CdC10H4(NO2)2(C6H11)2 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixteen C6H11 clusters inside a CdC10H4(NO2)2 framework. In each C6H11 cluster, there are twelve inequivalent C sites. In the first C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(2) atom. The C(8)-C(9) bond length is 1.31 Å. The C(8)-H(2) bond length is 0.93 Å. In the second C site, C(9) is bonded in a 5-coordinate geometry to one C(10), one C(12), one C(17), one C(18), and one C(8) atom. The C(9)-C(10) bond length is 1.48 Å. The C(9)-C(12) bond length is 1.52 Å. The C(9)-C(17) bond length is 1.45 Å. The C(9)-C(18) bond length is 1.25 Å. In the third C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(3) atom. The C(10)-H(3) bond length is 0.93 Å. In the fourth C site, C(12) is bonded in a 7-coordinate geometry to one C(13), one C(14), one C(15), one C(20), one C(21), one C(22), and one C(9) atom. The C(12)-C(13) bond length is 1.47 Å. The C(12)-C(14) bond length is 1.47 Å. The C(12)-C(15) bond length is 1.47 Å. The C(12)-C(20) bond length is 1.47 Å. The C(12)-C(21) bond length is 1.47 Å. The C(12)-C(22) bond length is 1.47 Å. In the fifth C site, C(13) is bonded in a trigonal non-coplanar geometry to one C(12), one H(5), one H(6), and one H(7) atom. The C(13)-H(5) bond length is 0.96 Å. The C(13)-H(6) bond length is 0.96 Å. The C(13)-H(7) bond length is 0.96 Å. In the sixth C site, C(14) is bonded in a 3-coordinate geometry to one C(12), one H(10), one H(24), one H(8), and one H(9) atom. The C(14)-H(10) bond length is 0.96 Å. The C(14)-H(24) bond length is 1.10 Å. The C(14)-H(8) bond length is 0.96 Å. The C(14)-H(9) bond length is 0.96 Å. In the seventh C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(12), one H(11), one H(12), and one H(13) atom. The C(15)-H(11) bond length is 0.96 Å. The C(15)-H(12) bond length is 0.96 Å. The C(15)-H(13) bond length is 0.96 Å. In the eighth C site, C(17) is bonded in a distorted single-bond geometry to one C(9) and one H(15) atom. The C(17)-H(15) bond length is 0.93 Å. In the ninth C site, C(18) is bonded in a distorted single-bond geometry to one C(9) and one H(16) atom. The C(18)-H(16) bond length is 0.93 Å. In the tenth C site, C(20) is bonded in a trigonal non-coplanar geometry to one C(12), one H(18), one H(19), and one H(20) atom. The C(20)-H(18) bond length is 0.96 Å. The C(20)-H(19) bond length is 0.96 Å. The C(20)-H(20) bond length is 0.96 Å. In the eleventh C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(21), one H(22), and one H(23) atom. The C(21)-H(21) bond length is 0.96 Å. The C(21)-H(22) bond length is 0.96 Å. The C(21)-H(23) bond length is 0.96 Å. In the twelfth C site, C(22) is bonded in a distorted tetrahedral geometry to one C(12), one H(24), one H(25), one H(26), and one H(9) atom. The C(22)-H(24) bond length is 0.96 Å. The C(22)-H(25) bond length is 0.96 Å. The C(22)-H(26) bond length is 0.96 Å. The C(22)-H(9) bond length is 1.00 Å. There are twenty-two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(8) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(5) is bonded in a distorted water-like geometry to one C(13) and one H(20) atom. The H(5)-H(20) bond length is 0.36 Å. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(7) is bonded in a 2-coordinate geometry to one C(13) and one H(21) atom. The H(7)-H(21) bond length is 0.47 Å. In the sixth H site, H(8) is bonded in a distorted single-bond geometry to one C(14) atom. In the seventh H site, H(9) is bonded in a 2-coordinate geometry to one C(14), one C(22), and one H(24) atom. The H(9)-H(24) bond length is 0.87 Å. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(14) and one H(24) atom. The H(10)-H(24) bond length is 1.07 Å. In the ninth H site, H(11) is bonded in a water-like geometry to one C(15) and one H(26) atom. The H(11)-H(26) bond length is 0.47 Å. