Materials Data on GdH8C10N(O2F3)4 by Materials Project

Abstract

Gd(CO2)4(CH3)2NH2(CF3)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two dimethylazanium molecules; eight fluoroform molecules; and one Gd(CO2)4 ribbon oriented in the (1, 0, 0) direction. In the Gd(CO2)4 ribbon, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.52 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ 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. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the third C2+ site, C2+ 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. In the fourth C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Gd3+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom.