CuC16H10(NO)4 crystallizes in the trigonal R-3 space group. Cu(1) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent O(1) atoms. Both Cu(1)-N(2) bond lengths are 1.97 Å. Both Cu(1)-O(1) bond lengths are 1.99 Å. There are eight inequivalent C sites. In the first C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(6)-C(7) bond length is 1.50 Å. The C(6)-O(1) bond length is 1.30 Å. The C(6)-O(2) bond length is 1.26 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(2), and one H(1) atom. The C(1)-C(5) bond length is 1.42 Å. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.08 Å. In the third C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(7)-C(2) bond length is 1.39 Å. The C(7)-C(4) bond length is 1.42 Å. In the fourth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(2) atom. The C(2)-C(5) bond length is 1.41 Å. The C(2)-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(1), one C(2), and one C(3) atom. The C(5)-C(3) bond length is 1.43 Å. In the sixth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(3), one C(4), and one H(4) atom. The C(8)-C(3) bond length is 1.40 Å. The C(8)-C(4) bond length is 1.38 Å. The C(8)-H(4) bond length is 1.09 Å. In the seventh C site, C(3) is bonded in a distorted single-bond geometry to one C(5), one C(8), and one N(1) atom. The C(3)-N(1) bond length is 1.36 Å. In the eighth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(7), one C(8), and one H(3) atom. The C(4)-H(3) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(3), one N(2), and one H(5) atom. The N(1)-N(2) bond length is 1.36 Å. The N(1)-H(5) bond length is 1.03 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(1) atom. There are five inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(4) is bonded in a single-bond geometry to one C(8) 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(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(6) atom. Linkers: 1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]=O.[C]=O.[C]O[Cu].[C][CH].[C][CH].[C][CH]N([N])[Cu]N([C])[NH].[C][C]=[CH].[Cu].[H].[H].[H].[H].[H].[NH].[NH].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O]C(=O)C1=CC2=CN([Cu])N[C]2C=C1.[O]C(=O)c1ccc2[nH]ncc2c1.[O]C(=O)c1ccc2[nH]ncc2c1 ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]N([N])[Cu].[CH][N].[CH][N][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]/[C]=[C]\[O].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C][C].[C][C]/[C]=C\[C].[C][C]=[CH].[C][C]C([O])=O.[C][C][C].[C][N][NH].[Cu].[Cu].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[NH].[NH].[NH].[NH].[NH].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][NH].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O]C(=O)c1c[c][c]cc1.[O][Cu] ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]N([NH])[Cu].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]/[C]=[C]\[O].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C][CH].[C][CH][C].[C][C](/[C]=[C]/C([O])=O)C([CH])=N.[C][C][C].[C][NH].[C]c1cc(C([O])=O)ccc1[N].[Cu].[Cu].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[NH].[NH].[NH].[NH].[NH].[NH].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][N][Cu].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Cu] ,1 O=[C]O[Cu]N1C=C2[CH]C(C(=O)O[Cu])=CC=C2N1.[CH].[CH].[CH].[CH][N].[C].[C].[C].[C].[C].[C].[C]=O.[C][C].[C][C]C(=O)O[Cu@]([O])(N([N])[CH][C])N1C=C2[CH]C(C([O])=O)=CC=C2N1.[H].[H].[H].[H].[NH].[N].[N].[O].[O][Cu]OC(=O)c1ccc2[nH]ncc2c1.[c]1ccc2[nH]ncc2c1. Metal clusters: 1 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 10.06 A, density 1.23 g/cm3, surface area 4184.68 m2/g, accessible volume 0.37 cm3/g