Ta2(CN2)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms to form edge-sharing TaN6 octahedra. In the second Ta site, Ta(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing TaN6 octahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(5) atom. In the third C site, C(3) is bonded in a linear geometry to one N(2) and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(3) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(1) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(1) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(3) atom.
Ta2(CN2)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms to form edge-sharing TaN6 octahedra. There is one shorter (2.17 Å) and one longer (2.18 Å) Ta(1)-N(4) bond length. There is one shorter (2.17 Å) and one longer (2.18 Å) Ta(1)-N(5) bond length. There is one shorter (2.16 Å) and one longer (2.18 Å) Ta(1)-N(6) bond length. In the second Ta site, Ta(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing TaN6 octahedra. There is one shorter (2.16 Å) and one longer (2.18 Å) Ta(2)-N(1) bond length. There is one shorter (2.18 Å) and one longer (2.19 Å) Ta(2)-N(2) bond length. Both Ta(2)-N(3) bond lengths are 2.17 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. The C(1)-N(3) bond length is 1.24 Å. The C(1)-N(4) bond length is 1.24 Å. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(5) atom. The C(2)-N(1) bond length is 1.24 Å. The C(2)-N(5) bond length is 1.24 Å. In the third C site, C(3) is bonded in a linear geometry to one N(2) and one N(6) atom. The C(3)-N(2) bond length is 1.24 Å. The C(3)-N(6) bond length is 1.24 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(3) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one C(1) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(1) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one C(3) atom.