DOE OSTI2020
ZnC4H2(N2S3)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two ZnC4H2(N2S3)2 sheets oriented in the (0, 1, 0) direction. Zn2+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.36 Å) and two longer (2.40 Å) Zn–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.34 Å. There is one shorter (1.70 Å) and one longer (1.73 Å) C–S bond length. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N2- and two S2- atoms. The C–N bond length is 1.32 Å. There is one shorter (1.72 Å) and one longer (1.76 Å) C–S bond length. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted bent 120 degrees geometry to one C4+ and one H1+ atom. The N–H bond length is 1.03 Å. In the second N2- site, N2- is bonded in a distorted single-bond geometry to one C4+ atom. H1+ is bonded in a single-bond geometry to one N2- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Zn2+ and one C4+ atom. In the second S2- site, S2- is bonded in a distorted water-like geometry to one Zn2+ and one C4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to two C4+ atoms.