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(20) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(20) atom. In the sixteenth H site, H(20) is bonded in a distorted water-like geometry to one C(20) and one H(5) atom. In the seventeenth H site, H(21) is bonded in a water-like geometry to one C(21) and one H(7) atom. In the eighteenth H site, H(22) is bonded in a distorted single-bond geometry to one C(21) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(21) atom. In the twentieth H site, H(24) is bonded in a 4-coordinate geometry to one C(14), one C(22), one H(10), and one H(9) atom. In the twenty-first H site, H(25) is bonded in a single-bond geometry to one C(22) atom. In the twenty-second H site, H(26) is bonded in a 2-coordinate geometry to one C(22) and one H(11) atom. In the CdC10H4(NO2)2 framework, Cd(1) is bonded in a distorted pentagonal planar geometry to one N(1), one N(2), one O(1), and two equivalent O(4) atoms. The Cd(1)-N(1) bond length is 2.21 Å. The Cd(1)-N(2) bond length is 2.26 Å. The Cd(1)-O(1) bond length is 2.46 Å. There is one shorter (2.32 Å) and one longer (2.37 Å) Cd(1)-O(4) bond length. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.23 Å. The C(1)-O(2) bond length is 1.28 Å. In the second 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 1.47 Å. The C(2)-O(3) bond length is 1.26 Å. The C(2)-O(4) bond length is 1.25 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one N(1) atom. The C(3)-C(4) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one C(2), one C(3), and one N(2) atom. The C(4)-N(2) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one N(2) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-N(1) bond length is 1.35 Å. The C(5)-N(2) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a 5-coordinate geometry to one C(11), one C(16), one C(19), one C(5), and one C(7) atom. The C(6)-C(11) bond length is 1.42 Å. The C(6)-C(16) bond length is 1.45 Å. The C(6)-C(19) bond length is 1.34 Å. The C(6)-C(7) bond length is 1.32 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(1) atom. The C(7)-H(1) bond length is 0.93 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(11)-H(4) bond length is 0.93 Å. In the ninth C site, C(16) is bonded in a distorted single-bond geometry to one C(6) and one H(14) atom. The C(16)-H(14) bond length is 0.93 Å. In the tenth C site, C(19) is bonded in a distorted single-bond geometry to one C(6) and one H(17) atom. The C(19)-H(17) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one C(5) atom. In the second N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(3), and one C(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the third H site, H(14) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees 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 C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one C(2) atom. Linkers: 2 CC.CC.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[CH3].[CH3].[C].[O]C(=O)[C]1N=[C]N=C1C([O])=O ,3 CC.CC.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[CH3].[CH3].[C].[O]C(=O)C1=N[C]N=C1C([O])=O ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[CH3].[CH3].[CH3].[CH3].[CH3].[C]C.[O]C(=O)C1=C(C([O])=O)N=[C][N]1 ,4 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[CH3].[CH3].[CH3].[CH3].[CH3].[CH3].[C].[O]C(=O)C1=C(C([O])=O)N=[C][N]1 ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[CH3].[CH3].[CH3].[CH3].[CH3].[C]C.[O]C(=O)[C]1N=[C]N=C1C([O])=O ,2 C[C]C.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[CH3].[CH3].[CH3].[CH3].[O]C(=O)C1=C(C([O])=O)N=[C][N]1 ,1 C[C]C.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[CH3].[CH3].[CH3].[CH3].[O]C(=O)C1=N[C]N=C1C([O])=O ,1 CC.[C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@H]4[C@@H]5[C@H]([C@H]41)C235.[CH3].[CH3].[CH3].[CH3].[C].[O]C(=O)[C]1N=[C]N=C1C([O])=O ,1 [C@H]12[C@@H]3[C@@H]4[C@H]1C41[C@@H]4[C@H]5[C@@H]([C@@H]41)C235.[CH3].[CH3].[CH3].[CH3].[CH3].[CH3].[C].[O]C(=O)[C]1N=[C]N=C1C([O])=O. Metal clusters: 16 [Cd]. The MOF has largest included sphere 4.95 A, density 1.67 g/cm3, surface area 3385.35 m2/g, accessible volume 0.22 cm3/g