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A new di-nuclear ruthenium arene compound containing thiosemicarbazone ligands,[Ru(η6-cymene)(TSC)Cl]2(PF6)2 (2),was synthesized and characterized by 1H NMR,HR-ESI-MS,and elemental analysis.Furthermore,the complete structure of 2 was determined by single-crystal X-ray diffraction analysis.Density functional theory (DFT) calculations with B3LYP functional and LANL2DZ (for Ru)/6-31G* (for other atoms) basis sets were carried out for the reactions involving complexes 1 and 2 in order to understand the formation of the complexes.The in vitro anticancer activities of the compound were investigated against five human cancer cell lines (SGC-7901,CNE-2,HepG2,KB and HeLa),and the IC50 values are 39.5,45.8,49.8,54.5 and 61.8 μM,respectively.