Materials Data on CdC3NCl3 by Materials Project

Abstract

CdCl2ClC1C2N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight 1-chloromethylaziridine molecules and four CdCl2 ribbons oriented in the (1, 0, 0) direction. In each CdCl2 ribbon, Cd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cd–Cl bond distances ranging from 2.47–2.58 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cd2+ atoms.