Materials Data on CoH9C3N7O2 by Materials Project

Abstract

CoCH(N3O)2(CH3)2NH2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four dimethylazanium molecules and two CoCH(N3O)2 ribbons oriented in the (1, 0, 0) direction. In each CoCH(N3O)2 ribbon, Co4+ is bonded to four N3- and two O2- atoms to form edge-sharing CoN4O2 octahedra. There are a spread of Co–N bond distances ranging from 2.13–2.16 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Co–O bond lengths. C4+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one N3- atom. The N–N bond length is 1.21 Å. In the second N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.17 Å. In the third N3- site, N3- is bonded in a single-bond geometry to one N3- atom. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one N3- atom. The N–N bond length is 1.20 Å. In the fifth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.17 Å. In the sixth N3- site, N3- is bonded in a single-bond geometry to one N3- atom. H1+ is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one C4+ atom.