Materials Data on C2S9N2 by Materials Project
C2N2S9 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two [thiobis(dithio)bis(dithio)]biscyanide molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N5+ and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N5+ and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a single-bond geometry to one C4+ atom. In the second N5+ site, N5+ is bonded in a single-bond geometry to one C4+ atom. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one C4+ and one S2- atom. The S–S bond length is 2.10 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.04 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.08 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the sixth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.08 Å. In the seventh S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.04 Å. In the eighth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.10 Å. In the ninth S2- site, S2- is bonded in a distorted water-like geometry to one C4+ and one S2- atom.