Te16(Mo3Ru)3 crystallizes in the triclinic P1 space group. There are nine inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(3), one Mo(5), one Mo(9), one Ru(2), one Te(14), one Te(16), one Te(2), one Te(6), and one Te(8) atom. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(4), one Mo(6), one Ru(1), one Ru(3), one Te(1), one Te(11), one Te(16), one Te(7), and one Te(9) atom. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(5), one Mo(7), one Ru(2), one Te(10), one Te(12), one Te(15), one Te(2), and one Te(8) atom. In the fourth Mo site, Mo(4) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(6), one Mo(8), one Ru(3), one Te(11), one Te(15), one Te(3), one Te(6), and one Te(7) atom. In the fifth Mo site, Mo(5) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Mo(7), one Mo(9), one Te(12), one Te(16), one Te(4), one Te(5), and one Te(8) atom. In the sixth Mo site, Mo(6) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(8), one Ru(1), one Te(11), one Te(13), one Te(3), one Te(7), and one Te(9) atom. In the seventh Mo site, Mo(7) is bonded in a 9-coordinate geometry to one Mo(3), one Mo(5), one Mo(9), one Ru(2), one Te(10), one Te(12), one Te(14), one Te(4), and one Te(8) atom. In the eighth Mo site, Mo(8) is bonded in a 9-coordinate geometry to one Mo(4), one Mo(6), one Ru(1), one Ru(3), one Te(10), one Te(13), one Te(15), one Te(3), and one Te(5) atom. In the ninth Mo site, Mo(9) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(5), one Mo(7), one Ru(2), one Te(14), one Te(16), one Te(4), one Te(6), and one Te(9) atom. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(6), one Mo(8), one Ru(3), one Te(1), one Te(12), one Te(13), one Te(5), and one Te(9) atom. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Mo(7), one Mo(9), one Te(10), one Te(11), one Te(14), one Te(2), and one Te(6) atom. In the third Ru site, Ru(3) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(8), one Ru(1), one Te(1), one Te(13), one Te(15), one Te(5), and one Te(7) atom. There are sixteen inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Mo(2), one Ru(1), and one Ru(3) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Ru(2) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(6), and one Mo(8) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one Mo(5), one Mo(7), and one Mo(9) atom. In the fifth Te site, Te(5) is bonded in a rectangular see-saw-like geometry to one Mo(5), one Mo(8), one Ru(1), and one Ru(3) atom. In the sixth Te site, Te(6) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(4), one Mo(9), and one Ru(2) atom. In the seventh Te site, Te(7) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Ru(3) atom. In the eighth Te site, Te(8) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Mo(5), and one Mo(7) atom. In the ninth Te site, Te(9) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(6), one Mo(9), and one Ru(1) atom. In the tenth Te site, Te(10) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(7), one Mo(8), and one Ru(2) atom. In the eleventh Te site, Te(11) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Ru(2) atom. In the twelfth Te site, Te(12) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(5), one Mo(7), and one Ru(1) atom. In the thirteenth Te site, Te(13) is bonded in a distorted rectangular see-saw-like geometry to one Mo(6), one Mo(8), one Ru(1), and one Ru(3) atom. In the fourteenth Te site, Te(14) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(7), one Mo(9), and one Ru(2) atom. In the fifteenth Te site, Te(15) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(4), one Mo(8), and one Ru(3) atom. In the sixteenth Te site, Te(16) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(2), one Mo(5), and one Mo(9) atom.
