CdC12H12(N5O)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 O(1) atoms. Both Cd(1)-N(1) bond lengths are 2.39 Å. Both Cd(1)-N(2) bond lengths are 2.42 Å. Both Cd(1)-O(1) bond lengths are 2.35 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(6) and one H(2) atom. The C(2)-C(6) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(3) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(6), and one H(4) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one N(5) atom. The C(5)-C(6) bond length is 1.46 Å. The C(5)-N(2) bond length is 1.36 Å. The C(5)-N(5) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. There are five 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 3-coordinate geometry to one Cd(1), one C(5), and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.32 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one N(3), one N(5), and one H(6) atom. The N(4)-N(5) bond length is 1.34 Å. The N(4)-H(6) bond length is 1.81 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one C(5), one N(4), and one H(5) atom. The N(5)-H(5) bond length is 1.72 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(5) and one O(1) atom. The H(5)-O(1) bond length is 1.01 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) and one O(1) atom. The H(6)-O(1) bond length is 1.00 Å. O(1) is bonded in a distorted water-like geometry to one Cd(1), one H(5), and one H(6) atom. Linkers: 4 c1cc(C2=NN=N[N]2)ccn1. Metal clusters: 2 O.O.[Cd]. The MOF has largest included sphere 1.80 A, density 2.03 g/cm3, surface area 3619.33 m2/g, accessible volume 0.06 cm3/g