Materials Data on AgH6C2N5O4 by Materials Project

Abstract

AgCN3H6N2CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four dinitromethane molecules and four AgCN3H6 clusters. In each AgCN3H6 cluster, Ag1+ is bonded in a distorted linear geometry to two N+1.40- atoms. There are one shorter (2.10 Å) and one longer (2.13 Å) Ag–N bond lengths. C4+ is bonded in a bent 120 degrees geometry to two N+1.40- atoms. There is one shorter (1.31 Å) and one longer (1.34 Å) C–N bond length. There are three inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a distorted trigonal planar geometry to one Ag1+, one C4+, and one H1+ atom. The N–H bond length is 1.02 Å. In the second N+1.40- site, N+1.40- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N+1.40- site, N+1.40- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three H1+ atoms. All N–H bond lengths are 1.02 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom.