CdC8H3(NO2)2C4H5 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixteen isobutylene molecules inside a CdC8H3(NO2)2 framework. In the CdC8H3(NO2)2 framework, Cd(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one O(4), and two equivalent O(1) atoms. The Cd(1)-N(1) bond length is 2.24 Å. The Cd(1)-N(2) bond length is 2.19 Å. The Cd(1)-O(4) bond length is 2.52 Å. There is one shorter (2.28 Å) and one longer (2.40 Å) Cd(1)-O(1) bond length. There are eight inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(1) bond length is 1.44 Å. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(1) bond length is 1.37 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-O(1) bond length is 1.22 Å. The C(1)-O(2) bond length is 1.24 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one N(2) atom. The C(3)-N(2) bond length is 1.37 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 1.21 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 1.56 Å. The C(5)-N(1) bond length is 1.37 Å. The C(5)-N(2) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(11), one C(5), and one C(7) atom. The C(6)-C(11) bond length is 1.39 Å. The C(6)-C(7) bond length is 1.39 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(2,5) atom. The C(7)-H(2,5) bond length is 0.93 Å. In the eighth C site, C(11) is bonded in a single-bond geometry to one C(6) and one H(2,5) atom. The C(11)-H(2,5) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(3), 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(2), and one C(5) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.82 Å. In the second H site, H(2,5) is bonded in a single-bond geometry to one C(7) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted water-like geometry to one C(1) and one H(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one C(1) atom. Linkers: 6 Cc1ccc(C2=N[C](C(=O)O)C(C([O])=O)=N2)cc1 ,1 Cc1ccc(C2=NC(C([O])=O)=C(C(=O)O)[N]2)cc1. Metal clusters: 8 [Cd]. The MOF has largest included sphere 6.57 A, density 1.26 g/cm3, surface area 3883.63 m2/g, accessible volume 0.49 cm3/g