Te16(Mo3Ru)3 crystallizes in the triclinic P1 space group. There are nine inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(3), one Mo(5), one Mo(9), one Ru(2), one Te(14), one Te(16), one Te(2), one Te(6), and one Te(8) atom. The Mo(1)-Mo(3) bond length is 2.65 Å. The Mo(1)-Mo(5) bond length is 2.72 Å. The Mo(1)-Mo(9) bond length is 2.73 Å. The Mo(1)-Ru(2) bond length is 2.72 Å. The Mo(1)-Te(14) bond length is 2.92 Å. The Mo(1)-Te(16) bond length is 2.77 Å. The Mo(1)-Te(2) bond length is 2.74 Å. The Mo(1)-Te(6) bond length is 2.76 Å. The Mo(1)-Te(8) bond length is 2.81 Å. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(4), one Mo(6), one Ru(1), one Ru(3), one Te(1), one Te(11), one Te(16), one Te(7), and one Te(9) atom. The Mo(2)-Mo(4) bond length is 2.71 Å. The Mo(2)-Mo(6) bond length is 2.71 Å. The Mo(2)-Ru(1) bond length is 2.72 Å. The Mo(2)-Ru(3) bond length is 2.74 Å. The Mo(2)-Te(1) bond length is 2.70 Å. The Mo(2)-Te(11) bond length is 2.75 Å. The Mo(2)-Te(16) bond length is 2.85 Å. The Mo(2)-Te(7) bond length is 2.72 Å. The Mo(2)-Te(9) bond length is 2.82 Å. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(5), one Mo(7), one Ru(2), one Te(10), one Te(12), one Te(15), one Te(2), and one Te(8) atom. The Mo(3)-Mo(5) bond length is 2.77 Å. The Mo(3)-Mo(7) bond length is 2.70 Å. The Mo(3)-Ru(2) bond length is 2.73 Å. The Mo(3)-Te(10) bond length is 2.81 Å. The Mo(3)-Te(12) bond length is 2.76 Å. The Mo(3)-Te(15) bond length is 2.85 Å. The Mo(3)-Te(2) bond length is 2.71 Å. The Mo(3)-Te(8) bond length is 2.77 Å. In the fourth Mo site, Mo(4) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(6), one Mo(8), one Ru(3), one Te(11), one Te(15), one Te(3), one Te(6), and one Te(7) atom. The Mo(4)-Mo(6) bond length is 2.64 Å. The Mo(4)-Mo(8) bond length is 2.64 Å. The Mo(4)-Ru(3) bond length is 2.79 Å. The Mo(4)-Te(11) bond length is 2.85 Å. The Mo(4)-Te(15) bond length is 2.73 Å. The Mo(4)-Te(3) bond length is 2.75 Å. The Mo(4)-Te(6) bond length is 2.83 Å. The Mo(4)-Te(7) bond length is 2.70 Å. In the fifth Mo site, Mo(5) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Mo(7), one Mo(9), one Te(12), one Te(16), one Te(4), one Te(5), and one Te(8) atom. The Mo(5)-Mo(7) bond length is 2.63 Å. The Mo(5)-Mo(9) bond length is 2.72 Å. The Mo(5)-Te(12) bond length is 2.82 Å. The Mo(5)-Te(16) bond length is 2.73 Å. The Mo(5)-Te(4) bond length is 2.75 Å. The Mo(5)-Te(5) bond length is 2.85 Å. The Mo(5)-Te(8) bond length is 2.74 Å. In the sixth Mo site, Mo(6) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(8), one Ru(1), one Te(11), one Te(13), one Te(3), one Te(7), and one Te(9) atom. The Mo(6)-Mo(8) bond length is 2.66 Å. The Mo(6)-Ru(1) bond length is 2.76 Å. The Mo(6)-Te(11) bond length is 2.76 Å. The Mo(6)-Te(13) bond length is 2.84 Å. The Mo(6)-Te(3) bond length is 2.73 Å. The Mo(6)-Te(7) bond length is 2.83 Å. The Mo(6)-Te(9) bond length is 2.73 Å. In the seventh Mo site, Mo(7) is bonded in a 9-coordinate geometry to one Mo(3), one Mo(5), one Mo(9), one Ru(2), one Te(10), one Te(12), one Te(14), one Te(4), and one Te(8) atom. The Mo(7)-Mo(9) bond length is 2.67 Å. The Mo(7)-Ru(2) bond length is 2.74 Å. The Mo(7)-Te(10) bond length is 2.74 Å. The Mo(7)-Te(12) bond length is 2.78 Å. The Mo(7)-Te(14) bond length is 2.83 Å. The Mo(7)-Te(4) bond length is 2.77 Å. The Mo(7)-Te(8) bond length is 2.92 Å. In the eighth Mo site, Mo(8) is bonded in a 9-coordinate geometry to one Mo(4), one Mo(6), one