Materials Data on CoH5CN(ClO)2 by Materials Project

Abstract

CoCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two CoCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each CoCH(OCl)2 ribbon, Co2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing CoCl4O2 octahedra. Both Co–O bond lengths are 2.12 Å. There are two shorter (2.45 Å) and two longer (2.47 Å) Co–Cl bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Co2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.