CdC25H19(NO)5(CH)2 crystallizes in the hexagonal P6_1 space group. The structure consists of twelve 02329_fluka molecules inside a CdC25H19(NO)5 framework. In the CdC25H19(NO)5 framework, Cd(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), one O(1), one O(2), one O(3), and one O(4) atom. The Cd(1)-N(1) bond length is 2.25 Å. The Cd(1)-N(4) bond length is 2.27 Å. The Cd(1)-O(1) bond length is 2.34 Å. The Cd(1)-O(2) bond length is 2.54 Å. The Cd(1)-O(3) bond length is 2.52 Å. The Cd(1)-O(4) bond length is 2.33 Å. There are twenty-five inequivalent C sites. In the first C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(15) atom. The C(22)-C(21) bond length is 1.40 Å. The C(22)-C(23) bond length is 1.39 Å. The C(22)-H(15) bond length is 1.09 Å. In the second C site, C(1) is bonded in a bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(1)-C(3) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.26 Å. In the third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(18), one C(22), and one H(16) atom. The C(23)-C(18) bond length is 1.40 Å. The C(23)-H(16) bond length is 1.09 Å. In the fourth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(2)-C(4) bond length is 1.51 Å. The C(2)-O(3) bond length is 1.27 Å. The C(2)-O(4) bond length is 1.27 Å. In the fifth C site, C(24) is bonded in a distorted trigonal non-coplanar geometry to one C(21), one N(3), one H(17), and one H(18) atom. The C(24)-C(21) bond length is 1.51 Å. The C(24)-N(3) bond length is 1.46 Å. The C(24)-H(17) bond length is 1.10 Å. The C(24)-H(18) bond length is 1.10 Å. In the sixth C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(8) bond length is 1.40 Å. In the seventh C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one N(3), and one H(19) atom. The C(25)-C(26) bond length is 1.37 Å. The C(25)-N(3) bond length is 1.38 Å. The C(25)-H(19) bond length is 1.08 Å. In the eighth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(5) atom. The C(4)-C(5) bond length is 1.40 Å. In the ninth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(25), one N(4), and one H(20) atom. The C(26)-N(4) bond length is 1.39 Å. The C(26)-H(20) bond length is 1.08 Å. In the tenth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one N(5) atom. The C(5)-N(5) bond length is 1.45 Å. In the eleventh C site, C(27) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(21) atom. The C(27)-N(3) bond length is 1.35 Å. The C(27)-N(4) bond length is 1.33 Å. The C(27)-H(21) bond length is 1.09 Å. In the twelfth C site, C(8) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(8)-H(3) bond length is 1.09 Å. In the thirteenth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one N(5), and one H(4) atom. The C(9)-C(10) bond length is 1.36 Å. The C(9)-N(5) bond length is 1.38 Å. The C(9)-H(4) bond length is 1.09 Å. In the fourteenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(5) atom. The C(10)-C(11) bond length is 1.45 Å. The C(10)-H(5) bond length is 1.09 Å. In the fifteenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one O(5) atom. The C(11)-O(5) bond length is 1.26 Å. In the sixteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(6) atom. The C(12)-C(13) bond length is 1.36 Å. The C(12)-H(6) bond length is 1.09 Å. In the seventeenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one N(5), and one H(7) atom. The C(13)-N(5) bond length is 1.37 Å. The C(13)-H(7) bond length is 1.09 Å. In the eighteenth C site, C(14) is bonded in a 3-coordinate geometry to one C(15), one N(1), and one H(8) atom. The C(14)-C(15) bond length is 1.37 Å. The C(14)-N(1) bond length is 1.38 Å. The C(14)-H(8) bond length is 1.09 Å. In the nineteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(2), and one H(9) atom. The C(15)-N(2) bond length is 1.38 Å. The C(15)-H(9) bond length is 1.08 Å. In the twentieth C site, C(16) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(10) atom. The C(16)-N(1) bond length is 1.33 Å. The C(16)-N(2) bond length is 1.36 Å. The C(16)-H(10) bond length is 1.08 Å. In the twenty-first C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one C(18), one N(2), one H(11), and one H(12) atom. The C(17)-C(18) bond length is 1.51 Å. The C(17)-N(2) bond length is 1.46 Å. The C(17)-H(11) bond length is 1.10 Å. The C(17)-H(12) bond length is 1.10 Å. In the twenty-second C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(23) atom. The C(18)-C(19) bond length is 1.40 Å. In the twenty-third C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one H(13) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-H(13) bond length is 1.09 Å. In the twenty-fourth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one H(14) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-H(14) bond length is 1.09 Å. In the twenty-fifth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(24) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(14), and one C(16) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(17) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(24), one C(25), and one C(27) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(26), and one C(27) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(9) atom. There are nineteen inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(23) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(24) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(24) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(25) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(26) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(27) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cd(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cd(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(11) atom. Linkers: 2 [O]C(=O)c1cccc(-n2ccc(=O)cc2)c1C([O])=O ,1 [CH2][N].[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].[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].[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].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=C[N].[CH]=C[N].[CH]=N[CH2].[CH]=[N].[CH]=[N].[CH][N].[CH][N].[CH][N].[CH]n1[c]n[c]c1.[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[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][CH].[C]=N[Cd].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[C][N].[C][CH].[C][CH].[C][CH][C].[C][CH][C].[C][CH][N][C][C][N][C].[C][C].[C][C].[C][C].[C][C]([C])N([C])/[C]=C\[C]=O.[C][C]([C])[N].[C][C][C].[C][C][C]=[CH].[C][C][N][C].[C][N].[C][N][CH2].[C][N][CH].[C][N][C].[C][N][C].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[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].[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].[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].[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].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[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].[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][Cd] ,1 c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1. Metal clusters: 3 [C]1O[Cd]2(O1)O[C]O2. The MOF has largest included sphere 5.82 A, density 1.47 g/cm3, surface area 4491.32 m2/g, accessible volume 0.27 cm3/g