Sc3IrC4 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. Ir(1) is bonded in a distorted square co-planar geometry to two equivalent C(1) and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sc(2), two equivalent Sc(1), two equivalent Sc(3), one Ir(1), and one C(1) atom to form a mixture of distorted face, corner, and edge-sharing CSc5IrC pentagonal bipyramids. In the second C site, C(2) is bonded to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Ir(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing CSc5IrC pentagonal bipyramids.
Sc3IrC4 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. There are two shorter (2.41 Å) and two longer (2.47 Å) Sc(1)-C(1) bond lengths. There are two shorter (2.41 Å) and two longer (2.47 Å) Sc(1)-C(2) bond lengths. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. Both Sc(2)-C(1) bond lengths are 2.40 Å. There are two shorter (2.34 Å) and two longer (2.41 Å) Sc(2)-C(2) bond lengths. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. Both Sc(3)-C(2) bond lengths are 2.40 Å. There are two shorter (2.34 Å) and two longer (2.40 Å) Sc(3)-C(1) bond lengths. Ir(1) is bonded in a distorted square co-planar geometry to two equivalent C(1) and two equivalent C(2) atoms. Both Ir(1)-C(1) bond lengths are 2.19 Å. Both Ir(1)-C(2) bond lengths are 2.17 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sc(2), two equivalent Sc(1), two equivalent Sc(3), one Ir(1), and one C(1) atom to form a mixture of distorted face, corner, and edge-sharing CSc5IrC pentagonal bipyramids. The C(1)-C(1) bond length is 1.44 Å. In the second C site, C(2) is bonded to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Ir(1), and one C(2) atom to form a mixture of distorted face, corner, and edge-sharing CSc5IrC pentagonal bipyramids. The C(2)-C(2) bond length is 1.45 Å.