Materials Data on H8PtCN8 by Materials Project

Abstract

PtCN8H8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PtCN8H8 clusters. Pt4+ is bonded in a rectangular see-saw-like geometry to four N2- atoms. There are a spread of Pt–N bond distances ranging from 2.04–2.08 Å. C4+ is bonded in a tetrahedral geometry to one N2- and three H1+ atoms. The C–N bond length is 1.48 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. There are eight inequivalent N2- sites. In the first N2- site, N2- is bonded in a single-bond geometry to one N2- atom. The N–N bond length is 1.17 Å. In the second N2- site, N2- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N2- site, N2- is bonded in a linear geometry to two N2- atoms. There is one shorter (1.17 Å) and one longer (1.21 Å) N–N bond length. In the fourth N2- site, N2- is bonded in a bent 120 degrees geometry to one Pt4+ and one N2- atom. In the fifth N2- site, N2- is bonded in a single-bond geometry to one N2- atom. In the sixth N2- site, N2- is bonded in a 4-coordinate geometry to one Pt4+, one C4+, and two H1+ atoms. There is one shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the seventh N2- site, N2- is bonded in a bent 120 degrees geometry to one Pt4+ and one N2- atom. The N–N bond length is 1.21 Å. In the eighth N2- site, N2- is bonded in a linear geometry to two N2- atoms. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom.