Mo2Cu6C23N11H20S8(C3H2)8 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight 2,3-dimethyl-1,3-butadiene molecules and one Mo2Cu6C23N11H20S8 cluster. In the Mo2Cu6C23N11H20S8 cluster, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. 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. In the second Mo site, Mo(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one Cu(5), one Cu(6), one S(4), one S(5), and one S(6) atom. The Mo(2)-Cu(4) bond length is 2.70 Å. The Mo(2)-Cu(5) bond length is 2.67 Å. The Mo(2)-Cu(6) bond length is 2.69 Å. The Mo(2)-S(4) bond length is 2.27 Å. The Mo(2)-S(5) bond length is 2.24 Å. The Mo(2)-S(6) bond length is 2.26 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one N(5), one S(1), and one S(2) atom to form distorted corner-sharing CuS2N2 tetrahedra. The Cu(1)-N(1) bond length is 2.06 Å. The Cu(1)-N(5) bond length is 2.11 Å. The Cu(1)-S(1) bond length is 2.23 Å. The Cu(1)-S(2) bond length is 2.27 Å. In the second Cu site, Cu(2) is bonded to one N(7), one N(9), one S(1), and one S(3) atom to form distorted corner-sharing CuS2N2 tetrahedra. The Cu(2)-N(7) bond length is 2.01 Å. The Cu(2)-N(9) bond length is 2.07 Å. The Cu(2)-S(1) bond length is 2.27 Å. The Cu(2)-S(3) bond length is 2.26 Å. In the third Cu site, Cu(3) is bonded to one N(10), one N(3), one S(2), and one S(3) atom to form distorted corner-sharing CuS2N2 tetrahedra. The Cu(3)-N(10) bond length is 1.96 Å. The Cu(3)-N(3) bond length is 2.12 Å. The Cu(3)-S(2) bond length is 2.30 Å. The Cu(3)-S(3) bond length is 2.29 Å. In the fourth Cu site, Cu(4) is bonded to one Mo(2), one N(11), one N(2), one S(4), and one S(5) atom to form distorted CuMoS2N2 tetrahedra that share  an edgeedge with one Cu(5)MoS2N2 tetrahedra and  an edgeedge with one Cu(6)MoS3N tetrahedra. The Cu(4)-N(11) bond length is 1.96 Å. The Cu(4)-N(2) bond length is 2.09 Å. The Cu(4)-S(4) bond length is 2.28 Å. The Cu(4)-S(5) bond length is 2.27 Å. In the fifth Cu site, Cu(5) is bonded to one Mo(2), one N(4), one N(6), one S(4), and one S(6) atom to form distorted CuMoS2N2 tetrahedra that share  an edgeedge with one Cu(4)MoS2N2 tetrahedra and  an edgeedge with one Cu(6)MoS3N tetrahedra. The Cu(5)-N(4) bond length is 2.07 Å. The Cu(5)-N(6) bond length is 2.05 Å. The Cu(5)-S(4) bond length is 2.24 Å. The Cu(5)-S(6) bond length is 2.28 Å. In the sixth Cu site, Cu(6) is bonded to one Mo(2), one N(8), one S(5), one S(6), and one S(7) atom to form distorted edge-sharing CuMoS3N tetrahedra. The Cu(6)-N(8) bond length is 2.02 Å. The Cu(6)-S(5) bond length is 2.28 Å. The Cu(6)-S(6) bond length is 2.28 Å. The Cu(6)-S(7) bond length is 2.35 Å. There are twenty-three inequivalent C sites. In the first C site, C(43) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(34) atom. The C(43)-N(9) bond length is 1.35 Å. The C(43)-H(34) bond length is 0.95 Å. In the second C site, C(44) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(35) atom. The C(44)-N(9) bond length is 1.35 Å. The C(44)-H(35) bond length is 0.95 Å. In the third C site, C(46) is bonded in a single-bond geometry to one N(10) and one S(7) atom. The C(46)-N(10) bond length is 1.19 Å. The C(46)-S(7) bond length is 1.60 Å. In the fourth C site, C(47) is bonded in a distorted single-bond geometry to one N(11) and one S(8) atom. The C(47)-N(11) bond length is 1.11 Å. The C(47)-S(8) bond length is 1.68 Å. In the fifth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.47 Å. The C(1)-H(1) bond length is 0.94 Å. In the sixth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-H(2) bond length is 0.95 Å. In the seventh C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(3)-C(3) bond length is 1.65 Å. The C(3)-C(4) bond length is 1.37 Å. In the eighth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.95 Å. In the ninth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.24 Å. The C(5)-H(4) bond length is 0.95 Å. In the tenth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5) atom. The C(6)-N(2) bond length is 1.32 Å. The C(6)-H(5) bond length is 0.95 Å. In the eleventh C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(10)-N(2) bond length is 1.31 Å. The C(10)-H(8) bond length is 0.95 Å. In the twelfth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(10) atom. The C(13)-N(3) bond length is 1.31 Å. The C(13)-H(10) bond length is 0.95 Å. In the thirteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(11) atom. The