Results for “Fe3H6C6(N3Cl4)2”

Materials Data on Fe3H6C6(N3Cl4)2 by Materials Project

(FeCl4)2Fe(NCH)6 crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two tetrachloroiron molecules and one Fe(NCH)6 cluster. In the Fe(NCH)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Fe–N bond lengths are 1.90 Å. C+1.83+ is bonded in a linear geometry to one N3- and one H1+ atom. The C–N bond length is 1.16 Å. The C–H bond length is 1.09 Å. N3- is bonded in a linear geometry to one Fe3+ and one C+1.83+ atom. H1+ is bonded in a single-bond geometry to one C+1.83+ atom.