UCuC23H11(NO2)4CH crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a UCuC23H11(NO2)4 framework. In the UCuC23H11(NO2)4 framework, U(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The U(1)-O(1) bond length is 2.36 Å. The U(1)-O(2) bond length is 2.36 Å. The U(1)-O(3) bond length is 2.49 Å. The U(1)-O(4) bond length is 2.46 Å. The U(1)-O(5) bond length is 2.30 Å. Cu(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one O(7) atom. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(2) bond length is 2.06 Å. The Cu(1)-N(3) bond length is 2.12 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-O(7) bond length is 1.99 Å. There are twenty-three inequivalent C sites. In the first C site, C(17) is bonded in a distorted single-bond geometry to one C(11) and one H(11) atom. The C(17)-C(11) bond length is 1.36 Å. The C(17)-H(11) bond length is 0.93 Å. In the second C site, C(18) is bonded in a distorted single-bond geometry to one C(7) and one N(1) atom. The C(18)-C(7) bond length is 1.45 Å. The C(18)-N(1) bond length is 1.36 Å. In the third C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15), one C(4), and one N(3) atom. The C(19)-C(15) bond length is 1.50 Å. The C(19)-C(4) bond length is 1.39 Å. The C(19)-N(3) bond length is 1.33 Å. In the fourth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(20)-C(11) bond length is 1.54 Å. The C(20)-O(5) bond length is 1.26 Å. The C(20)-O(6) bond length is 1.23 Å. In the fifth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(21)-C(5) bond length is 1.50 Å. The C(21)-O(3) bond length is 1.26 Å. The C(21)-O(4) bond length is 1.26 Å. In the sixth C site, C(22) is bonded in a distorted single-bond geometry to one C(7) and one H(12) atom. The C(22)-C(7) bond length is 1.37 Å. The C(22)-H(12) bond length is 0.93 Å. In the seventh C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(7), and one O(8) atom. The C(23)-C(24) bond length is 1.58 Å. The C(23)-O(7) bond length is 1.23 Å. The C(23)-O(8) bond length is 1.19 Å. In the eighth C site, C(24) is bonded in a trigonal planar geometry to one C(14), one C(23), and one C(8) atom. The C(24)-C(14) bond length is 1.31 Å. The C(24)-C(8) bond length is 1.39 Å. In the ninth C site, C(1) is bonded in a distorted single-bond geometry to one C(9) and one H(1) atom. The C(1)-C(9) bond length is 1.38 Å. The C(1)-H(1) bond length is 0.93 Å. In the tenth C site, C(2) is bonded in a distorted single-bond geometry to one C(15) and one H(2) atom. The C(2)-C(15) bond length is 1.39 Å. The C(2)-H(2) bond length is 0.93 Å. In the eleventh C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(4), and one H(3) atom. The C(3)-C(9) bond length is 1.36 Å. The C(3)-N(4) bond length is 1.34 Å. The C(3)-H(3) bond length is 0.93 Å. In the twelfth C site, C(4) is bonded in a distorted single-bond geometry to one C(19) and one H(4) atom. The C(4)-H(4) bond length is 0.93 Å. In the thirteenth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(21) atom. The C(5)-C(10) bond length is 1.40 Å. The C(5)-C(12) bond length is 1.38 Å. In the fourteenth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(1), and one O(2) atom. The C(6)-C(9) bond length is 1.51 Å. The C(6)-O(1) bond length is 1.24 Å. The C(6)-O(2) bond length is 1.25 Å. In the fifteenth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(18), one C(22), and one N(2) atom. The C(7)-N(2) bond length is 1.36 Å. In the sixteenth C site, C(8) is bonded in a 3-coordinate geometry to one C(24), one N(2), and one H(5) atom. The C(8)-N(2) bond length is 1.33 Å. The C(8)-H(5) bond length is 0.93 Å. In the seventeenth C site, C(9) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(6) atom. In the eighteenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(1), and one H(6) atom. The C(10)-N(1) bond length is 1.32 Å. The C(10)-H(6) bond length is 0.93 Å. In the nineteenth C site, C(11) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(20) atom. The C(11)-C(13) bond length is 1.34 Å. In the twentieth C site, C(12) is bonded in a distorted single-bond geometry to one C(5) and one H(7) atom. The C(12)-H(7) bond length is 0.93 Å. In the twenty-first C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(3), and one H(8) atom. The C(13)-N(3) bond length is 1.33 Å. The C(13)-H(8) bond length is 0.93 Å. In the twenty-second C site, C(14) is bonded in a distorted single-bond geometry to one C(24) and one H(9) atom. The C(14)-H(9) bond length is 0.93 Å. In the twenty-third C site, C(15) is bonded in a distorted single-bond geometry to one C(19), one C(2), and one N(4) atom. The C(15)-N(4) bond length is 1.32 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(10), and one C(18) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(7), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(19) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(15), and one C(3) atom. There are eleven 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) 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(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(12) 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(11) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(22) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one U(1) and one C(6) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one U(1) and one C(6) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one U(1) and one C(21) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one U(1) and one C(21) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one U(1) and one C(20) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(20) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Cu(1) and one C(23) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(23) atom. Linkers: 1 O=[C]O[Cu].[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].[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].[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]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[CH].[C]=[C][N].[C]N=[CH].[C]N=[CH].[C]N=[CH].[C]N=[CH].[C][C]/[C]=[C]\[N].[C][C]=O.[C][N].[C][N].[C][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].[H].[H].[H].[H].[H].[H].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][Cu].[O][Cu] ,1 O=[C]O[Cu].[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].[CH].[CH].[CH].[CH].[CH]=[C][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].[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]=O.[C]=O.[C]C=[CH].[C]N=[CH].[C]N=[CH].[C][CH].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][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].[H].[H].[H].[H].[H].[H].[H].[H].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Cu].[O][Cu] ,1 O=[C]O[Cu].[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].[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].[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]=O.[C]=[CH].[C]=[CH].[C]=[CH].[C][C].[C][C]/[C]=N\[C].[C][N].[C][N].[C][N].[C][N].[C][N].[C][N].[C][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].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[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].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[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].[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\[C]=[CH].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[CH].[C]=[C]/C=N\[C]=[C].[C]=[C][C]=[CH].[C]=[C][N][Cu][O].[C]C([O])=O.[C]C([O])=O.[C]N=[CH].[C]N=[C].[C]N=[C].[C]O[Cu].[C][C]=[C].[C][N].[C][N].[C][N].[C][N].[C][N].[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].[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].[O].[O].[O].[O].[O].[O][C]=O.[O][Cu].[O][Cu]. Metal clusters: 4 O=[C]O[U]12(O[C]O1)O[C]O[U]1(O[C]=O)(O[C]O1)O[C]O2. The MOF has largest included sphere 5.12 A, density 1.60 g/cm3, surface area 3138.09 m2/g, accessible volume 0.29 cm3/g