Hf6CCl14 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one C(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. In the second Hf site, Hf(2) is bonded to one C(1), one Cl(5), two equivalent Cl(1), and two equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. C(1) is bonded in an octahedral geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in an L-shaped geometry to one Hf(1) and one Hf(2) atom. In the second Cl site, Cl(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Hf(1) atoms. In the third Cl site, Cl(4) is bonded in an L-shaped geometry to two equivalent Hf(1) atoms. In the fourth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Hf(2) and two equivalent Hf(1) atoms. In the fifth Cl site, Cl(1) is bonded in an L-shaped geometry to one Hf(1) and one Hf(2) atom.
Hf6CCl14 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one C(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom to form a mixture of corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. The Hf(1)-C(1) bond length is 2.26 Å. The Hf(1)-Cl(1) bond length is 2.50 Å. The Hf(1)-Cl(2) bond length is 2.50 Å. The Hf(1)-Cl(3) bond length is 2.63 Å. The Hf(1)-Cl(4) bond length is 2.47 Å. The Hf(1)-Cl(5) bond length is 2.57 Å. In the second Hf site, Hf(2) is bonded to one C(1), one Cl(5), two equivalent Cl(1), and two equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing HfCCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. The Hf(2)-C(1) bond length is 2.19 Å. The Hf(2)-Cl(5) bond length is 2.92 Å. Both Hf(2)-Cl(1) bond lengths are 2.48 Å. Both Hf(2)-Cl(2) bond lengths are 2.48 Å. C(1) is bonded in an octahedral geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in an L-shaped geometry to one Hf(1) and one Hf(2) atom. In the second Cl site, Cl(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Hf(1) atoms. In the third Cl site, Cl(4) is bonded in an L-shaped geometry to two equivalent Hf(1) atoms. In the fourth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Hf(2) and two equivalent Hf(1) atoms. In the fifth Cl site, Cl(1) is bonded in an L-shaped geometry to one Hf(1) and one Hf(2) atom.