CuC12H7(NO2)3(C4H3)2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen isobutylene molecules and four CuC12H7(NO2)3 clusters. In each CuC12H7(NO2)3 cluster, Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(2), one O(1), one O(2), and one O(3) atom. The Cu(1)-N(1) bond length is 2.01 Å. The Cu(1)-N(2) bond length is 2.01 Å. The Cu(1)-O(1) bond length is 2.29 Å. The Cu(1)-O(2) bond length is 1.95 Å. The Cu(1)-O(3) bond length is 1.96 Å. There are twelve inequivalent C sites. In the first C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one N(3) atom. The C(18)-C(17) bond length is 1.39 Å. The C(18)-N(3) bond length is 1.47 Å. In the second C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(20) atom. The C(17)-C(16) bond length is 1.38 Å. The C(17)-C(20) bond length is 1.52 Å. In the third C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(3), and one O(4) atom. The C(20)-O(3) bond length is 1.27 Å. The C(20)-O(4) bond length is 1.22 Å. In the fourth C site, C(19) is bonded in a distorted single-bond geometry to one C(14) and one H(13) atom. The C(19)-C(14) bond length is 1.38 Å. The C(19)-H(13) bond length is 0.95 Å. In the fifth 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 0.95 Å. In the sixth 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 1.34 Å. The C(5)-H(4) bond length is 0.95 Å. In the seventh 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 1.33 Å. The C(10)-H(8) 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(9) atom. The C(11)-N(2) bond length is 1.34 Å. The C(11)-H(9) bond length is 0.95 Å. In the ninth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(1), and one O(2) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-O(1) bond length is 1.24 Å. The C(13)-O(2) bond length is 1.27 Å. In the tenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(19) atom. The C(14)-C(15) bond length is 1.39 Å. In the eleventh C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(11) atom. The C(15)-H(11) bond length is 0.95 Å. In the twelfth C site, C(16) is bonded in a distorted single-bond geometry to one C(17) and one H(12) atom. The C(16)-H(12) bond length is 0.95 Å. There are three 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(1), one C(10), and one C(11) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(18), one O(5), and one O(6) atom. The N(3)-O(5) bond length is 1.23 Å. The N(3)-O(6) bond length is 1.22 Å. There are seven 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(4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(19) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(13) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(13) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(20) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(20) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one N(3) atom. Linkers: 8 C(=C/c1ccncc1)\c1ccncc1 ,1 [O][C]c1ccc(C([O])=O)cc1[N+](=O)[O-] ,7 [O]C(=O)c1ccc(C([O])=O)c([N+](=O)[O-])c1. Metal clusters: 4 O=[C]O[Cu]1O[C]O[Cu](O[C]=O)O[C]O1. The MOF has largest included sphere 5.65 A, density 1.20 g/cm3, surface area 4432.71 m2/g, accessible volume 0.40 cm3/g