Materials Data on As8H2CS10(N10Cl)2 by Materials Project

Abstract

(As4(N2S)5)2CH2Cl2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four dichloromethane molecules and eight As4(N2S)5 clusters. In each As4(N2S)5 cluster, there are four inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted trigonal non-coplanar geometry to three N+1.20- atoms. All As–N bond lengths are 1.91 Å. In the second As5+ site, As5+ is bonded in a distorted trigonal non-coplanar geometry to three N+1.20- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) As–N bond length. In the third As5+ site, As5+ is bonded in a distorted trigonal non-coplanar geometry to three N+1.20- atoms. There are a spread of As–N bond distances ranging from 1.90–1.93 Å. In the fourth As5+ site, As5+ is bonded in a distorted trigonal non-coplanar geometry to three N+1.20- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) As–N bond length. There are ten inequivalent N+1.20- sites. In the first N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the second N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the third N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the fourth N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the fifth N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the sixth N+1.20- site, N+1.20- is bonded in a trigonal planar geometry to two As5+ and one S2- atom. The N–S bond length is 1.70 Å. In the seventh N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.55 Å. In the eighth N+1.20- site, N+1.20- is bonded in a trigonal planar geometry to two As5+ and one S2- atom. The N–S bond length is 1.69 Å. In the ninth N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. In the tenth N+1.20- site, N+1.20- is bonded in a bent 120 degrees geometry to one As5+ and one S2- atom. The N–S bond length is 1.54 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.20- atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N+1.20- atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.20- atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.20- atoms. In the fifth S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.20- atoms.