Pr12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one C(2), one C(3), one C(4), and two equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing PrC5 square pyramids. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent C(2), two equivalent C(3), and four equivalent C(1) atoms. In the third Pr site, Pr(3) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two 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(2) and two equivalent C(4) atoms. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded to one Pr(3), two equivalent Pr(1), two equivalent Pr(2), and one Re(2) atom to form distorted CPr5Re octahedra that share corners with five equivalent C(1)Pr5Re octahedra, edges with two equivalent C(4)Pr4Re2 octahedra, and edges with three equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 7-41°. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Re(1), and one C(3) atom. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Re(1) atoms to form CPr4Re2 octahedra that share corners with four equivalent C(4)Pr4Re2 octahedra and edges with four equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 0-33°.
Pr12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one C(2), one C(3), one C(4), and two equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing PrC5 square pyramids. The Pr(1)-C(2) bond length is 2.60 Å. The Pr(1)-C(3) bond length is 2.73 Å. The Pr(1)-C(4) bond length is 2.52 Å. Both Pr(1)-C(1) bond lengths are 2.71 Å. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent C(2), two equivalent C(3), and four equivalent C(1) atoms. Both Pr(2)-C(2) bond lengths are 2.90 Å. Both Pr(2)-C(3) bond lengths are 2.72 Å. All Pr(2)-C(1) bond lengths are 2.88 Å. In the third Pr site, Pr(3) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(4) atoms. Both Pr(3)-C(1) bond lengths are 2.67 Å. Both Pr(3)-C(4) bond lengths are 2.70 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(4) atoms. The Re(1)-C(2) bond length is 1.94 Å. Both Re(1)-C(4) bond lengths are 2.05 Å. In the second Re site, Re(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. All Re(2)-C(1) bond lengths are 1.91 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded to one Pr(3), two equivalent Pr(1), two equivalent Pr(2), and one Re(2) atom to form distorted CPr5Re octahedra that share corners with five equivalent C(1)Pr5Re octahedra, edges with two equivalent C(4)Pr4Re2 octahedra, and edges with three equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 7-41°. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), one Re(1), and one C(3) atom. The C(2)-C(3) bond length is 1.35 Å. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Re(1) atoms to form CPr4Re2 octahedra that share corners with four equivalent C(4)Pr4Re2 octahedra and edges with four equivalent C(1)Pr5Re octahedra. The corner-sharing octahedral tilt angles range from 0-33°.