CuC16H12(NO2)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. Both Cu(1)-N(1) bond lengths are 1.98 Å. Both Cu(1)-O(1) bond lengths are 2.51 Å. Both Cu(1)-O(2) bond lengths are 2.01 Å. There are eight inequivalent C sites. In the first C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one H(2), and one O(2) atom. The C(3)-C(2) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.11 Å. The C(3)-O(2) bond length is 1.27 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(8) atom. The C(4)-C(2) bond length is 1.46 Å. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(8) bond length is 1.41 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(5)-H(3) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(4) bond length is 1.09 Å. In the fifth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(1), and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-N(1) bond length is 1.35 Å. The C(7)-H(6) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(4), one C(7), and one H(5) atom. The C(8)-H(5) bond length is 1.09 Å. In the seventh C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one H(1), and one O(1) atom. The C(1)-C(2) bond length is 1.43 Å. The C(1)-H(1) bond length is 1.12 Å. The C(1)-O(1) bond length is 1.25 Å. In the eighth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(6), and one C(7) atom. There are six 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 4 O=C[C](C=O)c1ccncc1. Metal clusters: 2 [CH]O[Cu]O[CH]. The MOF has largest included sphere 4.65 A, density 1.23 g/cm3, surface area 4366.27 m2/g, accessible volume 0.34 cm3/g