CuC28H20(NO2)2 crystallizes in the tetragonal I4_1/a space group. Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(1) atoms. Both Cu(1)-N(1) bond lengths are 2.01 Å. Both Cu(1)-O(1) bond lengths are 1.97 Å. There are fourteen inequivalent C sites. In the first C site, C(12) is bonded in a distorted trigonal planar geometry to one C(3), one C(6), and one H(8) atom. The C(12)-C(3) bond length is 1.41 Å. The C(12)-C(6) bond length is 1.39 Å. The C(12)-H(8) bond length is 1.09 Å. In the second C site, C(13) is bonded in a distorted single-bond geometry to one C(14), one C(3), and one H(9) atom. The C(13)-C(14) bond length is 1.35 Å. The C(13)-C(3) bond length is 1.45 Å. The C(13)-H(9) bond length is 1.09 Å. In the third C site, C(14) is bonded in a distorted single-bond geometry to one C(10), one C(13), and one H(10) atom. The C(14)-C(10) bond length is 1.45 Å. The C(14)-H(10) bond length is 1.09 Å. In the fourth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(11), one C(7), and one H(1) atom. The C(1)-C(11) bond length is 1.39 Å. The C(1)-C(7) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the fifth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(2) atom. The C(2)-C(4) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(4) atom. The C(3)-C(4) bond length is 1.41 Å. In the seventh C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(3), and one H(3) atom. The C(4)-H(3) bond length is 1.09 Å. In the eighth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(10), one C(9), and one H(4) atom. The C(5)-C(10) bond length is 1.41 Å. The C(5)-C(9) bond length is 1.39 Å. The C(5)-H(4) bond length is 1.09 Å. In the ninth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(12), one N(1), and one H(5) atom. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(5) bond length is 1.09 Å. In the tenth C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(8), and one C(9) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-C(9) bond length is 1.41 Å. In the eleventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(8)-O(1) bond length is 1.30 Å. The C(8)-O(2) bond length is 1.25 Å. In the twelfth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(6) atom. The C(9)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(5) atom. The C(10)-C(11) bond length is 1.41 Å. In the fourteenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(1), one C(10), and one H(7) atom. The C(11)-H(7) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(6) atom. There are ten 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(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(8) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(8) atom. Linkers: 2 [O]C(=O)c1ccc(/C=C/c2ccncc2)cc1 ,2 [C][C](/C=C\[C][C][O])/C=C/c1ccncc1 ,2 [O]C(=O)c1ccc(/C=C/c2c[c]ncc2)cc1 ,1 [C]/C=C\[C]([C])/C=C/C1=C[CH]N([Cu@](OC(=O)c2ccc(/C=C/C3=C[C]N([Cu@@]([N])(OC(=O)[C]([C])/C=C\[C])OC(=O)c4ccc(/C=C/c5ccncc5)cc4)C=C3)cc2)(OC(=O)c2ccc(/C=C/C3=C[CH]N([Cu])C=C3)cc2)N2[CH]C=C(/C=C/c3ccc(C([O])=O)cc3)C=C2)C=C1 ,1 [C]/C=C\[C]([C])/C=C/C1=C[CH]N([Cu@](OC(=O)c2ccc(/C=C/C3=C[C]N([Cu])C=C3)cc2)(OC(=O)c2ccc(/C=C/C3=C[CH]N([Cu@]([N])(OC(=O)[C]([C])/C=C\[C])OC(=O)c4ccc(/C=C/c5ccncc5)cc4)C=C3)cc2)N2[CH]C=C(/C=C/c3ccc(C([O])=O)cc3)C=C2)C=C1 ,1 [N][Cu](OC(=O)c1ccc(/C=C/c2ccncc2)cc1)(OC(=O)c1ccc(/C=C/c2ccncc2)cc1)N1[CH]C=C(/C=C/c2c[c]c([C]O[Cu](O[C]c3[c]cc(/C=C/C4=C[CH]N([Cu])C=C4)cc3)N3[C]C=C(/C=C/c4ccc(C([O])=O)cc4)C=C3)cc2)C=C1. Metal clusters: 2 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 9.47 A, density 0.83 g/cm3, surface area 5104.43 m2/g, accessible volume 0.77 cm3/g