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Materials Data on Cu(NCl2)2 by Materials Project

CuCl4N2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ammonia molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.15 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CuNCl3 by Materials Project

(CuCl3)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and two CuCl3 clusters. In each CuCl3 cluster, Cu2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cu–Cl bond distances ranging from 2.14–2.24 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cu(N3Cl)2 by Materials Project

Cu(N3Cl)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Cu2+ is bonded in an octahedral geometry to six N atoms. There are a spread of Cu–N bond distances ranging from 1.87–1.93 Å. There are five inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. There are three shorter (2.71 Å) and one longer (2.72 Å) N–Cl bond lengths. In the second N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.70 Å. In the third N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.70 Å. In the fourth N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.98 Å. In the fifth N site, N is bonded in a single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.98 Å. Cl1- is bonded in a 8-coordinate geometry to twelve N atoms.

36 MATERIALS SCIENCE↗