Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project

Abstract

Na2PtC4H4Br2(N2O)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to four N3- and two equivalent O2- atoms to form distorted face-sharing NaN4O2 octahedra. There are a spread of Na–N bond distances ranging from 2.52–2.72 Å. There are one shorter (2.42 Å) and one longer (2.44 Å) Na–O bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two Br1- atoms. All Pt–C bond lengths are 2.02 Å. There are one shorter (2.52 Å) and one longer (2.53 Å) Pt–Br bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom.