Materials Data on PtC8(SF3)4 by Materials Project

Abstract

PtC6(S2F3)2(CF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two PtC6(S2F3)2 clusters. In each PtC6(S2F3)2 cluster, Pt2- is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.26 Å) and two longer (2.27 Å) Pt–S bond lengths. There are three inequivalent C+2.75+ sites. In the first C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the second C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the third C+2.75+ site, C+2.75+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. All C–F bond lengths are 1.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2- and one C+2.75+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2-, one C+2.75+, and one F1- atom. The S–F bond length is 2.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ and one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ atom.