Materials Data on FeH36C12S6(BrO2)3 by Materials Project

Fe(SO)6(CH3)12(Br)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydrobromic acid molecules, thirty-six methane molecules, and three Fe(SO)6 clusters. In each Fe(SO)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Fe–O bond lengths are 2.03 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one S2- atom.