Y12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Y site, Y(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing YC5 square pyramids. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Re(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Re(1) atoms to form CY4Re2 octahedra that share corners with four equivalent C(2)Y4Re2 octahedra and edges with four equivalent C(4)Y5Re octahedra. The corner-sharing octahedral tilt angles range from 4-27°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Y(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Y(1), two equivalent Y(2), two equivalent Y(3), and one Re(2) atom to form distorted CY5Re octahedra that share corners with five equivalent C(4)Y5Re octahedra, edges with two equivalent C(2)Y4Re2 octahedra, and edges with three equivalent C(4)Y5Re octahedra. The corner-sharing octahedral tilt angles range from 6-43°.
Y12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. Both Y(1)-C(2) bond lengths are 2.56 Å. Both Y(1)-C(4) bond lengths are 2.53 Å. In the second Y site, Y(2) is bonded to one C(1), one C(2), one C(3), and two equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing YC5 square pyramids. The Y(2)-C(1) bond length is 2.53 Å. The Y(2)-C(2) bond length is 2.36 Å. The Y(2)-C(3) bond length is 2.58 Å. Both Y(2)-C(4) bond lengths are 2.56 Å. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. Both Y(3)-C(1) bond lengths are 2.74 Å. Both Y(3)-C(3) bond lengths are 2.59 Å. There are two shorter (2.77 Å) and two longer (2.83 Å) Y(3)-C(4) bond lengths. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. The Re(1)-C(1) bond length is 1.94 Å. Both Re(1)-C(2) bond lengths are 2.06 Å. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. All Re(2)-C(4) bond lengths are 1.91 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Re(1), and one C(3) atom. The C(1)-C(3) bond length is 1.36 Å. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Re(1) atoms to form CY4Re2 octahedra that share corners with four equivalent C(2)Y4Re2 octahedra and edges with four equivalent C(4)Y5Re octahedra. The corner-sharing octahedral tilt angles range from 4-27°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Y(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Y(1), two equivalent Y(2), two equivalent Y(3), and one Re(2) atom to form distorted CY5Re octahedra that share corners with five equivalent C(4)Y5Re octahedra, edges with two equivalent C(2)Y4Re2 octahedra, and edges with three equivalent C(4)Y5Re octahedra. The corner-sharing octahedral tilt angles range from 6-43°.