CdC8H6(NO)4 crystallizes in the monoclinic Cc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one N(1), one N(5), one N(7), one O(1), one O(12), and one O(9) atom. The Cd(1)-N(1) bond length is 2.22 Å. The Cd(1)-N(5) bond length is 2.21 Å. The Cd(1)-N(7) bond length is 2.29 Å. The Cd(1)-O(1) bond length is 2.64 Å. The Cd(1)-O(12) bond length is 2.40 Å. The Cd(1)-O(9) bond length is 2.67 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one N(2), one N(4), one N(8), one O(11), one O(2), and one O(8) atom. The Cd(2)-N(2) bond length is 2.22 Å. The Cd(2)-N(4) bond length is 2.22 Å. The Cd(2)-N(8) bond length is 2.30 Å. The Cd(2)-O(11) bond length is 2.39 Å. The Cd(2)-O(2) bond length is 2.63 Å. The Cd(2)-O(8) bond length is 2.68 Å. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to one N(3), one N(6), one N(9), one O(10), one O(3), and one O(7) atom. The Cd(3)-N(3) bond length is 2.21 Å. The Cd(3)-N(6) bond length is 2.21 Å. The Cd(3)-N(9) bond length is 2.30 Å. The Cd(3)-O(10) bond length is 2.39 Å. The Cd(3)-O(3) bond length is 2.65 Å. The Cd(3)-O(7) bond length is 2.69 Å. There are twenty-four inequivalent C sites. In the first C site, C(24) is bonded in a trigonal planar geometry to one N(12), one N(9), and one H(18) atom. The C(24)-N(12) bond length is 1.35 Å. The C(24)-N(9) bond length is 1.34 Å. The C(24)-H(18) bond length is 1.08 Å. In the second C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(7) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.35 Å. The C(1)-H(7) bond length is 1.09 Å. In the third C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(5), and one H(8) atom. The C(2)-N(2) bond length is 1.34 Å. The C(2)-N(5) bond length is 1.35 Å. The C(2)-H(8) bond length is 1.09 Å. In the fourth C site, C(3) is bonded in a trigonal planar geometry to one N(3), one N(6), and one H(9) atom. The C(3)-N(3) bond length is 1.34 Å. The C(3)-N(6) bond length is 1.35 Å. The C(3)-H(9) bond length is 1.09 Å. In the fifth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(10), one C(7), and one N(4) atom. The C(4)-C(10) bond length is 1.40 Å. The C(4)-C(7) bond length is 1.47 Å. The C(4)-N(4) bond length is 1.37 Å. In the sixth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(11), one C(8), and one N(5) atom. The C(5)-C(11) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.47 Å. The C(5)-N(5) bond length is 1.37 Å. In the seventh C site, C(6) is bonded in a distorted trigonal planar geometry to one C(12), one C(9), and one N(6) atom. The C(6)-C(12) bond length is 1.40 Å. The C(6)-C(9) bond length is 1.47 Å. The C(6)-N(6) bond length is 1.37 Å. In the eighth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(10), and one O(7) atom. The C(7)-O(10) bond length is 1.27 Å. The C(7)-O(7) bond length is 1.29 Å. In the ninth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(11), and one O(8) atom. The C(8)-O(11) bond length is 1.27 Å. The C(8)-O(8) bond length is 1.29 Å. In the tenth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(12), and one O(9) atom. The C(9)-O(12) bond length is 1.27 Å. The C(9)-O(9) bond length is 1.29 Å. In the eleventh C site, C(10) is bonded in a distorted single-bond geometry to one C(13), one C(4), and one N(1) atom. The C(10)-C(13) bond length is 1.47 Å. The C(10)-N(1) bond length is 1.37 Å. In the twelfth C site, C(11) is bonded in a distorted single-bond geometry to one C(14), one C(5), and one N(2) atom. The C(11)-C(14) bond length is 1.47 Å. The C(11)-N(2) bond length is 1.37 Å. In the thirteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one N(3) atom. The C(12)-C(15) bond length is 1.47 Å. The C(12)-N(3) bond length is 1.37 Å. In the fourteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(1), and one O(4) atom. The C(13)-O(1) bond length is 1.26 Å. The C(13)-O(4) bond length is 1.31 Å. In the fifteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(2), and one O(5) atom. The C(14)-O(2) bond length is 1.26 Å. The C(14)-O(5) bond length is 1.31 Å. In the sixteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(3), and one O(6) atom. The C(15)-O(3) bond length is 1.25 Å. The C(15)-O(6) bond length is 1.31 Å. In the seventeenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(19); one N(7); and one H(10,12) atom. The C(16)-C(19) bond length is 1.38 Å. The C(16)-N(7) bond length is 1.39 Å. The C(16)-H(10,12) bond length is 1.08 Å. In the eighteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(20), one N(8), and one H(11) atom. The C(17)-C(20) bond length is 1.37 Å. The C(17)-N(8) bond length is 1.39 Å. The C(17)-H(11) bond length is 1.08 Å. In the nineteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(21); one N(9); and