Ca2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to four equivalent Ca(1) and one C(1) atom. O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of corner, edge, and face-sharing OCa4Cu2 octahedra. The corner-sharing octahedra are not tilted.
Ca2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent O(1) atoms. All Ca(1)-N(1) bond lengths are 2.88 Å. All Ca(1)-O(1) bond lengths are 2.46 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.88 Å. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both C(1)-N(1) bond lengths are 1.25 Å. N(1) is bonded in a distorted single-bond geometry to four equivalent Ca(1) and one C(1) atom. O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of corner, edge, and face-sharing OCa4Cu2 octahedra. The corner-sharing octahedra are not tilted.