CuC20H14(NO2)2(C4H3)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two 2,5-dimethyl-1,3,5-hexatriene molecules and two CuC20H14(NO2)2 clusters. In each CuC20H14(NO2)2 cluster, Cu(1) is bonded in a 6-coordinate geometry to one N(2), one N(3), one O(2), one O(3), one O(6), and one O(7) atom. The Cu(1)-N(2) bond length is 1.99 Å. The Cu(1)-N(3) bond length is 1.99 Å. The Cu(1)-O(2) bond length is 2.03 Å. The Cu(1)-O(3) bond length is 2.01 Å. The Cu(1)-O(6) bond length is 2.43 Å. The Cu(1)-O(7) bond length is 2.58 Å. There are twenty inequivalent C sites. In the first C site, C(1,2) is bonded in a distorted single-bond geometry to one C(35) and one H(1) atom. The C(1,2)-C(35) bond length is 1.41 Å. The C(1,2)-H(1) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(25,26); one C(45,46); and one H(3,4) atom. The C(4)-C(25,26) bond length is 1.35 Å. The C(4)-C(45,46) bond length is 1.45 Å. The C(4)-H(3,4) bond length is 1.10 Å. In the third C site, C(6) is bonded in a trigonal planar geometry to one C(29,30); one C(33,34); and one C(39,40) atom. The C(6)-C(29,30) bond length is 1.50 Å. The C(6)-C(33,34) bond length is 1.41 Å. The C(6)-C(39,40) bond length is 1.40 Å. In the fourth C site, C(7,8) is bonded in a distorted trigonal planar geometry to one N(1) and one H(5,6) atom. The C(7,8)-N(1) bond length is 1.35 Å. The C(7,8)-H(5,6) bond length is 1.09 Å. In the fifth C site, C(11) is bonded in a trigonal planar geometry to one C(17,18); one C(19); and one C(55,56) atom. The C(11)-C(17,18) bond length is 1.40 Å. The C(11)-C(19) bond length is 1.49 Å. The C(11)-C(55,56) bond length is 1.41 Å. In the sixth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(11,12) atom. The C(15)-N(3) bond length is 1.35 Å. The C(15)-H(11,12) bond length is 1.09 Å. In the seventh C site, C(17,18) is bonded in a distorted single-bond geometry to one C(11) and one H(13) atom. The C(17,18)-H(13) bond length is 1.09 Å. In the eighth C site, C(19) is bonded in a bent 120 degrees geometry to one C(11), one O(3), and one O(7) atom. The C(19)-O(3) bond length is 1.30 Å. The C(19)-O(7) bond length is 1.26 Å. In the ninth C site, C(24) is bonded in a distorted single-bond geometry to one C(45,46) and one H(17,18) atom. The C(24)-C(45,46) bond length is 1.41 Å. The C(24)-H(17,18) bond length is 1.09 Å. In the tenth C site, C(25,26) is bonded in a distorted single-bond geometry to one C(3), one C(35), and one H(19) atom. The C(25,26)-C(3) bond length is 1.35 Å. The C(25,26)-C(35) bond length is 1.45 Å. The C(25,26)-H(19) bond length is 1.09 Å. In the eleventh C site, C(29,30) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(1), and one O(5) atom. The C(29,30)-C(5) bond length is 1.50 Å. The C(29,30)-O(1) bond length is 1.30 Å. The C(29,30)-O(5) bond length is 1.26 Å. In the twelfth C site, C(33,34) is bonded in a distorted single-bond geometry to one C(5) and one H(23,24) atom. The C(33,34)-C(5) bond length is 1.41 Å. The C(33,34)-H(23,24) bond length is 1.09 Å. In the thirteenth C site, C(36) is bonded in a trigonal planar geometry to one C(1,2); one C(25,26); and one C(53,54) atom. The C(36)-C(1,2) bond length is 1.41 Å. The C(36)-C(25,26) bond length is 1.45 Å. The C(36)-C(53,54) bond length is 1.41 Å. In the fourteenth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(53,54); one N(2); and one H(25,26) atom. The C(38)-C(53,54) bond length is 1.39 Å. The C(38)-N(2) bond length is 1.34 Å. The C(38)-H(25,26) bond length is 1.09 Å. In the fifteenth