Ru(1), one Ru(3), one Te(10), one Te(13), one Te(15), one Te(3), and one Te(5) atom. The Mo(8)-Ru(1) bond length is 2.75 Å. The Mo(8)-Ru(3) bond length is 2.77 Å. The Mo(8)-Te(10) bond length is 2.88 Å. The Mo(8)-Te(13) bond length is 2.76 Å. The Mo(8)-Te(15) bond length is 2.81 Å. The Mo(8)-Te(3) bond length is 2.73 Å. The Mo(8)-Te(5) bond length is 2.70 Å. In the ninth Mo site, Mo(9) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(5), one Mo(7), one Ru(2), one Te(14), one Te(16), one Te(4), one Te(6), and one Te(9) atom. The Mo(9)-Ru(2) bond length is 2.78 Å. The Mo(9)-Te(14) bond length is 2.74 Å. The Mo(9)-Te(16) bond length is 2.83 Å. The Mo(9)-Te(4) bond length is 2.72 Å. The Mo(9)-Te(6) bond length is 2.70 Å. The Mo(9)-Te(9) bond length is 2.87 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(6), one Mo(8), one Ru(3), one Te(1), one Te(12), one Te(13), one Te(5), and one Te(9) atom. The Ru(1)-Ru(3) bond length is 2.74 Å. The Ru(1)-Te(1) bond length is 2.65 Å. The Ru(1)-Te(12) bond length is 2.82 Å. The Ru(1)-Te(13) bond length is 2.70 Å. The Ru(1)-Te(5) bond length is 2.69 Å. The Ru(1)-Te(9) bond length is 2.70 Å. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Mo(7), one Mo(9), one Te(10), one Te(11), one Te(14), one Te(2), and one Te(6) atom. The Ru(2)-Te(10) bond length is 2.70 Å. The Ru(2)-Te(11) bond length is 2.80 Å. The Ru(2)-Te(14) bond length is 2.68 Å. The Ru(2)-Te(2) bond length is 2.68 Å. The Ru(2)-Te(6) bond length is 2.72 Å. In the third Ru site, Ru(3) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(8), one Ru(1), one Te(1), one Te(13), one Te(15), one Te(5), and one Te(7) atom. The Ru(3)-Te(1) bond length is 2.64 Å. The Ru(3)-Te(13) bond length is 2.81 Å. The Ru(3)-Te(15) bond length is 2.70 Å. The Ru(3)-Te(5) bond length is 2.66 Å. The Ru(3)-Te(7) bond length is 2.74 Å. There are sixteen inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Mo(2), one Ru(1), and one Ru(3) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Ru(2) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(6), and one Mo(8) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one Mo(5), one Mo(7), and one Mo(9) atom. In the fifth Te site, Te(5) is bonded in a rectangular see-saw-like geometry to one Mo(5), one Mo(8), one Ru(1), and one Ru(3) atom. In the sixth Te site, Te(6) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(4), one Mo(9), and one Ru(2) atom. In the seventh Te site, Te(7) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Ru(3) atom. In the eighth Te site, Te(8) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Mo(5), and one Mo(7) atom. In the ninth Te site, Te(9) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(6), one Mo(9), and one Ru(1) atom. In the tenth Te site, Te(10) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(7), one Mo(8), and one Ru(2) atom. In the eleventh Te site, Te(11) is bonded in a rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Ru(2) atom. In the twelfth Te site, Te(12) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(5), one Mo(7), and one Ru(1) atom. In the thirteenth Te site, Te(13) is bonded in a distorted rectangular see-saw-like geometry to one Mo(6), one Mo(8), one Ru(1), and one Ru(3) atom. In the fourteenth Te site, Te(14) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(7), one Mo(9), and one Ru(2) atom. In the fifteenth Te site, Te(15) is bonded in a rectangular see-saw-like geometry to one Mo(3), one Mo(4), one Mo(8), and one Ru(3) atom. In the sixteenth Te site, Te(16) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(2), one Mo(5), and one Mo(9) atom.