CdC4H5(NO2)3 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in an octahedral geometry to one N(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Cd(1)-N(1) bond length is 2.30 Å. The Cd(1)-O(2) bond length is 2.31 Å. The Cd(1)-O(3) bond length is 2.44 Å. The Cd(1)-O(4) bond length is 2.32 Å. The Cd(1)-O(5) bond length is 2.35 Å. The Cd(1)-O(6) bond length is 2.25 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one N(1) and one N(2) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(2) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(2)-O(1) bond length is 1.25 Å. The C(2)-O(2) bond length is 1.28 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(1) and one N(3) atom. The C(3)-N(1) bond length is 1.36 Å. The C(3)-N(3) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(4)-O(3) bond length is 1.28 Å. The C(4)-O(4) bond length is 1.26 Å. There are three 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(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one C(1), one N(3), and one H(1) atom. The N(2)-N(3) bond length is 1.35 Å. The N(2)-H(1) bond length is 1.05 Å. In the third N site, N(3) is bonded in a distorted single-bond geometry to one C(3), one N(2), and one H(2) atom. The N(3)-H(2) bond length is 1.76 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one N(2) and one O(1) atom. The H(1)-O(1) bond length is 1.64 Å. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) and one O(5) atom. The H(2)-O(5) bond length is 1.00 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. The H(3)-O(3) bond length is 1.62 Å. The H(3)-O(5) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(5) and one O(6) atom. The H(4)-O(5) bond length is 1.66 Å. The H(4)-O(6) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. The H(5)-O(6) bond length is 0.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one C(2) and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cd(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cd(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cd(1), one H(2), one H(3), and one H(4) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Cd(1), one H(4), and one H(5) atom. Linkers: 4 [O]C(=O)[C]1N=C(C([O])=O)[N]N1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 1.83 A, density 2.52 g/cm3, surface area 2913.89 m2/g, accessible volume 0.07 cm3/g