Data Sheet 1_Ligand-directed assembly of an iminodiacetate-hybridized molybdenum-red isopolyoxomolybdate MoV10MoVI3.docx

The hybridized mixed-valence isopolyoxomolybdate [N(CH3)4]5 [MoV10MoVI3(OH)2O37(C4H4NO2)]·6MeOH (IDA-MoV10MoVI3) was synthesized through a solvothermal one-pot method in a non-aqueous environment. The isopolyoxomolybdate scaffold was hybridized with iminodiacetic acid (IDA) by chelating a terminal molybdate group. The structural integrity and composition of IDA-MoV10MoVI3 were confirmed through comprehensive analyses, including single-crystal X-ray diffraction (XRD), elemental analyses, infrared (IR) spectroscopy, Resonance Raman (RR) spectroscopy, UV-vis spectroscopy, and thermogravimetric analysis (TGA). Bond-valence-sum calculations (BVS) provided evidence that (IDA-MoV10MoVI3) is approximately 77% reduced. The high degree of reduction unambiguously places IDA-MoV10MoVI3 in the ‘molybdenum-red’ family of highly reduced isopolymolybdates. Initial antiviral and cytotoxicity assays demonstrated good biocompatibility of IDA-MoV10MoVI3, with no observable toxicity and no significant antiviral activity up to 200 µM.