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Two tetragonal molecular barrels TB1 and TB2 were successfully synthesized by coordination-driven self-assembly of a tetrapyridyl donor (L) of the thiazolo[5,4-d]thiazole backbone with cis-blocked 90° Pd(II) and Pt(II) acceptors, respectively. The single-crystal structure analysis of TB1 revealed the formation of a two-face opened tetragonal Pd8 molecular barrel architecture. In contrast, the isostructural Pt(II) barrel (TB2) is water-soluble. The large confined hydrophobic molecular cavity including wide open windows and good water solu