Materials Data on HAuC4(N2O)2 by Materials Project

Abstract

AuC4H(N2O)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Au1- is bonded in a square co-planar geometry to four C4+ atoms. All Au–C bond lengths are 2.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.16 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one O2- atom. The N–O bond length is 2.19 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to one C4+ and one O2- atom. The N–O bond length is 2.25 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.24 Å. O2- is bonded in a single-bond geometry to two N3- and one H1+ atom.