An acs-Type Metal-Organic Framework with an Unprecedented Undecanuclear Copper Cluster as Secondary Building Unit

An undecanuclear copper(I)-based coordination polymer with formula [Cu11Br5(amtd)6(MeCN)3] (1) is accessible by mixed-solvothermal reaction of copper(I) bromide with 2-amino-5-mercapto-1,3,4-thiadiazole (Hamtd) in acetonitrile and water. X-ray structural analysis reveals that 1 has an acs topological network based on six-connected {Cu11Br2S6} building blocks, interconnected by amtd linkers. The undecanuclear copper cluster adopts the geometry of a bicapped trigonal prism, in which each triangular face of the {Cu5S6} trigonal prism is capped by an additional {Cu3Br} trigonal pyramid. The undecanuclear copper cluster is not common, and the discussion of the crystal structure is provided. IR spectroscopy, elemental analysis, and powder XRD analysis confirmed the phase-purity of the as-synthesized compound. The photoluminescence properties of 1 in the solid state at ambient temperature are also investigated.