CdC4N9H5 crystallizes in the trigonal R-3 space group. Cd(1) is bonded in a distorted octahedral geometry to one N(1), one N(2), one N(4), one N(5), one N(6), and one N(9) atom. The Cd(1)-N(1) bond length is 2.50 Å. The Cd(1)-N(2) bond length is 2.33 Å. The Cd(1)-N(4) bond length is 2.32 Å. The Cd(1)-N(5) bond length is 2.43 Å. The Cd(1)-N(6) bond length is 2.29 Å. The Cd(1)-N(9) bond length is 2.32 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(3); one N(1); and two equivalent H(1,2) atoms. The C(1)-C(3) bond length is 1.50 Å. The C(1)-N(1) bond length is 1.47 Å. Both C(1)-H(1,2) bond lengths are 0.97 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(4); one N(1); and two equivalent H(3,4) atoms. The C(2)-C(4) bond length is 1.49 Å. The C(2)-N(1) bond length is 1.47 Å. Both C(2)-H(3,4) bond lengths are 0.97 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(5) atom. The C(3)-N(2) bond length is 1.32 Å. The C(3)-N(5) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one N(6), and one N(9) atom. The C(4)-N(6) bond length is 1.33 Å. The C(4)-N(9) bond length is 1.33 Å. There are nine inequivalent N sites. In the first N site, N(6) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one N(7) atom. The N(6)-N(7) bond length is 1.35 Å. In the second N site, N(1) is bonded in a 1-coordinate geometry to one Cd(1), one C(1), one C(2), and one H(5) atom. The N(1)-H(5) bond length is 0.91 Å. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the fourth 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 1.30 Å. In the fifth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one N(3), and one N(5) atom. The N(4)-N(5) bond length is 1.35 Å. In the sixth 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 1.31 Å. In the seventh N site, N(8) is bonded in a water-like geometry to one N(7) and one N(9) atom. The N(8)-N(9) bond length is 1.36 Å. In the eighth N site, N(9) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one N(8) atom. In the ninth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(4) atom. There are three inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(1) atom. Linkers: 17 C(NCC1=NN=N[N]1)C1=NN=N[N]1. Metal clusters: 6 [Cd] ,6 [NH][Cd]1[N][N][Cd]([NH])[N][N]1. The MOF has largest included sphere 5.11 A, density 2.01 g/cm3, surface area 3035.44 m2/g, accessible volume 0.19 cm3/g