CuC16H11(NO)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a trigonal pyramidal geometry to one N(1), one N(2), one N(3), and one O(4) atom. The Cu(1)-N(1) bond length is 1.94 Å. The Cu(1)-N(2) bond length is 2.01 Å. The Cu(1)-N(3) bond length is 1.96 Å. The Cu(1)-O(4) bond length is 2.30 Å. There are sixteen inequivalent C sites. In the first C site, C(9) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(6) atom. The C(9)-C(13) bond length is 1.40 Å. The C(9)-C(15) bond length is 1.52 Å. The C(9)-C(6) bond length is 1.40 Å. In the second C site, C(10) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(4) atom. The C(10)-C(6) bond length is 1.39 Å. The C(10)-C(8) bond length is 1.40 Å. The C(10)-N(4) bond length is 1.43 Å. In the third C site, C(11) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(6) atom. The C(11)-C(5) bond length is 1.39 Å. The C(11)-N(1) bond length is 1.36 Å. The C(11)-H(6) bond length is 1.09 Å. In the fourth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one N(4) atom. The C(12)-C(14) bond length is 1.47 Å. The C(12)-N(3) bond length is 1.32 Å. The C(12)-N(4) bond length is 1.37 Å. In the fifth C site, C(13) is bonded in a distorted single-bond geometry to one C(16), one C(9), and one H(8) atom. The C(13)-C(16) bond length is 1.40 Å. The C(13)-H(8) bond length is 1.09 Å. In the sixth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(10), one H(11), and one H(9) atom. The C(14)-H(10) bond length is 1.10 Å. The C(14)-H(11) bond length is 1.10 Å. The C(14)-H(9) bond length is 1.09 Å. In the seventh C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(1), and one O(4) atom. The C(15)-O(1) bond length is 1.25 Å. The C(15)-O(4) bond length is 1.29 Å. In the eighth C site, C(16) is bonded in a trigonal planar geometry to one C(13), one C(7), and one C(8) atom. The C(16)-C(7) bond length is 1.50 Å. The C(16)-C(8) bond length is 1.40 Å. In the ninth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(3) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-H(3) bond length is 1.09 Å. In the tenth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(7) bond length is 1.09 Å. In the eleventh C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. The C(3)-C(4) bond length is 1.46 Å. The C(3)-C(5) bond length is 1.40 Å. In the twelfth C site, C(4) is bonded in a distorted water-like geometry to one C(3), one N(2), and one N(4) atom. The C(4)-N(2) bond length is 1.33 Å. The C(4)-N(4) bond length is 1.38 Å. In the thirteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(11), one C(3), and one H(2) atom. The C(5)-H(2) bond length is 1.09 Å. In the fourteenth C site, C(6) is bonded in a distorted single-bond geometry to one C(10), one C(9), and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. In the fifteenth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(2), and one O(3) atom. The C(7)-O(2) bond length is 1.33 Å. The C(7)-O(3) bond length is 1.23 Å. In the sixteenth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(16), and one H(5) atom. The C(8)-H(5) bond length is 1.09 Å. There are four 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(11) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(4), and one N(3) atom. The N(2)-N(3) bond length is 1.38 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(12), and one N(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(4) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. The H(1)-O(2) bond length is 1.05 Å. The H(1)-O(4) bond length is 1.55 Å. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) 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(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(15) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(7) and one H(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(15), and one H(1) atom. Linkers: 4 Cc1nnc(-c2ccncc2)n1-c1cc(C([O])=O)cc(C(=O)O)c1. Metal clusters: 2 O=[C]O[Cu]1[N][N][Cu](O[C]=O)[N][N]1. The MOF has largest included sphere 2.89 A, density 1.76 g/cm3, surface area 3719.78 m2/g, accessible volume 0.14 cm3/g