Cd3H24(C9N7)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one C(7), one C(8), one C(9), one N(1), one N(3), and one N(6) atom to form CdC3N3 octahedra that share  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra, and corners with two equivalent C(5)H2N2 tetrahedra. The Cd(1)-C(7) bond length is 2.29 Å. The Cd(1)-C(8) bond length is 2.34 Å. The Cd(1)-C(9) bond length is 2.30 Å. The Cd(1)-N(1) bond length is 2.54 Å. The Cd(1)-N(3) bond length is 2.65 Å. The Cd(1)-N(6) bond length is 2.41 Å. In the second Cd site, Cd(2) is bonded to two equivalent N(2), two equivalent N(5), and two equivalent N(7) atoms to form CdN6 octahedra that share corners with two equivalent C(1)H2N2 tetrahedra, corners with two equivalent C(2)H2N2 tetrahedra, and corners with two equivalent C(6)H2N2 tetrahedra. Both Cd(2)-N(2) bond lengths are 2.52 Å. Both Cd(2)-N(5) bond lengths are 2.30 Å. Both Cd(2)-N(7) bond lengths are 2.32 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded to one N(2), one N(3), one H(1), and one H(2) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)C3N3 octahedra,  a cornercorner with one Cd(2)N6 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles range from 64-68°. The C(1)-N(2) bond length is 1.49 Å. The C(1)-N(3) bond length is 1.47 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded to one N(1), one N(2), one H(3), and one H(4) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)C3N3 octahedra,  a cornercorner with one Cd(2)N6 octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. The C(2)-N(1) bond length is 1.48 Å. The C(2)-N(2) bond length is 1.48 Å. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. In the third C site, C(3) is bonded to one N(1), one N(4), one H(5), and one H(6) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)C3N3 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(4)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. The C(3)-N(1) bond length is 1.49 Å. The C(3)-N(4) bond length is 1.46 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded to one N(3), one N(4), one H(7), and one H(8) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(1)C3N3 octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. The C(4)-N(3) bond length is 1.49 Å. The C(4)-N(4) bond length is 1.46 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to one N(1), one N(3), one H(10), and one H(9) atom to form CH2N2 tetrahedra that share corners with two equivalent Cd(1)C3N3 octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra, and  a cornercorner with one C(4)H2N2 tetrahedra. The corner-sharing octahedral tilt angles range from 67-72°. The C(5)-N(1) bond length is 1.48 Å. The C(5)-N(3) bond length is 1.48 Å. The C(5)-H(10) bond length is 1.10 Å. The C(5)-H(9) bond length is 1.10 Å. In the sixth C site, C(6) is bonded to one N(2), one N(4), one H(11), and one H(12) atom to form CH2N2 tetrahedra that share  a cornercorner with one Cd(2)N6 octahedra,  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(3)H2N2 tetrahedra, and  a cornercorner with one C(4)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The C(6)-N(2) bond length is 1.50 Å. The C(6)-N(4) bond length is 1.46 Å. The C(6)-H(11) bond length is 1.10 Å. The C(6)-H(12) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one N(6) atom. The C(7)-N(6) bond length is 1.17 Å. In the eighth C site, C(8) is bonded in a distorted linear geometry to one Cd(1) and one N(7) atom. The C(8)-N(7) bond length is 1.17 Å. In the ninth C site, C(9) is bonded in a distorted linear geometry to one Cd(1) and one N(5) atom. The C(9)-N(5) bond length is 1.17 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded to one Cd(1), one C(2), one C(3), and one C(5) atom to form distorted corner-sharing NCdC3 tetrahedra. In the second N site, N(2) is bonded to one Cd(2), one C(1), one C(2), and one C(6) atom to form distorted corner-sharing NCdC3 tetrahedra. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one C(1), one C(4), and one C(5) atom. In the fourth N site, N(4) is bonded in a trigonal non-coplanar geometry to one C(3), one C(4), and one C(6) atom. In the fifth N site, N(5) is bonded in a distorted linear geometry to one Cd(2) and one C(9) atom. In the sixth N site, N(6) is bonded in a distorted linear geometry to one Cd(1) and one C(7) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to one Cd(2) and one C(8) atom. There are twelve 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. Linkers: 1 [CH2].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C]#N.[C][N][CH2].[Cd].[Cd].[Cd].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][Cd].[N][Cd].[N][Cd].[N][Cd][N] ,1 [H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N][C][N][CH]N([Cd][N])[CH2].[CH2][N][Cd][N]#[C].[C][N][CH][N].[C][N][C].[C][N][CH].[C]#N.[C]#N.[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[Cd].[Cd].[Cd].[Cd].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH2].[CH2] ,1 [CH2].[CH2].[CH2].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N][Cd][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#N.[C][N].[C][N][CH2].[Cd].[Cd].[Cd].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][C][N]C[N][Cd].[N][Cd].[N][Cd][N] ,1 [H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N][C]N([C])[C].[CH2][N]C[N][C][N].[CH][N][Cd][N].[C][N][C].[C][N][CH].[Cd][N]#[C].[CH][N][CH2].[C][N].[C]#N.[C]#N.[C]#N.[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[Cd].[Cd].[Cd].[Cd].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH2].[CH2] ,1 [H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[CH2]N([Cd][N]#[C])[CH][N][C][N].[C][N][CH].[Cd][N]#[C].[C]#N.[C]#N.[C]#N.[N][Cd].[CH2][N].[CH2][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[Cd].[Cd].[Cd].[Cd].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH2].[CH2].[CH2].[CH2] ,1 [H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N][C]N([C])[CH].[N]C[N][Cd][N]#[C].[CH][N][Cd][N]#[C].[C][N][C][N].[C][N][C].[C][N][CH].[C]#N.[C]#N.[CH2][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[Cd].[Cd].[Cd].[Cd].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH2].[CH2]. Metal clusters: 2 [Cd]. The MOF has largest included sphere 2.15 A, density 2.02 g/cm3, surface area 3422.06 m2/g, accessible volume 0.11 cm3/g