guest complex 1⋅Fe₄(Zn‐L)₆ showing two zinc porphyrin–pyridine interactions between 1 and the porphyrin walls of the cage. a) Calculated inner‐cavity volume (pale green) of empty cage Fe₄(Zn‐L)₆ in relation to the total volume of the cage displayed in gray mesh. b) Calculated volume of complex 1. c) Side view of the host–guest complex. d) Top view of the host–guest complex. e) Side view of the host–guest complex in space‐filling mode. f) The Zn⋅⋅⋅Zn distance in the empty cage. g) The N_py ⋅⋅⋅N_py distance in the free complex 1.