CaC2(NO)2 crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to two equivalent N(2) and one O(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom.
CaC2(NO)2 crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), three equivalent O(1), and three equivalent O(2) atoms. The Ca(1)-N(1) bond length is 2.47 Å. The Ca(1)-N(2) bond length is 2.47 Å. There are a spread of Ca(1)-O(1) bond distances ranging from 2.45-2.94 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.40-2.80 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. There is one shorter (1.35 Å) and one longer (1.36 Å) C(1)-N(1) bond length. The C(1)-O(1) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to two equivalent N(2) and one O(2) atom. There is one shorter (1.35 Å) and one longer (1.36 Å) C(2)-N(2) bond length. The C(2)-O(2) bond length is 1.30 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom.