Sc7CI12 crystallizes in the triclinic P1 space group. There are seven inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one C(1), one I(1), one I(11), one I(12), one I(3), and one I(4) atom. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one C(1), one I(10), one I(12), one I(2), one I(3), and one I(5) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one C(1), one I(10), one I(11), one I(2), one I(4), and one I(6) atom. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to one C(1), one I(1), one I(10), one I(5), one I(7), and one I(9) atom. In the fifth Sc site, Sc(5) is bonded in a 6-coordinate geometry to one C(1), one I(11), one I(5), one I(6), one I(7), and one I(8) atom. In the sixth Sc site, Sc(6) is bonded in a 6-coordinate geometry to one C(1), one I(1), one I(12), one I(6), one I(8), and one I(9) atom. In the seventh Sc site, Sc(7) is bonded in an octahedral geometry to one I(2), one I(3), one I(4), one I(7), one I(8), and one I(9) atom. C(1) is bonded in an octahedral geometry to one Sc(1), one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom. There are twelve inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(4), and one Sc(6) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(3), and one Sc(7) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Sc(7) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(3), and one Sc(7) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(4), and one Sc(5) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Sc(3), one Sc(5), and one Sc(6) atom. In the seventh I site, I(7) is bonded in a distorted T-shaped geometry to one Sc(4), one Sc(5), and one Sc(7) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Sc(5), one Sc(6), and one Sc(7) atom. In the ninth I site, I(9) is bonded in a distorted T-shaped geometry to one Sc(4), one Sc(6), and one Sc(7) atom. In the tenth I site, I(10) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one Sc(4) atom. In the eleventh I site, I(11) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(3), and one Sc(5) atom. In the twelfth I site, I(12) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Sc(6) atom.
Sc7CI12 crystallizes in the triclinic P1 space group. There are seven inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one C(1), one I(1), one I(11), one I(12), one I(3), and one I(4) atom. The Sc(1)-C(1) bond length is 2.30 Å. The Sc(1)-I(1) bond length is 2.93 Å. The Sc(1)-I(11) bond length is 2.95 Å. The Sc(1)-I(12) bond length is 3.63 Å. The Sc(1)-I(3) bond length is 2.96 Å. The Sc(1)-I(4) bond length is 2.97 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one C(1), one I(10), one I(12), one I(2), one I(3), and one I(5) atom. The Sc(2)-C(1) bond length is 2.31 Å. The Sc(2)-I(10) bond length is 3.63 Å. The Sc(2)-I(12) bond length is 2.94 Å. The Sc(2)-I(2) bond length is 2.95 Å. The Sc(2)-I(3) bond length is 2.97 Å. The Sc(2)-I(5) bond length is 2.92 Å. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one C(1), one I(10), one I(11), one I(2), one I(4), and one I(6) atom. The Sc(3)-C(1) bond length is 2.31 Å. The Sc(3)-I(10) bond length is 2.95 Å. The Sc(3)-I(11) bond length is 3.64 Å. The Sc(3)-I(2) bond length is 2.96 Å. The Sc(3)-I(4) bond length is 2.95 Å. The Sc(3)-I(6) bond length is 2.92 Å. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to one C(1), one I(1), one I(10), one I(5), one I(7), and one I(9) atom. The Sc(4)-C(1) bond length is 2.29 Å. The Sc(4)-I(1) bond length is 2.90 Å. The Sc(4)-I(10) bond length is 2.89 Å. The Sc(4)-I(5) bond length is 3.61 Å. The Sc(4)-I(7) bond length is 2.96 Å. The Sc(4)-I(9) bond length is 2.97 Å. In the fifth Sc site, Sc(5) is bonded in a 6-coordinate geometry to one C(1), one I(11), one I(5), one I(6), one I(7), and one I(8) atom. The Sc(5)-C(1) bond length is 2.29 Å. The Sc(5)-I(11) bond length is 2.88 Å. The Sc(5)-I(5) bond length is 2.91 Å. The Sc(5)-I(6) bond length is 3.60 Å. The Sc(5)-I(7) bond length is 2.96 Å. The Sc(5)-I(8) bond length is 2.97 Å. In the sixth Sc site, Sc(6) is bonded in a 6-coordinate geometry to one C(1), one I(1), one I(12), one I(6), one I(8), and one I(9) atom. The Sc(6)-C(1) bond length is 2.28 Å. The Sc(6)-I(1) bond length is 3.60 Å. The Sc(6)-I(12) bond length is 2.89 Å. The Sc(6)-I(6) bond length is 2.91 Å. The Sc(6)-I(8) bond length is 2.98 Å. The Sc(6)-I(9) bond length is 2.97 Å. In the seventh Sc site, Sc(7) is bonded in an octahedral geometry to one I(2), one I(3), one I(4), one I(7), one I(8), and one I(9) atom. The Sc(7)-I(2) bond length is 2.87 Å. The Sc(7)-I(3) bond length is 2.88 Å. The Sc(7)-I(4) bond length is 2.88 Å. The Sc(7)-I(7) bond length is 3.00 Å. The Sc(7)-I(8) bond length is 3.00 Å. The Sc(7)-I(9) bond length is 3.01 Å. C(1) is bonded in an octahedral geometry to one Sc(1), one Sc(2), one Sc(3), one Sc(4), one Sc(5), and one Sc(6) atom. There are twelve inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(4), and one Sc(6) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(3), and one Sc(7) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Sc(7) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(3), and one Sc(7) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(4), and one Sc(5) atom. In the sixth I site, I(6) is bonded in a 3-coordinate geometry to one Sc(3), one Sc(5), and one Sc(6) atom. In the seventh I site, I(7) is bonded in a distorted T-shaped geometry to one Sc(4), one Sc(5), and one Sc(7) atom. In the eighth I site, I(8) is bonded in a distorted T-shaped geometry to one Sc(5), one Sc(6), and one Sc(7) atom. In the ninth I site, I(9) is bonded in a distorted T-shaped geometry to one Sc(4), one Sc(6), and one Sc(7) atom. In the tenth I site, I(10) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one Sc(4) atom. In the eleventh I site, I(11) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(3), and one Sc(5) atom. In the twelfth I site, I(12) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Sc(6) atom.