MoCu3C14H12(N3S2)2(C3H2)4 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight 2,3-dimethyl-1,3-butadiene molecules and two MoCu3C14H12(N3S2)2 clusters. In each MoCu3C14H12(N3S2)2 cluster, Mo(1) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one S(1), one S(2), and one S(3) atom. The Mo(1)-Cu(1) bond length is 2.71 Å. The Mo(1)-Cu(2) bond length is 2.70 Å. The Mo(1)-Cu(3) bond length is 2.68 Å. The Mo(1)-S(1) bond length is 2.27 Å. The Mo(1)-S(2) bond length is 2.26 Å. The Mo(1)-S(3) bond length is 2.27 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mo(1), one N(3), one N(6), one S(1), and one S(3) atom. The Cu(1)-N(3) bond length is 2.13 Å. The Cu(1)-N(6) bond length is 1.95 Å. The Cu(1)-S(1) bond length is 2.31 Å. The Cu(1)-S(3) bond length is 2.29 Å. In the second Cu site, Cu(2) is bonded to one Mo(1), one N(1), one N(4), one S(2), and one S(3) atom to form distorted edge-sharing CuMoS2N2 tetrahedra. The Cu(2)-N(1) bond length is 2.05 Å. The Cu(2)-N(4) bond length is 2.04 Å. The Cu(2)-S(2) bond length is 2.28 Å. The Cu(2)-S(3) bond length is 2.28 Å. In the third Cu site, Cu(3) is bonded to one Mo(1), one N(2), one N(5), one S(1), and one S(2) atom to form distorted edge-sharing CuMoS2N2 tetrahedra. The Cu(3)-N(2) bond length is 2.07 Å. The Cu(3)-N(5) bond length is 2.08 Å. The Cu(3)-S(1) bond length is 2.28 Å. The Cu(3)-S(2) bond length is 2.27 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(6) and one S(4) atom. The C(1)-N(6) bond length is 1.15 Å. The C(1)-S(4) bond length is 1.65 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.33 Å. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(4)-C(4) bond length is 1.49 Å. The C(4)-C(5) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-H(3) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(4) atom. The C(6)-N(1) bond length is 1.32 Å. The C(6)-H(4) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5) atom. The C(7)-N(2) bond length is 1.34 Å. The C(7)-H(5) bond length is 0.95 Å. In the eighth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(11)-N(2) bond length is 1.34 Å. The C(11)-H(8) bond length is 0.95 Å. In the ninth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(10) atom. The C(14)-N(3) bond length is 1.35 Å. The C(14)-H(10) bond length is 0.95 Å. In the tenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(11) atom. The C(15)-N(3) bond length is 1.32 Å. The C(15)-H(11) bond length is 0.95 Å. In the eleventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13) atom. The C(17)-N(4) bond length is 1.34 Å. The C(17)-H(13) bond length is 0.95 Å. In the twelfth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(16) atom. The C(21)-N(4) bond length is 1.34 Å. The C(21)-H(16) bond length is 0.95 Å. In the thirteenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(18) atom. The C(24)-N(5) bond length is 1.33 Å. The C(24)-H(18) bond length is 0.95 Å. In the fourteenth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(19) atom. The C(25)-N(5) bond length is 1.36 Å. The C(25)-H(19) bond length is 0.95 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(2), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one C(11), and one C(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(14), and one C(15) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(17), and one C(21) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(3), one C(24), and one C(25) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Cu(1) and one C(1) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the eleventh H site, H(18) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(19) is bonded in a single-bond geometry to one C(25) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(3) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Cu(2), and one Cu(3) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a single-bond geometry to one C(1) atom. Linkers: 8 c1cc(-c2ccncc2)ccn1. Metal clusters: 2 S=C=N[Cu@]12[S]3[Cu]4[S@]5[Cu]6[S]1[Mo]35462 ,6 [Cu] ,2 [Mo]. The MOF has largest included sphere 6.30 A, density 1.16 g/cm3, surface area 4173.40 m2/g, accessible volume 0.44 cm3/g