Materials Data on AuC5(SCl)4 by Materials Project

AuCl4C5S4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four 4,5-bis(methylsulfanyl)-1,3-dithiole molecules and four AuCl4 clusters. In each AuCl4 cluster, Au1- is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom.