CdH12(C8N7)2(CH)2 crystallizes in the trigonal R-3 space group. The structure consists of eighteen 02329_fluka molecules inside a CdH12(C8N7)2 framework. In the CdH12(C8N7)2 framework, there are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. All Cd(1)-N(1) bond lengths are 2.37 Å. In the second Cd site, Cd(2) is bonded in an octahedral geometry to three equivalent N(2) and three equivalent N(7) atoms. All Cd(2)-N(2) bond lengths are 2.35 Å. All Cd(2)-N(7) bond lengths are 2.32 Å. There are eight 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 1.30 Å. The C(1)-N(3) bond length is 1.36 Å. The C(1)-H(1) bond length is 0.93 Å. In the second 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 1.30 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(3), and one N(4) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-N(3) bond length is 1.43 Å. The C(3)-N(4) bond length is 1.32 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(5) atom. The C(6)-C(7) bond length is 1.37 Å. The C(6)-H(5) bond length is 0.93 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one N(4), and one N(5) atom. The C(7)-N(4) bond length is 1.33 Å. The C(7)-N(5) bond length is 1.42 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(6) atom. The C(8)-N(5) bond length is 1.35 Å. The C(8)-N(7) bond length is 1.29 Å. The C(8)-H(6) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(7) atom. The C(9)-N(5) bond length is 1.34 Å. The C(9)-N(6) bond length is 1.30 Å. The C(9)-H(7) bond length is 0.93 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 N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(3) and one C(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(7), one C(8), and one C(9) atom. In the sixth N site, N(6) is bonded in a water-like geometry to one C(9) and one N(7) atom. The N(6)-N(7) bond length is 1.38 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(8), and one N(6) atom. 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 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(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. Linkers: 18 c1cc(-n2cnnc2)nc(-n2cnnc2)c1. Metal clusters: 3 [N]1[N][Cd]234([N][N][Cd]1[N][N]2)[N][N][Cd]([N][N]3)[N][N]4. The MOF has largest included sphere 4.57 A, density 1.14 g/cm3, surface area 4332.08 m2/g, accessible volume 0.39 cm3/g