Materials Data on Cd(C5N)12 by Materials Project

Abstract

CdN10(C)60N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules, sixty medicinal charcoal molecules, and one CdN10 cluster. In the CdN10 cluster, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.15–2.19 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cd2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and one N3- atom. The N–N bond length is 3.27 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two N3- atoms. The N–N bond length is 3.38 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and two N3- atoms. The N–N bond length is 3.14 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one N3- atom.