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C(CN)4 is Iron carbide-derived structured and crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of twenty-four hydrogen cyanide molecules and six methane molecules.
CoO4(C5N4)2(CO2)2(ClO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two formic acid molecules, two C5N4 clusters, one ClO cluster, and one CoO4 cluster. In each C5N4 cluster, there are five inequivalent C+3.67+ sites. In the first C+3.67+ site, C+3.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.30 Å. In the second C+3.67+ site, C+3.67+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.32 Å) and one longer (1.42 Å) C–N bond length. In the third C+3.67+ site, C+3.67+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.39 Å) and one longer (1.58 Å) C–N bond length. In the fourth C+3.67+ site, C+3.67+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.32 Å) and one longer (1.40 Å) C–N bond length. In the fifth C+3.67+ site, C+3.67+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.35 Å) and one longer (1.38 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two C+3.67+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two C+3.67+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to three C+3.67+ atoms. In the fourth N3- site, N3- is bonded in a water-like geometry to two C+3.67+ atoms. In the ClO cluster, O2- is bonded in a distorted L-shaped geometry to two equivalent Cl1- atoms. There is one shorter (1.56 Å) and one longer (2.33 Å) O–Cl bond length. Cl1- is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In the CoO4 cluster, Co2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.88 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Co2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Co2+ atom.
C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.
C11N4 crystallizes in the orthorhombic P222 space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are three inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a water-like geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.54 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.48 Å. In the third C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.49 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.