CdH2(C3N4)2 crystallizes in the cubic Pm-3m space group. Cd(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. All Cd(1)-N(1) bond lengths are 2.32 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2) and two equivalent N(2) atoms. The C(1)-C(2) bond length is 1.47 Å. Both C(1)-N(2) bond lengths are 1.33 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1) and two equivalent C(3) atoms. Both C(2)-C(3) bond lengths are 1.39 Å. In the third C site, C(3) is bonded in a single-bond geometry to two equivalent C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one N(1), and one N(2) atom. The N(1)-N(1) bond length is 1.32 Å. The N(1)-N(2) bond length is 1.33 Å. In the second N site, N(2) is bonded in a water-like geometry to one C(1) and one N(1) atom. H(1) is bonded in a single-bond geometry to one C(3) atom. Linkers: 8 c1c(C2=NN=N[N]2)cc(C2=NN=N[N]2)cc1C1=NN=N[N]1. Metal clusters: 3 N1=N[Cd]23=NN=[Cd]14N=N[Cd]1(=NN=[Cd](N=N2)(N=N1)N=N3)N=N4. The MOF has largest included sphere 16.18 A, density 0.82 g/cm3, surface area 3249.82 m2/g, accessible volume 0.88 cm3/g