CdH10(C5N3)2 crystallizes in the cubic Ia-3d space group. Cd(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one N(6) atom. The Cd(1)-N(1) bond length is 2.27 Å. The Cd(1)-N(2) bond length is 2.26 Å. The Cd(1)-N(3) bond length is 2.26 Å. The Cd(1)-N(4) bond length is 2.21 Å. The Cd(1)-N(6) bond length is 2.42 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(2) bond length is 1.34 Å. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one C(1); one H(3); and two equivalent H(1,2) atoms. The C(2)-H(3) bond length is 0.96 Å. Both C(2)-H(1,2) bond lengths are 0.96 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(4) atom. The C(3)-C(4) bond length is 1.36 Å. The C(3)-N(2) bond length is 1.36 Å. The C(3)-H(4) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one C(3), one C(9), and one N(1) atom. The C(4)-C(9) bond length is 1.47 Å. The C(4)-N(1) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one N(3) atom. The C(5)-N(3) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(5) atom. The C(6)-N(4) bond length is 1.33 Å. The C(6)-H(5) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(8), one N(3), and one N(4) atom. The C(7)-C(8) bond length is 1.49 Å. The C(7)-N(3) bond length is 1.33 Å. The C(7)-N(4) bond length is 1.34 Å. In the eighth C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(7), one H(6), one H(7), and one H(8) atom. The C(8)-H(6) bond length is 0.96 Å. The C(8)-H(7) bond length is 0.96 Å. The C(8)-H(8) bond length is 0.96 Å. In the ninth C site, C(9) is bonded in a 3-coordinate geometry to one C(4), one N(5), and one H(9) atom. The C(9)-N(5) bond length is 1.30 Å. The C(9)-H(9) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(10) atom. The C(10)-N(6) bond length is 1.29 Å. The C(10)-H(10) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(1), and one C(3) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(5), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cd(1), one C(6), and one C(7) atom. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one C(9) and one N(6) atom. The N(5)-N(6) bond length is 1.40 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cd(1), one C(10), and one N(5) atom. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(3) 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(8) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. Linkers: 40 CC1=N[C]([CH][N][N]/C=C2/C=NC(C)=N2)C=N1 ,7 CC1=N[CH]/C(=C/[N][N][CH][C]2C=NC(C)=N2)[N]1 ,1 CC1=N[CH]/C(=C/[N][N][CH]C2=CN=C(C)[N]2)[N]1. Metal clusters: 48 [Cd]. The MOF has largest included sphere 9.18 A, density 0.96 g/cm3, surface area 3961.27 m2/g, accessible volume 0.71 cm3/g