How Does a Non-C-3-Symmetry Guest Molecule Fit into a C-3-Symmetry Host Cavity?

Reactions of (NH4)(2)[MoOS3] with [Cu(McCN)(4)](ClO4) and bis(3,5-dimethylpyrazolyl)methane (dmpzm) (molar ratio = 1:3:3) in MeCN produced a cationic cluster [MoOS3Cu3(dmpzm)(3)](ClO4) (I). I consists of a unique 3D hydrogen-bonded network with empty C-3-symmetry cavities. A set of C-3 (cyclohexane) or non-C-3-symmetry solvent molecules (aniline, N,N'-dimethylformamide, formamide, and water) could recognize these C-3-symmetry cavities and smartly fit themselves into them by converting themselves into C-3-symmetry species through intriguing ways of symmetry-oriented molecular disorder and trimerization.