Materials Data on CsCoH24(C7N4)2 by Materials Project
CsCo(CN)6(N(CH3)4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one CsCo(CN)6 framework. In the CsCo(CN)6 framework, Cs1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (3.69 Å) and two longer (3.73 Å) Cs–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. All Co–C bond lengths are 1.88 Å. There are two inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom.