Materials Data on CuCClO by Materials Project
CuCOCl crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one CuCOCl sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded to one C2+ and three equivalent Cl1- atoms to form corner-sharing CuCCl3 tetrahedra. The Cu–C bond length is 1.80 Å. All Cu–Cl bond lengths are 2.37 Å. C2+ is bonded in a linear geometry to one Cu1+ and one O2- atom. The C–O bond length is 1.15 Å. O2- is bonded in a single-bond geometry to one C2+ atom. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Cu1+ atoms.
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