CuC6H6(NO3)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(2), one O(3), one O(5), and one O(6) atom. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(2) bond length is 2.01 Å. The Cu(1)-O(2) bond length is 2.42 Å. The Cu(1)-O(3) bond length is 2.39 Å. The Cu(1)-O(5) bond length is 1.99 Å. The Cu(1)-O(6) bond length is 2.00 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(1) atom. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-N(2) bond length is 1.34 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.52 Å. The C(5)-N(1) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(6)-O(3) bond length is 1.27 Å. The C(6)-O(4) bond length is 1.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), 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(3), and one C(4) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. The H(3)-O(4) bond length is 1.61 Å. The H(3)-O(5) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. The H(4)-O(2) bond length is 1.59 Å. The H(4)-O(5) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(6) atom. The H(5)-O(1) bond length is 1.59 Å. The H(5)-O(6) bond length is 1.02 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. The H(6)-O(3) bond length is 1.66 Å. The H(6)-O(6) bond length is 1.00 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one H(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one H(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one H(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(6) and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one H(3), and one H(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(5), and one H(6) atom. Linkers: 4 [O]C(=O)c1cncc(C([O])=O)n1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.42 A, density 2.25 g/cm3, surface area 3028.61 m2/g, accessible volume 0.07 cm3/g