CuC13H8(NO3)2 crystallizes in the hexagonal P6_3/m space group. The structure consists of a CuC13H8(NO3)2 framework. Cu(1) is bonded in a 6-coordinate geometry to two equivalent N(1), one O(1), one O(2), one O(3), and one O(5) atom. Both Cu(1)-N(1) bond lengths are 2.03 Å. The Cu(1)-O(1) bond length is 2.00 Å. The Cu(1)-O(2) bond length is 2.44 Å. The Cu(1)-O(3) bond length is 1.95 Å. The Cu(1)-O(5) bond length is 2.65 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to two equivalent C(2) and one H(1) atom. There is one shorter (1.39 Å) and one longer (1.40 Å) C(1)-C(2) bond length. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3) and two equivalent C(1) atoms. The C(2)-C(3) bond length is 1.49 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(3)-O(1) bond length is 1.30 Å. The C(3)-O(2) bond length is 1.26 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent C(5) and one H(2) atom. Both C(4)-C(5) bond lengths are 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(6) and two equivalent C(4) atoms. The C(5)-C(6) bond length is 1.51 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 1.28 Å. The C(6)-O(4) bond length is 1.26 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(3) atom. The C(7)-C(7) bond length is 1.39 Å. The C(7)-N(1) bond length is 1.35 Å. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one H(4) atom. The C(8)-C(8) bond length is 1.39 Å. The C(8)-N(1) bond length is 1.34 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(9)-C(11) bond length is 1.50 Å. The C(9)-O(5) bond length is 1.24 Å. The C(9)-O(6) bond length is 1.32 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to two equivalent C(11) and one H(6) atom. Both C(10)-C(11) bond lengths are 1.40 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(9) and two equivalent C(10) atoms. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(7), and one C(8) 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one O(4) and one O(6) atom. The H(5)-O(4) bond length is 1.60 Å. The H(5)-O(6) bond length is 1.03 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(6) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one C(6) and one H(5) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cu(1) and one C(9) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one C(9) and one H(5) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,6 c1cnccn1. Metal clusters: 6 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 1.55 A, density 1.99 g/cm3, surface area 3542.56 m2/g, accessible volume 0.11 cm3/g