CdH6(C2N3)4 crystallizes in the orthorhombic Fdd2 space group. Cd(1) is bonded in an octahedral geometry to two equivalent N(2), two equivalent N(5), and two equivalent N(6) atoms. Both Cd(1)-N(2) bond lengths are 2.45 Å. Both Cd(1)-N(5) bond lengths are 2.26 Å. Both Cd(1)-N(6) bond lengths are 2.55 Å. There are four inequivalent C sites. In the first C site, C(3) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(3) atom. The C(3)-N(5) bond length is 1.34 Å. The C(3)-N(6) bond length is 1.36 Å. The C(3)-H(3) bond length is 1.09 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one N(3), one N(4), and one N(6) atom. The C(4)-N(3) bond length is 1.41 Å. The C(4)-N(4) bond length is 1.33 Å. The C(4)-N(6) bond length is 1.36 Å. In the third C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-N(3) bond length is 1.37 Å. The C(1)-H(1) bond length is 1.09 Å. In the fourth C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(2)-N(2) bond length is 1.32 Å. The C(2)-N(3) bond length is 1.37 Å. The C(2)-H(2) bond length is 1.08 Å. There are six inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(4) atom. In the second N site, N(4) is bonded in a distorted water-like geometry to one C(4) and one N(5) atom. The N(4)-N(5) bond length is 1.37 Å. In the third N site, N(5) is bonded in a 3-coordinate geometry to one Cd(1), one C(3), and one N(4) atom. In the fourth N site, N(1) is bonded in a distorted water-like geometry to one C(1) and one N(2) atom. The N(1)-N(2) bond length is 1.39 Å. In the fifth N site, N(6) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one C(3), and one C(4) atom. In the sixth N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(2), and one N(1) atom. There are three 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. Linkers: 4 C1=NN=C(n2cnnc2)[N]1. Metal clusters: 2 [Cd]. The MOF has largest included sphere 1.79 A, density 2.27 g/cm3, surface area 3038.78 m2/g, accessible volume 0.09 cm3/g