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(1) and two equivalent O(1) atoms. Both Cu(1)-N(1) bond lengths are 1.98 Å. Both Cu(1)-O(1) bond lengths are 1.95 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(1), and one H(1) atom. The C(1)-C(5) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(2)-C(4) bond length is 1.38 Å. The C(2)-C(6) bond length is 1.42 Å. The C(2)-C(8) bond length is 1.50 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(6), one C(7), and one H(2) atom. The C(3)-C(6) bond length is 1.37 Å. The C(3)-C(7) bond length is 1.41 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-H(3) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(7) atom. The C(5)-C(7) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one H(4) atom. The C(6)-H(4) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one N(2) atom. The C(7)-N(2) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(8)-O(1) bond length is 1.27 Å. The C(8)-O(2) bond length is 1.24 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(7), one N(1), and one H(5) atom. The N(2)-H(5) bond length is 0.86 Å. There are five 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(4) 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 N(2) 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(8) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(8) atom. Linkers: 1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[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].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]/[C]=[C]\C=[C].[C]=O.[C]=O.[C]=O.[C]=O.[C][CH][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C][C].[C][C][NH].[C][N][N].[C][N][N][C].[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].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[NH].[NH].[NH].[NH].[NH].[NH].[NH].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Cu].[O][Cu] ,1 O=[C]c1[c]cc2[nH]ncc2c1.[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[CH].[CH]=[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]#N.[C]#N.[C]#N.[C]/[C]=[C]\[C].[C]=O.[C]=O.[C]=O.[C][CH].[C][C].[C][C].[C][C]=[C].[C][C][C].[C][C][N][N][Cu].[Cu].[Cu].[Cu].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Cu] ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=CC(=[CH])C(=O)O[Cu](N1C=C2C=C([C]=O)[C]=C[C]2N1)N1C=C2[CH]C(C([O])=O)=CC=C2N1.[CH]=[N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]=N[Cu].[C]=N[Cu][N].[C]=O.[C]=O.[C]=O.[C][C].[C][C].[C][C].[C][C].[C][C][NH].[Cu].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[NH].[NH].[NH].[NH].[N].[N].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[c]1[c][c][c][c][c]1. Metal clusters: 1 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 10.05 A, density 1.22 g/cm3, surface area 4112.58 m2/g, accessible volume 0.40 cm3/g