CdC4N9H5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to two equivalent N(4), two equivalent N(6), and two equivalent N(8) atoms. Both Cd(1)-N(4) bond lengths are 2.35 Å. Both Cd(1)-N(6) bond lengths are 2.39 Å. Both Cd(1)-N(8) bond lengths are 2.42 Å. In the second Cd site, Cd(2) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(9) atoms. Both Cd(2)-N(1) bond lengths are 2.33 Å. Both Cd(2)-N(2) bond lengths are 2.35 Å. Both Cd(2)-N(9) bond lengths are 2.50 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one N(9), one H(2), and one H(3) atom. The C(2)-N(9) bond length is 1.48 Å. The C(2)-H(2) bond length is 1.10 Å. The C(2)-H(3) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one N(8) atom. The C(3)-C(4) bond length is 1.50 Å. The C(3)-N(5) bond length is 1.34 Å. The C(3)-N(8) bond length is 1.35 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one N(9), one H(4), and one H(5) atom. The C(4)-N(9) bond length is 1.48 Å. The C(4)-H(4) bond length is 1.10 Å. The C(4)-H(5) bond length is 1.10 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cd(2), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.31 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 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cd(1), one C(1), and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(3) and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cd(1), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.32 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(7) atom. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Cd(2), one C(2), one C(4), and one H(1) atom. The N(9)-H(1) bond length is 1.03 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(9) 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(2) 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 C(4) atom. Linkers: 4 C(NCC1=NN=N[N]1)C1=NN=N[N]1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 3.20 A, density 2.19 g/cm3, surface area 3081.52 m2/g, accessible volume 0.12 cm3/g