Materials Data on CuC3N2O5 by Materials Project
NNCuCO(CO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four carbon dioxide molecules and two NNCuCO clusters. In each NNCuCO cluster, Cu2+ is bonded in a distorted single-bond geometry to one O2- atom. The Cu–O bond length is 2.02 Å. C4+ is bonded in a 1-coordinate geometry to two N2- and one O2- atom. Both C–N bond lengths are 1.36 Å. The C–O bond length is 1.23 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ atom. O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one C4+ atom.
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