Cu3C42N9H38O8C3H2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 2,3-dimethyl-1,3-butadiene molecules and eight Cu3C42N9H38O8 clusters. In each Cu3C42N9H38O8 cluster, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one N(2), one N(4), one N(7), and one O(8) atom. The Cu(1)-N(2) bond length is 2.06 Å. The Cu(1)-N(4) bond length is 2.04 Å. The Cu(1)-N(7) bond length is 2.03 Å. The Cu(1)-O(8) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(5), one O(2), and one O(5) atom. The Cu(2)-N(1) bond length is 2.05 Å. The Cu(2)-N(3) bond length is 2.05 Å. The Cu(2)-N(5) bond length is 2.03 Å. The Cu(2)-O(2) bond length is 2.25 Å. The Cu(2)-O(5) bond length is 1.99 Å. In the third Cu site, Cu(3) is bonded in an octahedral geometry to one N(6), one N(8), one N(9), one O(1), one O(3), and one O(7) atom. The Cu(3)-N(6) bond length is 2.00 Å. The Cu(3)-N(8) bond length is 2.03 Å. The Cu(3)-N(9) bond length is 2.15 Å. The Cu(3)-O(1) bond length is 1.99 Å. The Cu(3)-O(3) bond length is 2.22 Å. The Cu(3)-O(7) bond length is 2.32 Å. There are forty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(8) bond length is 1.50 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.32 Å. The C(5)-H(4) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one H(5) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-N(2) bond length is 1.31 Å. The C(6)-H(5) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one H(6) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(6) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(9)-H(7) bond length is 0.93 Å. In the tenth 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 1.34 Å. The C(10)-H(8) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9) atom. The C(11)-N(3) bond length is 1.31 Å. The C(11)-H(9) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(10) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(18) bond length is 1.47 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(11) atom. The C(14)-C(15) bond length is 1.36 Å. The C(14)-H(11) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(3), and one H(12) atom. The C(15)-N(3) bond length is 1.36 Å. The C(15)-H(12) bond length is 0.93 Å. In the sixteenth 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 1.36 Å. The C(16)-H(13) bond length is 0.93 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(18) and one H(14) atom. The C(17)-C(18) bond length is 1.37 Å. The C(17)-H(14) bond length is 0.93 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(19) atom. The C(18)-C(19) bond length is 1.42 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one H(15) atom. The C(19)-H(15) bond length is 0.93 Å. In the twentieth 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 1.34 Å. The C(20)-H(16) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(17) atom. The C(21)-N(5) bond length is 1.32 Å. The C(21)-H(17) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(23) and one H(18) atom. The C(22)-C(23) bond length is 1.35 Å. The C(22)-H(18) bond length is 0.93 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(33) atom. The C(23)-C(24) bond length is 1.41 Å. The C(23)-C(33) bond length is 1.47 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(23) and one H(19) atom. The C(24)-H(19) bond length is 0.93 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(20) atom. The C(25)-N(5) bond length is 1.32 Å. The C(25)-H(20) bond length is 0.93 Å. In the twenty-sixth 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 1.32 Å. The C(26)-H(21) bond length is 0.93 Å. In the twenty-seventh 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 1.32 Å. The C(30)-H(24) bond length is 0.93 Å. In the twenty-eighth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(25) atom. The C(31)-N(7) bond length is 1.34 Å. The C(31)-H(25) bond length is 0.93 Å. In the twenty-ninth C site, C(32) is bonded in a distorted single-bond geometry to one C(33) and one H(26) atom. The C(32)-C(33) bond length is 1.37 Å. The C(32)-H(26) bond length is 0.93 Å. In the thirtieth C site, C(33) is bonded in a trigonal planar geometry to one C(23), one C(32), and one C(34) atom. The C(33)-C(34) bond length is 1.40 Å. In the thirty-first C site, C(34) is bonded in a distorted trigonal planar geometry to one C(33), one C(35), and one H(27) atom. The C(34)-C(35) bond length is 1.36 Å. The C(34)-H(27) bond length is 0.93 Å. In the thirty-second C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(34), one N(7), and one H(28) atom. The C(35)-N(7) bond length is 1.32 Å. The C(35)-H(28) bond length is 0.93 Å. In the thirty-third C site, C(36) is bonded in a 