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Materials Data on CuBr4(NO)2 by Materials Project

Cu(OBr)2N2(Br)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules; two Cu(OBr)2 ribbons oriented in the (0, 0, 1) direction; and two N2 ribbons oriented in the (0, 0, 1) direction. In each Cu(OBr)2 ribbon, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.09 Å. Br2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In each N2 ribbon, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗

Materials Data on Cu4Br6N4O by Materials Project

Cu4N4O(Br)6 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of twelve hydrobromic acid molecules and two Cu4N4O clusters. In each Cu4N4O cluster, Cu2+ is bonded in a linear geometry to one N3- and one O2- atom. The Cu–N bond length is 1.77 Å. The Cu–O bond length is 1.93 Å. N3- is bonded in a single-bond geometry to one Cu2+ atom. O2- is bonded in a tetrahedral geometry to four equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CuBr4(NO)2 by Materials Project

CuN2O2(Br)4 crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of four ammonia molecules, two cuprum molecules, eight hydrobromic acid molecules, and two hydrogen peroxide molecules.

36 MATERIALS SCIENCE↗