Cd3H12(C6N5)2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one C(1), two equivalent C(2), one N(1), and one N(4) atom to form CdC3N2 trigonal bipyramids that share  a cornercorner with one C(3)H2N2 tetrahedra and corners with two equivalent C(4)H2N2 tetrahedra. The Cd(1)-C(1) bond length is 2.18 Å. Both Cd(1)-C(2) bond lengths are 2.23 Å. The Cd(1)-N(1) bond length is 2.33 Å. The Cd(1)-N(4) bond length is 2.76 Å. In the second Cd site, Cd(2) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form CdN6 octahedra that share corners with two equivalent C(5)H2N2 tetrahedra and corners with four equivalent C(4)H2N2 tetrahedra. Both Cd(2)-N(3) bond lengths are 2.50 Å. All Cd(2)-N(2) bond lengths are 2.32 Å. There are five inequivalent C sites. In the first C site, C(2) is bonded in a distorted linear geometry to one Cd(1) and one N(2) atom. The C(2)-N(2) bond length is 1.17 Å. In the second C site, C(3) is bonded to two equivalent N(4) and two equivalent H(1) atoms to form CH2N2 tetrahedra that share corners with four equivalent C(4)H2N2 tetrahedra and corners with two equivalent Cd(1)C3N2 trigonal bipyramids. Both C(3)-N(4) bond lengths are 1.47 Å. Both C(3)-H(1) bond lengths are 1.10 Å. In the third C site, C(4) is bonded to one N(3), one N(4), one H(2), and one H(3) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(2)N6 octahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, corners with two equivalent C(4)H2N2 tetrahedra, and  a cornercorner with one Cd(1)C3N2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. The C(4)-N(3) bond length is 1.49 Å. The C(4)-N(4) bond length is 1.47 Å. The C(4)-H(2) bond length is 1.10 Å. The C(4)-H(3) bond length is 1.10 Å. In the fourth C site, C(5) is bonded to two equivalent N(3) and two equivalent H(4) atoms to form CH2N2 tetrahedra that share corners with two equivalent Cd(2)N6 octahedra and corners with four equivalent C(4)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. Both C(5)-N(3) bond lengths are 1.48 Å. Both C(5)-H(4) bond lengths are 1.10 Å. In the fifth C site, C(1) is bonded in a linear geometry to one Cd(1) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cd(1) and one C(1) atom. In the second N site, N(3) is bonded to one Cd(2), one C(5), and two equivalent C(4) atoms to form distorted corner-sharing NCdC3 tetrahedra. In the third N site, N(2) is bonded in a linear geometry to one Cd(2) and one C(2) atom. In the fourth N site, N(4) is bonded in a trigonal non-coplanar geometry to one Cd(1), one C(3), and two equivalent C(4) atoms. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one C(4) atom. Linkers: 1 C1N2CN3CN1CN(C2)C3. Metal clusters: 6 [Cd]. The MOF has largest included sphere 3.95 A, density 1.89 g/cm3, surface area 3174.88 m2/g, accessible volume 0.19 cm3/g