Materials Data on H9PtN2ClO2 by Materials Project

Abstract

PtN2H7OClH2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four water molecules and four PtN2H7OCl clusters. In each PtN2H7OCl cluster, Pt2+ is bonded in a rectangular see-saw-like geometry to two N3-, one O2-, and one Cl1- atom. Both Pt–N bond lengths are 2.06 Å. The Pt–O bond length is 2.05 Å. The Pt–Cl bond length is 2.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are seven 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a distorted single-bond geometry to one Pt2+ and one H1+ atom. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.