Fig. 2: Molecular geometric analysis of intra-cage and inter-cage packing in Orange-1 and Red-1, listing the interplanar distance (di), π slipping distance (ds), and π-overlap area (Soverlap) of aromatic rings.
From: Unveiling the alkyne-π interaction using metal-organic cage compounds
a, b the monomer and their stacked structures in Orange-1. c π-π stacking of L1-L2 in Orange-1 cage monomers. d π-π stacking of L1-L1 in the Orange-1 dimer. e the stacking of L3-L3 between dimers in Orange-1. f–h the monomer and their stacked structures in Red-1. h π-π stacking of L1-L2 in Red-1 cage monomers. i π-π stacking of L1-L1 in the Red-1 dimer. j the stacking of L3-L3 between dimers in Red-1. Note: Four consecutive alkyne-π stackings are observed between L1 ligands in (i).
