Materials Data on CuC3(OF)3 by Materials Project
CuC2O3CF3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight fluoroform molecules and two CuC2O3 ribbons oriented in the (0, 0, 1) direction. In each CuC2O3 ribbon, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to one C+2.67+ and three O2- atoms. The Cu–C bond length is 1.78 Å. There are a spread of Cu–O bond distances ranging from 2.00–2.28 Å. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Cu1+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu1+ and one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu1+ and one C+2.67+ atom.