Materials Data on Sn(CO)4 by Materials Project

Abstract

Sn(CO)4 crystallizes in the orthorhombic Iba2 space group. The structure is one-dimensional and consists of eight Sn(CO)4 ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.17–2.53 Å. There are four inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.34 Å) C–O bond length. In the second C+1.50+ site, C+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.34 Å) C–O bond length. In the third C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.84 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.91 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn2+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and two C+1.50+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and two C+1.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn2+ and one C+1.50+ atom.