CdC17N3H12O4 crystallizes in the tetragonal I4_1/a space group. Cd(1) is bonded to one N(1), one N(2), one N(3), one O(1), and two equivalent O(3) atoms to form distorted edge-sharing CdN3O3 pentagonal pyramids. The Cd(1)-N(1) bond length is 2.35 Å. The Cd(1)-N(2) bond length is 2.23 Å. The Cd(1)-N(3) bond length is 2.28 Å. The Cd(1)-O(1) bond length is 2.57 Å. There is one shorter (2.31 Å) and one longer (2.46 Å) Cd(1)-O(3) bond length. There are seventeen inequivalent C sites. In the first C site, C(7) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(7)-C(3) bond length is 1.40 Å. The C(7)-H(2) bond length is 1.09 Å. In the second C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(8)-N(1) bond length is 1.35 Å. The C(8)-H(3) bond length is 1.09 Å. In the third C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(3), and one H(4) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-C(3) bond length is 1.41 Å. The C(9)-H(4) bond length is 1.09 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(5) atom. The C(10)-N(1) bond length is 1.35 Å. The C(10)-H(5) bond length is 1.09 Å. In the fifth C site, C(11) is bonded in a distorted single-bond geometry to one N(3) atom. The C(11)-N(3) bond length is 1.37 Å. In the sixth C site, C(12) is bonded in a distorted single-bond geometry to one C(16), one C(6), and one H(6) atom. The C(12)-C(16) bond length is 1.40 Å. The C(12)-C(6) bond length is 1.40 Å. The C(12)-H(6) bond length is 1.09 Å. In the seventh C site, C(13) is bonded in a distorted single-bond geometry to one C(6) and one H(7) atom. The C(13)-C(6) bond length is 1.41 Å. The C(13)-H(7) bond length is 1.09 Å. In the eighth C site, C(14) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(17) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(16) bond length is 1.40 Å. The C(14)-C(17) bond length is 1.50 Å. In the ninth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(8) atom. The C(15)-H(8) bond length is 1.09 Å. In the tenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(9) atom. The C(16)-H(9) bond length is 1.09 Å. In the eleventh C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. The C(1)-O(2) bond length is 1.27 Å. The C(1)-O(3) bond length is 1.28 Å. In the twelfth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one H(10), one H(11), and one H(12) atom. The C(17)-H(10) bond length is 1.10 Å. The C(17)-H(11) bond length is 1.10 Å. The C(17)-H(12) bond length is 1.10 Å. In the thirteenth C site, C(2) is bonded in a bent 120 degrees geometry to one O(1) and one O(4) atom. The C(2)-O(1) bond length is 1.24 Å. The C(2)-O(4) bond length is 1.32 Å. In the fourteenth C site, C(3) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(3)-C(3) bond length is 1.48 Å. In the fifteenth C site, C(4) is bonded in a distorted single-bond geometry to one N(2) atom. The C(4)-N(2) bond length is 1.37 Å. In the sixteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(2), and one N(3) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-N(2) bond length is 1.35 Å. The C(5)-N(3) bond length is 1.35 Å. In the seventeenth C site, C(6) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(5) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(10), and one C(8) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(4), and one C(5) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(11), and one C(5) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. The H(1)-O(2) bond length is 1.40 Å. The H(1)-O(4) bond length is 1.08 Å. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cd(1) and one C(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(2) and one H(1) atom. Linkers: 2 Cc1ccc(C2=NC(C([O])=O)=C(C(=O)O)[N]2)cc1 ,4 c1cc(-c2ccncc2)ccn1 ,5 Cc1ccc(C2=N[C](C(=O)O)C(C([O])=O)=N2)cc1. Metal clusters: 8 [Cd]. The MOF has largest included sphere 5.38 A, density 1.46 g/cm3, surface area 4039.19 m2/g, accessible volume 0.25 cm3/g