A Triazolate-Supported Fe3(μ 3 -O) Core: Crystal Structure, Fluorescence, and Hirshfeld Surface Analysis

One new trinuclear Fe(III) cluster with a Fe-3(mu (3)-O) core was synthesized by the method of hydrothermal synthesis. The complex [Fe-3(mu (3)-O)(pmta)(6)(H2O)(3)]FeCl4 center dot 2H(2)O (1) (where Hpmta is 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid) was characterized by single-crystal X-ray diffraction methods, elemental analyses, IR spectroscopy, fluorescence and Hirshfeld surface analysis. For complex 1, the crystal structure is extended into 3D structure through N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds. According to the 3D Hirshfeld surface and 2D fingerprint plots, the main interactions in the cluster are the H center dot center dot center dot H, N center dot center dot center dot H and C center dot center dot center dot H contacts.