Ir4C5 crystallizes in the tetragonal P-4c2 space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent C(2) and four equivalent C(3) atoms. In the second Ir site, Ir(2) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Ir site, Ir(3) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Ir site, Ir(4) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Ir site, Ir(5) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-57°. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted pentagonal planar geometry to one Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second C site, C(2) is bonded in a distorted pentagonal planar geometry to one Ir(1), one Ir(3), one Ir(5), and two equivalent Ir(4) atoms. In the third C site, C(3) is bonded in a 5-coordinate geometry to one Ir(1), one Ir(2), one Ir(3), one Ir(4), and one Ir(5) atom.
Ir4C5 crystallizes in the tetragonal P-4c2 space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent C(2) and four equivalent C(3) atoms. All Ir(1)-C(2) bond lengths are 2.10 Å. All Ir(1)-C(3) bond lengths are 2.63 Å. In the second Ir site, Ir(2) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Ir(2)-C(1) bond lengths are 2.30 Å. All Ir(2)-C(3) bond lengths are 2.10 Å. In the third Ir site, Ir(3) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Ir(3)-C(1) bond lengths are 2.14 Å. Both Ir(3)-C(2) bond lengths are 2.15 Å. Both Ir(3)-C(3) bond lengths are 2.20 Å. In the fourth Ir site, Ir(4) is bonded to two equivalent C(3) and four equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing IrC6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both Ir(4)-C(3) bond lengths are 2.05 Å. There are two shorter (2.14 Å) and two longer (2.30 Å) Ir(4)-C(2) bond lengths. In the fifth Ir site, Ir(5) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms to form a mixture of distorted face, corner, and edge-sharing IrC6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-57°. Both Ir(5)-C(1) bond lengths are 2.18 Å. Both Ir(5)-C(2) bond lengths are 2.20 Å. Both Ir(5)-C(3) bond lengths are 2.11 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted pentagonal planar geometry to one Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second C site, C(2) is bonded in a distorted pentagonal planar geometry to one Ir(1), one Ir(3), one Ir(5), and two equivalent Ir(4) atoms. In the third C site, C(3) is bonded in a 5-coordinate geometry to one Ir(1), one Ir(2), one Ir(3), one Ir(4), and one Ir(5) atom.