Mo3C8N2Se13 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo3C8N2Se13 clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(3), one Se(4), one Se(5), one Se(7), and one Se(9) atom. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one Se(6), one Se(8), one Se(9), two equivalent Se(1), and two equivalent Se(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(3), one C(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one N(1) atom. In the third C site, C(3) is bonded in a 4-coordinate geometry to one C(1), one C(2), one C(4), and one N(1) atom. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one C(1), one C(3), and one Se(8) atom. N(1) is bonded in a 3-coordinate geometry to one C(1), one C(2), and one C(3) atom. There are nine inequivalent Se sites. In the first Se site, Se(8) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent C(4), and one Se(6) atom. In the second Se site, Se(9) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Se(3) atom. In the fourth Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Se(4) atom. In the fifth Se site, Se(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Se(1) atom. In the sixth Se site, Se(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Se(2) atom. In the seventh Se site, Se(5) is bonded in a 2-coordinate geometry to one Mo(1) and one Se(7) atom. In the eighth Se site, Se(6) is bonded in a 2-coordinate geometry to one Mo(2) and one Se(8) atom. In the ninth Se site, Se(7) is bonded in a 2-coordinate geometry to one Mo(1) and one Se(5) atom.
Mo3C8N2Se13 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo3C8N2Se13 clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(3), one Se(4), one Se(5), one Se(7), and one Se(9) atom. The Mo(1)-Se(1) bond length is 2.63 Å. The Mo(1)-Se(2) bond length is 2.65 Å. The Mo(1)-Se(3) bond length is 2.56 Å. The Mo(1)-Se(4) bond length is 2.57 Å. The Mo(1)-Se(5) bond length is 2.64 Å. The Mo(1)-Se(7) bond length is 2.61 Å. The Mo(1)-Se(9) bond length is 2.53 Å. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one Se(6), one Se(8), one Se(9), two equivalent Se(1), and two equivalent Se(3) atoms. The Mo(2)-Se(6) bond length is 2.61 Å. The Mo(2)-Se(8) bond length is 2.75 Å. The Mo(2)-Se(9) bond length is 2.54 Å. Both Mo(2)-Se(1) bond lengths are 2.63 Å. Both Mo(2)-Se(3) bond lengths are 2.56 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(3), one C(4), and one N(1) atom. The C(1)-C(2) bond length is 1.54 Å. The C(1)-C(3) bond length is 1.73 Å. The C(1)-C(4) bond length is 1.44 Å. The C(1)-N(1) bond length is 1.50 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(3) bond length is 1.55 Å. The C(2)-N(1) bond length is 1.50 Å. In the third C site, C(3) is bonded in a 4-coordinate geometry to one C(1), one C(2), one C(4), and one N(1) atom. The C(3)-C(4) bond length is 1.45 Å. The C(3)-N(1) bond length is 1.50 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one C(1), one C(3), and one Se(8) atom. The C(4)-Se(8) bond length is 2.24 Å. N(1) is bonded in a 3-coordinate geometry to one C(1), one C(2), and one C(3) atom. There are nine inequivalent Se sites. In the first Se site, Se(8) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent C(4), and one Se(6) atom. The Se(8)-Se(6) bond length is 2.32 Å. In the second Se site, Se(9) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Se(3) atom. The Se(1)-Se(3) bond length is 2.32 Å. In the fourth Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Se(4) atom. The Se(2)-Se(4) bond length is 2.32 Å. In the fifth Se site, Se(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Se(1) atom. In the sixth Se site, Se(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Se(2) atom. In the seventh Se site, Se(5) is bonded in a 2-coordinate geometry to one Mo(1) and one Se(7) atom. The Se(5)-Se(7) bond length is 2.26 Å. In the eighth Se site, Se(6) is bonded in a 2-coordinate geometry to one Mo(2) and one Se(8) atom. In the ninth Se site, Se(7) is bonded in a 2-coordinate geometry to one Mo(1) and one Se(5) atom.