Materials Data on SnCNCl3 by Materials Project
CNSn2Cl5CNCl crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one cyanogen chloride molecule; one hydrogen cyanide molecule; and one Sn2Cl5 sheet oriented in the (1, 0, 0) direction. In the Sn2Cl5 sheet, there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted trigonal bipyramidal geometry to five Cl1- atoms. There are a spread of Sn–Cl bond distances ranging from 2.34–2.63 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. There are a spread of Sn–Cl bond distances ranging from 2.60–2.86 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn2+ atom. In the third Cl1- site, Cl1- is bonded in a linear geometry to two Sn2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms.