CdC7N4H6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a tetrahedral geometry to one N(2), one N(3), one N(6), and one N(7) atom. The Cd(1)-N(2) bond length is 2.21 Å. The Cd(1)-N(3) bond length is 2.21 Å. The Cd(1)-N(6) bond length is 2.24 Å. The Cd(1)-N(7) bond length is 2.23 Å. In the second Cd site, Cd(2) is bonded in a tetrahedral geometry to one N(1), one N(4), one N(5), and one N(8) atom. The Cd(2)-N(1) bond length is 2.23 Å. The Cd(2)-N(4) bond length is 2.24 Å. The Cd(2)-N(5) bond length is 2.20 Å. The Cd(2)-N(8) bond length is 2.20 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one C(2), one C(5), one H(3), and one H(4) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-C(5) bond length is 1.50 Å. The C(1)-H(3) bond length is 1.10 Å. The C(1)-H(4) bond length is 1.10 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(2) atom. The C(4)-N(2) bond length is 1.35 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(6), and one C(7) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(7) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one H(5) atom. The C(6)-N(3) bond length is 1.35 Å. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(4), and one H(6) atom. The C(7)-N(4) bond length is 1.35 Å. The C(7)-H(6) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted water-like geometry to one C(12), one C(9), one H(10), and one H(9) atom. The C(8)-C(12) bond length is 1.50 Å. The C(8)-C(9) bond length is 1.50 Å. The C(8)-H(10) bond length is 1.10 Å. The C(8)-H(9) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(11) bond length is 1.40 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(5), and one H(7) atom. The C(10)-N(5) bond length is 1.35 Å. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a 3-coordinate geometry to one C(9), one N(6), and one H(8) atom. The C(11)-N(6) bond length is 1.35 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(8) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(14) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one N(7), and one H(11) atom. The C(13)-N(7) bond length is 1.35 Å. The C(13)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(8), and one H(12) atom. The C(14)-N(8) bond length is 1.35 Å. The C(14)-H(12) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(5) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(10), and one N(6) atom. The N(5)-N(6) bond length is 1.36 Å. In the second N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(11), and one N(5) atom. In the third N site, N(7) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(13), and one N(8) atom. The N(7)-N(8) bond length is 1.36 Å. In the fourth N site, N(8) is bonded in a 3-coordinate geometry to one Cd(2), one C(14), and one N(7) atom. In the fifth N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the sixth N site, N(2) is bonded in a 3-coordinate geometry to one Cd(1), one C(4), and one N(1) atom. In the seventh N site, N(3) is bonded in a 3-coordinate geometry to one Cd(1), one C(6), and one N(4) atom. The N(3)-N(4) bond length is 1.37 Å. In the eighth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(7), and one N(3) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(8) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. Linkers: 3 [CH]1N=NC=C1CC1=C[N]N=C1 ,4 C1=N[N]C=C1C[C]1C=NN=C1 ,1 [CH]1N=NC=C1CC1=CN=N[CH]1. Metal clusters: 8 [Cd]. The MOF has largest included sphere 4.67 A, density 1.67 g/cm3, surface area 3748.42 m2/g, accessible volume 0.22 cm3/g