C site, C(39,40) is bonded in a distorted single-bond geometry to one C(5) and one H(27,28) atom. The C(39,40)-C(5) bond length is 1.40 Å. The C(39,40)-H(27,28) bond length is 1.09 Å. In the sixteenth C site, C(44) is bonded in a single-bond geometry to one C(45,46) and one H(31,32) atom. The C(44)-C(45,46) bond length is 1.41 Å. The C(44)-H(31,32) bond length is 1.09 Å. In the seventeenth C site, C(45,46) is bonded in a trigonal planar geometry to one C(23), one C(3), and one C(43) atom. The C(45,46)-C(23) bond length is 1.41 Å. The C(45,46)-C(3) bond length is 1.45 Å. The C(45,46)-C(43) bond length is 1.41 Å. In the eighteenth C site, C(49) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(35,36) atom. The C(49)-N(3) bond length is 1.35 Å. The C(49)-H(35,36) bond length is 1.09 Å. In the nineteenth C site, C(53,54) is bonded in a distorted single-bond geometry to one C(35), one C(37), and one H(37) atom. The C(53,54)-C(35) bond length is 1.41 Å. The C(53,54)-C(37) bond length is 1.39 Å. The C(53,54)-H(37) bond length is 1.09 Å. In the twentieth C site, C(55,56) is bonded in a distorted single-bond geometry to one C(11) and one H(39) atom. The C(55,56)-H(39) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Cu(1); one C(38); and one C(7,8) atom. The N(2)-C(7,8) bond length is 1.35 Å. In the second N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(15), and one C(49) atom. There are fourteen inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(1,2) atom. The H(2)-C(1,2) bond length is 1.09 Å. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(3) atom. The H(3,4)-C(3) bond length is 1.10 Å. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(7,8) atom. In the fourth H site, H(11,12) is bonded in a single-bond geometry to one C(15) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(17,18) atom. In the sixth H site, H(17,18) is bonded in a single-bond geometry to one C(23) atom. The H(17,18)-C(23) bond length is 1.09 Å. In the seventh H site, H(20) is bonded in a single-bond geometry to one C(25,26) atom. The H(20)-C(25,26) bond length is 1.09 Å. In the eighth H site, H(23,24) is bonded in a single-bond geometry to one C(33,34) atom. In the ninth H site, H(25,26) is bonded in a single-bond geometry to one C(37) atom. The H(25,26)-C(37) bond length is 1.09 Å. In the tenth H site, H(27,28) is bonded in a single-bond geometry to one C(39,40) atom. In the eleventh H site, H(31,32) is bonded in a single-bond geometry to one C(43) atom. The H(31,32)-C(43) bond length is 1.09 Å. In the twelfth H site, H(35,36) is bonded in a single-bond geometry to one C(49) atom. In the thirteenth H site, H(38) is bonded in a single-bond geometry to one C(53,54) atom. The H(38)-C(53,54) bond length is 1.09 Å. In the fourteenth H site, H(39) is bonded in a single-bond geometry to one C(55,56) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a water-like geometry to one Cu(1) and one C(29,30) atom. The O(2)-C(29,30) bond length is 1.30 Å. In the second O site, O(3) is bonded in a water-like geometry to one Cu(1) and one C(19) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to one Cu(1) and one C(29,30) atom. The O(6)-C(29,30) bond length is 1.26 Å. In the fourth O site, O(7) is bonded in a single-bond geometry to one Cu(1) and one C(19) atom. Linkers: 3 [O]C(=O)c1ccc(/C=C/c2ccncc2)cc1. Metal clusters: 2 [Cu]. The MOF has largest included sphere 4.33 A, density 1.24 g/cm3, surface area 5190.45 m2/g, accessible volume 0.26 cm3/g