Materials Data on CuC4(NO2)4 by Materials Project

Abstract

CuO2(N2CO)2(CO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, two copper(ii) hydroxide molecules, and four N2CO clusters. In each N2CO cluster, C4+ is bonded in a 1-coordinate geometry to two N+0.50- and one O2- atom. Both C–N bond lengths are 1.40 Å. The C–O bond length is 1.20 Å. There are two inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a 1-coordinate geometry to one C4+ and one N+0.50- atom. The N–N bond length is 1.32 Å. In the second N+0.50- site, N+0.50- is bonded in a 1-coordinate geometry to one C4+ and one N+0.50- atom. O2- is bonded in a single-bond geometry to one C4+ atom.