Micro-vial Synthesis, Structure, Magnetic Properties and Hirshfeld Surface Analysis of a Penta-nuclear Fe(III) Cluster

A new penta-nuclear Fe-III cluster, [HN(C2H5)(3)]center dot[Fe-5(timb)(4)(ATZ)(4)(mu(3)-O)(2)]center dot(H2O)(5)(1), (H(2)timb is 4-bromo-2-[(1H-tetrazol-5-ylimino)-methyl]-phenol; HATZ is 5-amino-1,2,3,4-tetrazole), was synthesized through micro-vial synthesis methods, which was characterized by elemental analysis, FT-IR spectra, X-ray single-crystal diffraction, thermogravimetric analysis. The single crystal belongs to the tetragonal system, space group I (4) over bar 2d with a = 0.19735(1), b = 0.19735(1), c = 0.26118(2) nm, M-r = 1904.04, V = 10.1724(10) nm(3), Z = 4, D-c = 1.118 g/cm(3), F(000) = 3356, mu = 2.314 mm(-1), R = 0.0500 and wR = 0.1151. The magnetic properties and Hirshfeld surface analysis of 1 were investigated and discussed in detail.