Materials Data on CoHgN6Cl5 by Materials Project

Abstract

Co(N2Cl)3HgCl2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two mercuric chloride molecules and two Co(N2Cl)3 clusters. In each Co(N2Cl)3 cluster, Co3+ is bonded in a 4-coordinate geometry to four N atoms. There are a spread of Co–N bond distances ranging from 1.79–2.08 Å. There are four inequivalent N sites. In the first N site, N is bonded in an L-shaped geometry to one Co3+ and one Cl1- atom. The N–Cl bond length is 1.70 Å. In the second N site, N is bonded in a single-bond geometry to one N atom. The N–N bond length is 1.20 Å. In the third N site, N is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.76 Å. In the fourth N site, N is bonded in a T-shaped geometry to one Co3+ and two equivalent N atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent N atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N atom.