ScN2H6Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ScN2H6Cl3 clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form edge-sharing ScNCl5 octahedra. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one Cl(1), one Cl(3), and one Cl(4) atom to form edge-sharing ScN3Cl3 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one H(11), one H(4), and one H(7) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(1), one H(6), and one H(9) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(12), one H(3), and one H(5) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(10), one H(2), and one H(8) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Sc(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Sc(1) atom.
ScN2H6Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ScN2H6Cl3 clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form edge-sharing ScNCl5 octahedra. The Sc(1)-N(1) bond length is 2.27 Å. The Sc(1)-Cl(1) bond length is 2.57 Å. The Sc(1)-Cl(2) bond length is 2.43 Å. The Sc(1)-Cl(3) bond length is 2.59 Å. The Sc(1)-Cl(5) bond length is 2.47 Å. The Sc(1)-Cl(6) bond length is 2.48 Å. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one Cl(1), one Cl(3), and one Cl(4) atom to form edge-sharing ScN3Cl3 octahedra. The Sc(2)-N(2) bond length is 2.29 Å. The Sc(2)-N(3) bond length is 2.30 Å. The Sc(2)-N(4) bond length is 2.30 Å. The Sc(2)-Cl(1) bond length is 2.50 Å. The Sc(2)-Cl(3) bond length is 2.55 Å. The Sc(2)-Cl(4) bond length is 2.38 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one H(11), one H(4), and one H(7) atom. The N(1)-H(11) bond length is 1.03 Å. The N(1)-H(4) bond length is 1.03 Å. The N(1)-H(7) bond length is 1.03 Å. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(1), one H(6), and one H(9) atom. The N(2)-H(1) bond length is 1.03 Å. The N(2)-H(6) bond length is 1.03 Å. The N(2)-H(9) bond length is 1.03 Å. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(12), one H(3), and one H(5) atom. The N(3)-H(12) bond length is 1.03 Å. The N(3)-H(3) bond length is 1.03 Å. The N(3)-H(5) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Sc(2), one H(10), one H(2), and one H(8) atom. The N(4)-H(10) bond length is 1.03 Å. The N(4)-H(2) bond length is 1.03 Å. The N(4)-H(8) bond length is 1.03 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(3) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Sc(1) and one Sc(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Sc(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Sc(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Sc(1) atom.