Ce4C4Br3 crystallizes in the triclinic P-1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one C(1), one C(3), three equivalent C(2), one Br(3), and two equivalent Br(2) atoms. In the second Ce site, Ce(2) is bonded to one C(1), two equivalent C(3), one Br(1), and three equivalent Br(2) atoms to form distorted edge-sharing CeC3Br4 pentagonal bipyramids. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to one C(1), one C(3), three equivalent C(4), one Br(3), and two equivalent Br(1) atoms. In the fourth Ce site, Ce(4) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(1), two equivalent C(2), two equivalent C(4), and two equivalent Br(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), two equivalent Ce(4), and one C(3) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Ce(4), three equivalent Ce(1), and one C(2) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(3), one Ce(4), two equivalent Ce(2), and one C(1) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Ce(4), three equivalent Ce(3), and one C(4) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Ce(2) and two equivalent Ce(3) atoms. In the second Br site, Br(2) is bonded to two equivalent Ce(1) and three equivalent Ce(2) atoms to form distorted edge-sharing BrCe5 square pyramids. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), one Ce(3), and two equivalent Ce(4) atoms.
Ce4C4Br3 crystallizes in the triclinic P-1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one C(1), one C(3), three equivalent C(2), one Br(3), and two equivalent Br(2) atoms. The Ce(1)-C(1) bond length is 2.60 Å. The Ce(1)-C(3) bond length is 2.70 Å. There are a spread of Ce(1)-C(2) bond distances ranging from 2.34-2.63 Å. The Ce(1)-Br(3) bond length is 3.03 Å. There is one shorter (3.22 Å) and one longer (3.37 Å) Ce(1)-Br(2) bond length. In the second Ce site, Ce(2) is bonded to one C(1), two equivalent C(3), one Br(1), and three equivalent Br(2) atoms to form distorted edge-sharing CeC3Br4 pentagonal bipyramids. The Ce(2)-C(1) bond length is 2.54 Å. There is one shorter (2.30 Å) and one longer (2.62 Å) Ce(2)-C(3) bond length. The Ce(2)-Br(1) bond length is 2.90 Å. There are a spread of Ce(2)-Br(2) bond distances ranging from 3.05-3.28 Å. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to one C(1), one C(3), three equivalent C(4), one Br(3), and two equivalent Br(1) atoms. The Ce(3)-C(1) bond length is 2.61 Å. The Ce(3)-C(3) bond length is 2.69 Å. There are a spread of Ce(3)-C(4) bond distances ranging from 2.40-2.65 Å. The Ce(3)-Br(3) bond length is 3.04 Å. There is one shorter (3.06 Å) and one longer (3.19 Å) Ce(3)-Br(1) bond length. In the fourth Ce site, Ce(4) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(1), two equivalent C(2), two equivalent C(4), and two equivalent Br(3) atoms. The Ce(4)-C(3) bond length is 2.63 Å. There is one shorter (2.33 Å) and one longer (2.68 Å) Ce(4)-C(1) bond length. There is one shorter (2.72 Å) and one longer (2.90 Å) Ce(4)-C(2) bond length. There is one shorter (2.79 Å) and one longer (3.04 Å) Ce(4)-C(4) bond length. There is one shorter (3.04 Å) and one longer (3.33 Å) Ce(4)-Br(3) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), two equivalent Ce(4), and one C(3) atom. The C(1)-C(3) bond length is 1.39 Å. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent Ce(4), three equivalent Ce(1), and one C(2) atom. The C(2)-C(2) bond length is 1.38 Å. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(3), one Ce(4), two equivalent Ce(2), and one C(1) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Ce(4), three equivalent Ce(3), and one C(4) atom. The C(4)-C(4) bond length is 1.35 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Ce(2) and two equivalent Ce(3) atoms. In the second Br site, Br(2) is bonded to two equivalent Ce(1) and three equivalent Ce(2) atoms to form distorted edge-sharing BrCe5 square pyramids. In the third Br site, Br(3) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), one Ce(3), and two equivalent Ce(4) atoms.