C(14)-N(3) bond length is 1.27 Å. The C(14)-H(11) bond length is 0.95 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13) atom. The C(16)-N(4) bond length is 1.37 Å. The C(16)-H(13) bond length is 0.95 Å. In the fifteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(16) atom. The C(20)-N(4) bond length is 1.31 Å. The C(20)-H(16) bond length is 0.95 Å. In the sixteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(18) atom. The C(23)-N(5) bond length is 1.27 Å. The C(23)-H(18) bond length is 0.95 Å. In the seventeenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(19) atom. The C(24)-N(5) bond length is 1.34 Å. The C(24)-H(19) bond length is 0.95 Å. In the eighteenth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(21) atom. The C(26)-N(6) bond length is 1.36 Å. The C(26)-H(21) bond length is 0.95 Å. In the nineteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(24) atom. The C(30)-N(6) bond length is 1.36 Å. The C(30)-H(24) bond length is 0.95 Å. In the twentieth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(26) atom. The C(33)-N(7) bond length is 1.34 Å. The C(33)-H(26) bond length is 0.95 Å. In the twenty-first C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(27) atom. The C(34)-N(7) bond length is 1.33 Å. The C(34)-H(27) bond length is 0.95 Å. In the twenty-second C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(29) atom. The C(36)-N(8) bond length is 1.38 Å. The C(36)-H(29) bond length is 0.95 Å. In the twenty-third C site, C(40) is bonded in a 2-coordinate geometry to one N(8) and one H(32) atom. The C(40)-N(8) bond length is 1.34 Å. The C(40)-H(32) bond length is 0.95 Å. There are eleven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(4), one C(10), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(13), and one C(14) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(5), one C(16), and one C(20) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(23), and one C(24) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(5), one C(26), and one C(30) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(2), one C(33), and one C(34) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(6), one C(36), and one C(40) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cu(2), one C(43), and one C(44) atom. In the tenth N site, N(10) is bonded in a linear geometry to one Cu(3) and one C(46) atom. In the eleventh N site, N(11) is bonded in a linear geometry to one Cu(4) and one C(47) atom. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(18) is bonded in a single-bond geometry to one C(23) atom. In the twelfth H site, H(19) is bonded in a single-bond geometry to one C(24) atom. In the thirteenth H site, H(21) is bonded in a single-bond geometry to one C(26) atom. In the fourteenth H site, H(24) is bonded in a single-bond geometry to one C(30) atom. In the fifteenth H site, H(26) is bonded in a single-bond geometry to one C(33) atom. In the sixteenth H site, H(27) is bonded in a single-bond geometry to one C(34) atom. In the seventeenth H site, H(29) is bonded in a single-bond geometry to one C(36) atom. In the eighteenth H site, H(32) is bonded in a single-bond geometry to one C(40) atom. In the nineteenth H site, H(34) is bonded in a single-bond geometry to one C(43) atom. In the twentieth H site, H(35) is bonded in a single-bond geometry to one C(44) atom. There are eight 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(2) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Cu(1), 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(2), and one Cu(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(4), and one Cu(5) atom. In the fifth S site, S(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Cu(4), and one Cu(6) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(5), and one Cu(6) atom. In the seventh S site, S(7) is bonded in a distorted water-like geometry to one Cu(6) and one C(46) atom. In the eighth S site, S(8) is bonded in a single-bond geometry to one C(47) atom. Linkers: 9 c1cc(-c2ccncc2)ccn1. Metal clusters: 1 S=C=N[Cu@@]12[S]3[Cu]4[S]5[Cu@]6(S[C][N][Cu@]78[S]9[Cu]%10[S@]%11[Cu]%12[S]7[Mo]9%11%10%128)[S]1[Mo]35426 ,1 S=C=N[Cu@]12[S]3[Cu]4[S]5[Cu@@]6(S[C][N][Cu@]78[S]9[Cu]%10[S@]%11[Cu]%12[S]7[Mo]9%11%10%128)[S]1[Mo]35426. The MOF has largest included sphere 9.57 A, density 0.93 g/cm3, surface area 3956.57 m2/g, accessible volume 0.76 cm3/g