Ir2(CN2)3 crystallizes in the monoclinic C2/m space group. Ir(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form edge-sharing IrN6 octahedra. 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 trigonal planar geometry to two equivalent Ir(1) and one C(1) atom. In the second N site, N(2) is bonded to three equivalent Ir(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NIr3C tetrahedra. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Ir(1) and one C(2) atom.
Ir2(CN2)3 crystallizes in the monoclinic C2/m space group. Ir(1) is bonded to one N(3), two equivalent N(1), and three equivalent N(2) atoms to form edge-sharing IrN6 octahedra. The Ir(1)-N(3) bond length is 1.97 Å. Both Ir(1)-N(1) bond lengths are 2.11 Å. There are two shorter (2.15 Å) and one longer (2.16 Å) Ir(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 1.22 Å. The C(1)-N(2) bond length is 1.28 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 1.23 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ir(1) and one C(1) atom. In the second N site, N(2) is bonded to three equivalent Ir(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NIr3C tetrahedra. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Ir(1) and one C(2) atom.