Materials Data on HgCS(OF)3 by Materials Project
HgSO3CF3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two fluoroform molecules and two HgSO3 clusters. In each HgSO3 cluster, Hg1+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.21 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S4+ atom.
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