Nd12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(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 edge and corner-sharing NdC5 square pyramids. In the second Nd site, Nd(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 Nd site, Nd(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 Nd(3), two equivalent Nd(1), two equivalent Nd(2), and one Re(2) atom to form distorted CNd5Re octahedra that share corners with five equivalent C(1)Nd5Re octahedra, edges with two equivalent C(4)Nd4Re2 octahedra, and edges with three equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 8-40°. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(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 Nd(1), two equivalent Nd(2), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Nd(1), two equivalent Nd(3), and two equivalent Re(1) atoms to form CNd4Re2 octahedra that share corners with four equivalent C(4)Nd4Re2 octahedra and edges with four equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 1-31°.
Nd12(ReC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(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 edge and corner-sharing NdC5 square pyramids. The Nd(1)-C(2) bond length is 2.58 Å. The Nd(1)-C(3) bond length is 2.71 Å. The Nd(1)-C(4) bond length is 2.48 Å. Both Nd(1)-C(1) bond lengths are 2.68 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent C(2), two equivalent C(3), and four equivalent C(1) atoms. Both Nd(2)-C(2) bond lengths are 2.87 Å. Both Nd(2)-C(3) bond lengths are 2.69 Å. There are two shorter (2.83 Å) and two longer (2.90 Å) Nd(2)-C(1) bond lengths. In the third Nd site, Nd(3) is bonded in a rectangular see-saw-like geometry to two equivalent C(1) and two equivalent C(4) atoms. Both Nd(3)-C(1) bond lengths are 2.64 Å. Both Nd(3)-C(4) bond lengths are 2.67 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 1.93 Å. Both Re(1)-C(4) bond lengths are 2.04 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 1.90 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded to one Nd(3), two equivalent Nd(1), two equivalent Nd(2), and one Re(2) atom to form distorted CNd5Re octahedra that share corners with five equivalent C(1)Nd5Re octahedra, edges with two equivalent C(4)Nd4Re2 octahedra, and edges with three equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 8-40°. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(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 Nd(1), two equivalent Nd(2), and one C(2) atom. In the fourth C site, C(4) is bonded to two equivalent Nd(1), two equivalent Nd(3), and two equivalent Re(1) atoms to form CNd4Re2 octahedra that share corners with four equivalent C(4)Nd4Re2 octahedra and edges with four equivalent C(1)Nd5Re octahedra. The corner-sharing octahedral tilt angles range from 1-31°.