Materials Data on PtC2(SN2)2 by Materials Project

Abstract

PtC2(N2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtC2(N2S)2 clusters. Pt2+ is bonded in a 2-coordinate geometry to two N+1.50- and two S2- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) Pt–N bond length. There are one shorter (2.28 Å) and one longer (2.56 Å) Pt–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a distorted single-bond geometry to one Pt2+ and two equivalent S2- atoms. There are one shorter (2.65 Å) and one longer (3.60 Å) N–S bond lengths. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the third N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the fourth N+1.50- site, N+1.50- is bonded in a single-bond geometry to one Pt2+ and one S2- atom. The N–S bond length is 2.77 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Pt2+, one C4+, and three N+1.50- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Pt2+ and one C4+ atom.