One trinuclear iron(III) cluster containing a triangular Fe3(µ 3-O) core: crystal structure, fluorescence and Hirshfeld surface analysis

Abstract

A triazole carboxylic complex, namely, [Fe3(µ 3-O)(pmta)6(H2O)3]·Cl (1), (Hpmta: 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid) has been synthesized under solvothermal conditions, and the crystal structure was determined by single crystal X-ray diffraction. The X-ray study reveals that complex 1 is a trinuclear cluster containing a triangular Fe3(µ 3-O) core. The fluorescent property of the title complex was examined in liquid state and compared with the free ligand. In order to investigate the intermolecular interactions, we also studied the Hirshfeld surface analysis of 1. The Hirshfeld surface shows that the main intermolecular interactions are H···H and N···H/H···N interactions.