Materials Data on RuC4(O2F3)2 by Materials Project

Abstract

Ru(CO2)2(CF3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four fluoroform molecules and one Ru(CO2)2 ribbon oriented in the (1, 0, 0) direction. In the Ru(CO2)2 ribbon, Ru6+ is bonded to five O2- atoms to form edge-sharing RuO5 square pyramids. There are a spread of Ru–O bond distances ranging from 2.07–2.43 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ru6+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom.