CdC4H4(N3O)2 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Cd(1)-N(1) bond lengths are 2.41 Å. Both Cd(1)-N(2) bond lengths are 2.24 Å. Both Cd(1)-N(3) bond lengths are 2.57 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(3) atom. The C(1)-N(1) bond length is 1.19 Å. The C(1)-N(3) bond length is 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one O(1) atom. The C(2)-N(2) bond length is 1.31 Å. The C(2)-N(3) bond length is 1.37 Å. The C(2)-O(1) bond length is 1.33 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cd(1), one C(1), and one H(2) atom. The N(1)-H(2) bond length is 1.68 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(2), and one H(1) atom. The N(2)-H(1) bond length is 1.02 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(1), and one C(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one N(1) and one O(1) atom. The H(2)-O(1) bond length is 1.01 Å. O(1) is bonded in a water-like geometry to one C(2) and one H(2) atom. Linkers: 4 N#C[N]C(=N)O. Metal clusters: 2 [Cd]. The MOF has largest included sphere 1.42 A, density 2.52 g/cm3, surface area 3131.29 m2/g, accessible volume 0.09 cm3/g