CdH12(C9N7)2 crystallizes in the monoclinic C2 space group. Cd(1) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(5), and two equivalent N(6) atoms. Both Cd(1)-N(1) bond lengths are 2.38 Å. Both Cd(1)-N(5) bond lengths are 2.48 Å. Both Cd(1)-N(6) bond lengths are 2.34 Å. There are nine inequivalent C sites. In the first 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 1.33 Å. The C(1)-N(3) bond length is 1.34 Å. The C(1)-H(1) 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(2) atom. The C(2)-C(3) bond length is 1.45 Å. The C(2)-N(1) bond length is 1.37 Å. The C(2)-N(2) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one N(4), and one N(5) atom. The C(3)-N(4) bond length is 1.34 Å. The C(3)-N(5) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(6), one N(5), and one N(6) atom. The C(4)-C(6) bond length is 1.46 Å. The C(4)-N(5) bond length is 1.35 Å. The C(4)-N(6) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(3) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.39 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(9), and one H(4) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(5), one N(7), and one H(5) atom. The C(8)-N(7) bond length is 1.34 Å. The C(8)-H(5) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), one N(7), and one H(6) atom. The C(9)-N(7) bond length is 1.34 Å. The C(9)-H(6) bond length is 1.09 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate 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(2) 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 2-coordinate geometry to one C(1), one N(2), and one H(2) atom. The N(3)-H(2) bond length is 1.08 Å. In the fourth N site, N(4) is bonded in a water-like geometry to one C(3) and one N(6) atom. The N(4)-N(6) bond length is 1.36 Å. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one Cd(1), one C(3), and one C(4) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(4), and one N(4) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(8), one C(9), and one H(2) atom. The N(7)-H(2) bond length is 1.66 Å. There are six 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 linear geometry to one N(3) and one N(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. Linkers: 2 [CH]1N=C(C2=N[N]C(c3ccncc3)=N2)[N]N1. Metal clusters: 1 [Cd]. The MOF has largest included sphere 2.80 A, density 1.81 g/cm3, surface area 3902.77 m2/g, accessible volume 0.12 cm3/g