Insight into coordination of dilead unit by molecules of 4-thiazolidinone-2-thione: Structural and computational studies

► The reaction of Pb2+ ions with rhodanine yields to coordination of the uncommon dilead unit (Pb22+). ► The detailed structural analysis of the Pb1+-Pb1+ complex of N,S,O-heterocyclic compound in condensed phase. ► Dimeric structure with the {N,S} coordination mode. ► The presence of the Pb-Pb unit and its features proposed by theoretical methods.