MoCoN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(3), one N(5), and two equivalent N(2) atoms to form distorted edge-sharing MoN5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(2), one N(4), one N(5), and two equivalent N(6) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. In the second Co site, Co(2) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Co(2) atom. In the fourth N site, N(4) is bonded in a T-shaped geometry to one Mo(2), one Co(1), and one Co(2) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one Co(1) atom.
MoCoN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(3), one N(5), and two equivalent N(2) atoms to form distorted edge-sharing MoN5 trigonal bipyramids. The Mo(1)-N(1) bond length is 1.94 Å. The Mo(1)-N(3) bond length is 1.77 Å. The Mo(1)-N(5) bond length is 2.04 Å. There is one shorter (2.05 Å) and one longer (2.21 Å) Mo(1)-N(2) bond length. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(2), one N(4), one N(5), and two equivalent N(6) atoms. The Mo(2)-N(2) bond length is 1.85 Å. The Mo(2)-N(4) bond length is 2.09 Å. The Mo(2)-N(5) bond length is 1.77 Å. There is one shorter (2.02 Å) and one longer (2.24 Å) Mo(2)-N(6) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. The Co(1)-N(1) bond length is 1.72 Å. The Co(1)-N(4) bond length is 1.75 Å. The Co(1)-N(6) bond length is 1.70 Å. In the second Co site, Co(2) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. The Co(2)-N(1) bond length is 1.85 Å. The Co(2)-N(3) bond length is 1.86 Å. The Co(2)-N(4) bond length is 1.71 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in an L-shaped geometry to one Mo(1) and one Co(2) atom. In the fourth N site, N(4) is bonded in a T-shaped geometry to one Mo(2), one Co(1), and one Co(2) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one Mo(1) and one Mo(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one Co(1) atom.