CdH4(C3N5)2 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in a distorted pentagonal bipyramidal geometry to one N(1), one N(10), one N(3), one N(4), one N(6), one N(7), and one N(8) atom. The Cd(1)-N(1) bond length is 2.27 Å. The Cd(1)-N(10) bond length is 2.27 Å. The Cd(1)-N(3) bond length is 2.44 Å. The Cd(1)-N(4) bond length is 2.67 Å. The Cd(1)-N(6) bond length is 2.63 Å. The Cd(1)-N(7) bond length is 2.50 Å. The Cd(1)-N(8) bond length is 2.52 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(3) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(3) atom. The C(2)-C(3) bond length is 1.45 Å. The C(2)-N(1) bond length is 1.36 Å. The C(2)-N(3) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(2), one N(5), and one N(6) atom. The C(3)-N(5) bond length is 1.38 Å. The C(3)-N(6) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a distorted water-like geometry to one C(5), one N(5), and one N(7) atom. The C(4)-C(5) bond length is 1.44 Å. The C(4)-N(5) bond length is 1.37 Å. The C(4)-N(7) bond length is 1.33 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(8), and one N(9) atom. The C(5)-N(8) bond length is 1.36 Å. The C(5)-N(9) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(10), one N(8), and one H(4) atom. The C(6)-N(10) bond length is 1.35 Å. The C(6)-N(8) bond length is 1.34 Å. The C(6)-H(4) bond length is 1.09 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(1) and one N(3) atom. The N(2)-N(3) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(2), and one N(2) atom. In the fourth N site, N(4) is bonded in a water-like geometry to one Cd(1), one N(5), one H(1), and one H(2) atom. The N(4)-N(5) bond length is 1.40 Å. The N(4)-H(1) bond length is 1.02 Å. The N(4)-H(2) bond length is 1.04 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(3), one C(4), and one N(4) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(7) atom. The N(6)-N(7) bond length is 1.37 Å. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one N(6) atom. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Cd(1), one C(5), and one C(6) atom. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one C(5) and one N(10) atom. The N(9)-N(10) bond length is 1.36 Å. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Cd(1), one C(6), and one N(9) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. Linkers: 4 Nn1c(nnc1C1=[N]=CN=N1)C1=[N]=CN=N1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 2.81 A, density 2.04 g/cm3, surface area 3026.67 m2/g, accessible volume 0.14 cm3/g