one H(10,12) atom. The C(18)-C(21) bond length is 1.38 Å. The C(18)-N(9) bond length is 1.39 Å. The C(18)-H(10,12) bond length is 1.08 Å. In the twentieth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(16), one N(10), and one H(13) atom. The C(19)-N(10) bond length is 1.38 Å. The C(19)-H(13) bond length is 1.08 Å. In the twenty-first C site, C(20) is bonded in a distorted trigonal planar geometry to one C(17); one N(11); and one H(14,15) atom. The C(20)-N(11) bond length is 1.38 Å. The C(20)-H(14,15) bond length is 1.08 Å. In the twenty-second C site, C(21) is bonded in a distorted trigonal planar geometry to one C(18); one N(12); and one H(14,15) atom. The C(21)-N(12) bond length is 1.38 Å. The C(21)-H(14,15) bond length is 1.08 Å. In the twenty-third C site, C(22) is bonded in a trigonal planar geometry to one N(10), one N(7), and one H(16) atom. The C(22)-N(10) bond length is 1.35 Å. The C(22)-N(7) bond length is 1.34 Å. The C(22)-H(16) bond length is 1.08 Å. In the twenty-fourth C site, C(23) is bonded in a trigonal planar geometry to one N(11), one N(8), and one H(17) atom. The C(23)-N(11) bond length is 1.35 Å. The C(23)-N(8) bond length is 1.34 Å. The C(23)-H(17) bond length is 1.08 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(1), and one C(10) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(11), and one C(2) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(12), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(1), and one C(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cd(1), one C(2), and one C(5) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(3), and one C(6) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(16), and one C(22) atom. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(17), and one C(23) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(18), and one C(24) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(19), one C(22), and one H(4) atom. The N(10)-H(4) bond length is 1.05 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one C(20), one C(23), and one H(5) atom. The N(11)-H(5) bond length is 1.04 Å. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one C(21), one C(24), and one H(6) atom. The N(12)-H(6) bond length is 1.04 Å. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(7) atom. The H(1)-O(4) bond length is 1.09 Å. The H(1)-O(7) bond length is 1.37 Å. In the second H site, H(2) is bonded in a linear geometry to one O(5) and one O(8) atom. The H(2)-O(5) bond length is 1.09 Å. The H(2)-O(8) bond length is 1.38 Å. In the third H site, H(3) is bonded in a linear geometry to one O(6) and one O(9) atom. The H(3)-O(6) bond length is 1.10 Å. The H(3)-O(9) bond length is 1.37 Å. In the fourth H site, H(4) is bonded in a linear geometry to one N(10) and one O(3) atom. The H(4)-O(3) bond length is 1.67 Å. In the fifth H site, H(5) is bonded in a distorted linear geometry to one N(11) and one O(2) atom. The H(5)-O(2) bond length is 1.70 Å. In the sixth H site, H(6) is bonded in a distorted linear geometry to one N(12) and one O(1) atom. The H(6)-O(1) bond length is 1.69 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10,12) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the thirteenth H site, H(14,15) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(22) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(24) atom. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted water-like geometry to one Cd(1) and one C(9) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cd(1), one C(13), and one H(6) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cd(2), one C(14), and one H(5) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cd(3), one C(15), and one H(4) atom. In the fifth O site, O(4) is bonded in a water-like geometry to one C(13) and one H(1) atom. In the sixth O site, O(5) is bonded in a water-like geometry to one C(14) and one H(2) atom. In the seventh O site, O(6) is bonded in a water-like geometry to one C(15) and one H(3) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cd(3), one C(7), and one H(1) atom. In the ninth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cd(2), one C(8), and one H(2) atom. In the tenth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cd(1), one C(9), and one H(3) atom. In the eleventh O site, O(10) is bonded in a distorted water-like geometry to one Cd(3) and one C(7) atom. In the twelfth O site, O(11) is bonded in a distorted water-like geometry to one Cd(2) and one C(8) atom. Linkers: 6 [O]C(=O)C1=C(C(=O)O)N=C[N]1. Metal clusters: 6 [Cd]. The MOF has largest included sphere 3.85 A, density 2.00 g/cm3, surface area 3707.61 m2/g, accessible volume 0.16 cm3/g