Nd12(OsC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Nd site, Nd(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 edge and corner-sharing NdC5 square pyramids. In the third Nd site, Nd(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 Os sites. In the first Os site, Os(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. In the second Os site, Os(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 Nd(2), two equivalent Nd(3), one Os(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Os(1) atoms to form CNd4Os2 octahedra that share corners with four equivalent C(2)Nd4Os2 octahedra and edges with four equivalent C(4)Nd5Os octahedra. The corner-sharing octahedral tilt angles range from 3-39°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Os(2) atom to form CNd5Os octahedra that share corners with five equivalent C(4)Nd5Os octahedra, edges with two equivalent C(2)Nd4Os2 octahedra, and edges with three equivalent C(4)Nd5Os octahedra. The corner-sharing octahedral tilt angles range from 7-43°.
Nd12(OsC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. Both Nd(1)-C(2) bond lengths are 2.67 Å. Both Nd(1)-C(4) bond lengths are 2.61 Å. In the second Nd site, Nd(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 edge and corner-sharing NdC5 square pyramids. The Nd(2)-C(1) bond length is 2.60 Å. The Nd(2)-C(2) bond length is 2.53 Å. The Nd(2)-C(3) bond length is 2.65 Å. Both Nd(2)-C(4) bond lengths are 2.67 Å. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. Both Nd(3)-C(1) bond lengths are 2.87 Å. Both Nd(3)-C(3) bond lengths are 2.68 Å. There are two shorter (2.74 Å) and two longer (2.93 Å) Nd(3)-C(4) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. The Os(1)-C(1) bond length is 1.87 Å. Both Os(1)-C(2) bond lengths are 2.01 Å. In the second Os site, Os(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. All Os(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 Nd(2), two equivalent Nd(3), one Os(1), and one C(3) atom. The C(1)-C(3) bond length is 1.33 Å. In the second C site, C(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Os(1) atoms to form CNd4Os2 octahedra that share corners with four equivalent C(2)Nd4Os2 octahedra and edges with four equivalent C(4)Nd5Os octahedra. The corner-sharing octahedral tilt angles range from 3-39°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and one C(1) atom. In the fourth C site, C(4) is bonded to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Os(2) atom to form CNd5Os octahedra that share corners with five equivalent C(4)Nd5Os octahedra, edges with two equivalent C(2)Nd4Os2 octahedra, and edges with three equivalent C(4)Nd5Os octahedra. The corner-sharing octahedral tilt angles range from 7-43°.