Materials Data on HgH3CSO3 by Materials Project
HgSO3CH3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight methane molecules and one HgSO3 framework. In the HgSO3 framework, Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and five O2- atoms. The Hg–Hg bond length is 2.59 Å. There are a spread of Hg–O bond distances ranging from 2.25–3.02 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Hg1+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Hg1+ and one S2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one S2- atom.