Materials Data on HgCN2Cl2O by Materials Project

Abstract

HgCl2HgCN2OCl2N2CO crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two mercuric chloride molecules, one HgCN2OCl2 cluster, and two N2CO clusters. In the HgCN2OCl2 cluster, Hg2+ is bonded in a 2-coordinate geometry to two equivalent O2- and two Cl1- atoms. There are one shorter (2.92 Å) and one longer (3.03 Å) Hg–O bond lengths. Both Hg–Cl bond lengths are 2.31 Å. C4+ is bonded in a 1-coordinate geometry to two N1- and one O2- atom. Both C–N bond lengths are 1.39 Å. The C–O bond length is 1.21 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to one C4+ and one N1- atom. The N–N bond length is 1.33 Å. In the second N1- site, N1- is bonded in a 1-coordinate geometry to one C4+ and one N1- atom. O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ atom. In each N2CO cluster, C4+ is bonded in a 1-coordinate geometry to two N1- and one O2- atom. Both C–N bond lengths are 1.39 Å. The C–O bond length is 1.21 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to one C4+ and one N1- atom. The N–N bond length is 1.33 Å. In the second N1- site, N1- is bonded in a 1-coordinate geometry to one C4+ and one N1- atom. O2- is bonded in a distorted single-bond geometry to one C4+ atom.