3-coordinate geometry to one N(9) and two equivalent H(29,30) atoms. The C(36)-N(9) bond length is 1.50 Å. Both C(36)-H(29,30) bond lengths are 0.97 Å. In the thirty-fourth C site, C(37) is bonded in a 3-coordinate geometry to one N(8) and two equivalent H(31,32) atoms. The C(37)-N(8) bond length is 1.48 Å. Both C(37)-H(31,32) bond lengths are 0.97 Å. In the thirty-fifth C site, C(38) is bonded in a 3-coordinate geometry to one N(8) and two equivalent H(33,34) atoms. The C(38)-N(8) bond length is 1.47 Å. Both C(38)-H(33,34) bond lengths are 0.97 Å. In the thirty-sixth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(39)-O(1) bond length is 1.26 Å. The C(39)-O(2) bond length is 1.26 Å. In the thirty-seventh C site, C(40) is bonded in a 3-coordinate geometry to one N(8) and two equivalent H(35,36) atoms. The C(40)-N(8) bond length is 1.52 Å. Both C(40)-H(35,36) bond lengths are 0.97 Å. In the thirty-eighth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(41)-O(3) bond length is 1.25 Å. The C(41)-O(4) bond length is 1.24 Å. In the thirty-ninth C site, C(42) is bonded in a 3-coordinate geometry to one N(9) and two equivalent H(37,38) atoms. The C(42)-N(9) bond length is 1.47 Å. Both C(42)-H(37,38) bond lengths are 0.97 Å. In the fortieth C site, C(43) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(43)-O(5) bond length is 1.27 Å. The C(43)-O(6) bond length is 1.23 Å. In the forty-first C site, C(44) is bonded in a 3-coordinate geometry to one N(9), one H(39), and one H(40) atom. The C(44)-N(9) bond length is 1.49 Å. The C(44)-H(39) bond length is 0.97 Å. The C(44)-H(40) bond length is 0.97 Å. In the forty-second C site, C(45) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(45)-O(7) bond length is 1.25 Å. The C(45)-O(8) bond length is 1.26 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), 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(1), 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(2), one C(11), and one C(15) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), 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(2), one C(21), and one C(25) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(3), 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(1), one C(31), and one C(35) atom. In the eighth N site, N(8) is bonded to one Cu(3), one C(37), one C(38), and one C(40) atom to form corner-sharing NCuC3 tetrahedra. In the ninth N site, N(9) is bonded to one Cu(3), one C(36), one C(42), and one C(44) atom to form corner-sharing NCuC3 tetrahedra. There are thirty-three 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(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(17) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(24) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(25) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(26) atom. In the twenty-second H site, H(24) is bonded in a single-bond geometry to one C(30) atom. In the twenty-third H site, H(25) is bonded in a single-bond geometry to one C(31) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(32) atom. In the twenty-fifth H site, H(27) is bonded in a single-bond geometry to one C(34) atom. In the twenty-sixth H site, H(28) is bonded in a single-bond geometry to one C(35) atom. In the twenty-seventh H site, H(29,30) is bonded in a single-bond geometry to one C(36) atom. In the twenty-eighth H site, H(31,32) is bonded in a single-bond geometry to one C(37) atom. In the twenty-ninth H site, H(33,34) is bonded in a single-bond geometry to one C(38) atom. In the thirtieth H site, H(35,36) is bonded in a single-bond geometry to one C(40) atom. In the thirty-first H site, H(37,38) is bonded in a single-bond geometry to one C(42) atom. In the thirty-second H site, H(39) is bonded in a single-bond geometry to one C(44) atom. In the thirty-third H site, H(40) is bonded in a single-bond geometry to one C(44) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(39) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(39) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(3) and one C(41) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(41) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(2) and one C(43) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(43) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(3) and one C(45) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(45) atom. Linkers: 14 c1cc(-c2ccncc2)ccn1 ,3 [O]C(=O)CN(CCN(CC([O])=O)CC([O])=O)CC([O])=O. Metal clusters: 12 [Cu]. The MOF has largest included sphere 6.75 A, density 1.02 g/cm3, surface area 4488.81 m2/g, accessible volume 0.49 cm3/g