Assembly of a Three-Dimensional Metal–Organic Framework with Copper(I) Iodide and 4‑(Pyrimidin-5-yl) Benzoic Acid: Controlled Uptake and Release of Iodine

A novel three-dimensional metal–organic framework, [Cu₂I₂]_0.5­[Cu₂(CO₂)₄­(C₁₀H₇N₂)₄]_0.5­·2DMF (JLU-Liu14), has been synthesized under solvothermal conditions, which is constructed by ternary secondary building units (SBUs): classical Cu₂(CO₂)₄ paddle-wheel unit, Cu₂I₂ dimer unit, and organic SBU. In JLU-Liu14, the pyrimidine groups of 4-PmBC (4-(pyrimidin-5-yl) benzoic acid) ligands coordinated to copper paddle-wheel and Cu₂I₂ dimer units to form a zigzag chain, and the zigzag chains then connected together by 4-PmBC ligands to generate a three-dimensional framework with (3,4,6)-connected topology. There are two types of channels along the c axis with the dimensions of 14 × 14 Å and 5 × 5 Å, respectively, in which the big hexagonal channel is surrounded by six small trigonal channels. In addition, JLU-Liu14 displays the interesting ability of the uptake and release of iodine.