CdC16H14(N4O3)2 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in an octahedral geometry to two equivalent N(4), two equivalent O(2), and two equivalent O(3) atoms. Both Cd(1)-N(4) bond lengths are 2.38 Å. Both Cd(1)-O(2) bond lengths are 2.32 Å. Both Cd(1)-O(3) bond lengths are 2.30 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(6) atom. The C(2)-C(5) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.50 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.42 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(2) atom. The C(4)-N(1) bond length is 1.34 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(3) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.28 Å. The C(6)-O(2) bond length is 1.27 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(4) atom. The C(7)-N(2) bond length is 1.36 Å. The C(7)-N(4) bond length is 1.33 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(5) atom. The C(8)-N(3) bond length is 1.32 Å. The C(8)-N(4) bond length is 1.37 Å. The C(8)-H(5) bond length is 1.08 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(4) and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one N(3) atom. The N(2)-N(3) bond length is 1.37 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(8) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(7), and one C(8) atom. There are seven 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. 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 distorted single-bond geometry to one O(1) and one O(3) atom. The H(6)-O(1) bond length is 1.66 Å. The H(6)-O(3) bond length is 1.01 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. The H(7)-O(3) bond length is 0.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one C(6) and one H(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cd(1) and one C(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cd(1), one H(6), and one H(7) atom. Linkers: 4 [O]C(=O)c1cncc(-n2cncn2)c1. Metal clusters: 2 O.O.O=[C]O[Cd]O[C]=O. The MOF has largest included sphere 1.51 A, density 1.98 g/cm3, surface area 3906.85 m2/g, accessible volume 0.10 cm3/g