Non-Trivial Hexanuclear Copper(II) Complex Based on 4‑(1H-tetrazole-5-yl)Benzoic Acid and 1,10-Phenanthroline

Abstract

The structure of a non-trivial hexanuclear mixed-ligand [Cu₆(phen)₆(H₂O)₄L₆]·2EtOH·10H₂O copper(II) complex with 1,10-phenanthroline (phen) and a 4-(1H-tetrazole-5-yl)benzoic acid (L^2–) anion is determined by single-crystal X-ray diffraction (XRD). The complex crystallizes in the \(P\bar{1}\) space group. Its structure contains three crystallographically non-equivalent copper(II) atoms. Cu2 and Cu3 occur in a distorted square-pyramidal environment, and Cu1 has a 5 + 1 coordination environment. The doubly deprotonated 4-(1H-tetrazole-5-yl)benzoic acid molecule adopts several possible coordinations and acts as a terminal and a bridging ligand connecting copper(II) atoms with each other. As a result of intermolecular π⋯π interactions and hydrogen bonds, the hexanuclear fragments are packed into an interpenetrating supramolecular layered structure.