CdC20H18(N6O)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CdC20H18(N6O)2 cluster. Cd(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(3), and two equivalent O(1) atoms. Both Cd(1)-N(1) bond lengths are 2.29 Å. Both Cd(1)-N(3) bond lengths are 2.40 Å. Both Cd(1)-O(1) bond lengths are 2.50 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(1), and one H(1) atom. The C(1)-C(3) bond length is 1.37 Å. The C(1)-N(1) bond length is 1.38 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(7) atom. The C(2)-N(1) bond length is 1.33 Å. The C(2)-N(2) bond length is 1.37 Å. The C(2)-H(7) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(2), and one H(6) atom. The C(3)-N(2) bond length is 1.39 Å. The C(3)-H(6) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(10), one C(9), and one N(2) atom. The C(4)-C(10) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.40 Å. The C(4)-N(2) bond length is 1.42 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one C(6), one N(3), and one N(6) atom. The C(5)-C(6) bond length is 1.46 Å. The C(5)-N(3) bond length is 1.36 Å. The C(5)-N(6) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(8) 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) and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(6) and one H(5) atom. The C(8)-H(5) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(8) atom. The C(9)-H(8) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(4) and one H(9) atom. The C(10)-H(9) bond length is 1.09 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(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cd(1), one C(5), and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a water-like geometry to one N(3) and one N(5) atom. The N(4)-N(5) bond length is 1.31 Å. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one C(5) and one N(5) atom. There are nine 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 O(1) atom. The H(2)-O(1) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. The H(3)-O(1) bond length is 1.00 Å. 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(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. O(1) is bonded in a water-like geometry to one Cd(1), one H(2), and one H(3) atom. Linkers: 2 c1cn(-c2ccc(C3=NN=N[N]3)cc2)cn1 ,2 [c]1cn(-c2ccc(C3=NN=N[N]3)cc2)cn1. Metal clusters: 1 O.O.[Cd]. The MOF has largest included sphere 2.00 A, density 1.88 g/cm3, surface area 4147.19 m2/g, accessible volume 0.10 cm3/g