Mo2(CN2)3 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(3), and three equivalent N(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(2) atom.
Mo2(CN2)3 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(3), and three equivalent N(2) atoms. Both Mo(1)-N(1) bond lengths are 2.16 Å. There is one shorter (2.14 Å) and one longer (2.26 Å) Mo(1)-N(3) bond length. There are two shorter (2.21 Å) and one longer (2.34 Å) Mo(1)-N(2) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. The C(1)-N(1) bond length is 1.21 Å. The C(1)-N(2) bond length is 1.26 Å. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. Both C(2)-N(3) bond lengths are 1.24 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(2) atom.