Cd3C38H22(NO3)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(1), one N(2), one O(2), one O(5), one O(6), and two equivalent O(1) atoms to form distorted edge-sharing CdN2O5 pentagonal bipyramids. The Cd(1)-N(1) bond length is 2.30 Å. The Cd(1)-N(2) bond length is 2.32 Å. The Cd(1)-O(2) bond length is 2.31 Å. The Cd(1)-O(5) bond length is 2.32 Å. The Cd(1)-O(6) bond length is 2.55 Å. There is one shorter (2.29 Å) and one longer (2.69 Å) Cd(1)-O(1) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Both Cd(2)-O(3) bond lengths are 2.32 Å. Both Cd(2)-O(4) bond lengths are 2.34 Å. Both Cd(2)-O(6) bond lengths are 2.34 Å. There are nineteen inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.26 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(7) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.37 Å. In the third C site, C(3) is bonded in a single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-C(9) bond length is 1.50 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(2) bond length is 0.93 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 1.39 Å. The C(6)-C(8) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.24 Å. The C(8)-O(4) bond length is 1.27 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(5), and one O(6) atom. The C(9)-O(5) bond length is 1.25 Å. The C(9)-O(6) bond length is 1.27 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(10)-N(1) bond length is 1.35 Å. The C(10)-H(4) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(5) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(5) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(17) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-C(17) bond length is 1.47 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(13)-H(6) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7) atom. The C(14)-N(1) bond length is 1.33 Å. The C(14)-H(7) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a 3-coordinate geometry to one C(16), one N(2), and one H(8) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-N(2) bond length is 1.35 Å. The C(15)-H(8) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a single-bond geometry to one C(15), one C(17), and one H(9) atom. The C(16)-C(17) bond length is 1.41 Å. The C(16)-H(9) bond length is 0.93 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(18) atom. The C(17)-C(18) bond length is 1.38 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(10) atom. The C(18)-H(10) bond length is 0.93 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(11) atom. The C(19)-N(2) bond length is 1.32 Å. The C(19)-H(11) bond length is 0.93 Å. There are two 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(14) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(1), one C(15), and one C(19) atom. There are eleven 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(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) 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(18) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(19) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in an L-shaped geometry to one Cd(2) and one C(8) atom. In the second O site, O(4) is bonded in a distorted L-shaped geometry to one Cd(2) and one C(8) atom. In the third O site, O(5) is bonded in a water-like geometry to one Cd(1) and one C(9) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one C(9) atom. In the fifth O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Cd(1) and one C(1) atom. In the sixth O site, O(2) is bonded in a distorted water-like geometry to one Cd(1) and one C(1) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,2 c1cc(-c2ccncc2)ccn1. Metal clusters: 6 [Cd]. The MOF has largest included sphere 4.48 A, density 1.76 g/cm3, surface area 3504.55 m2/g, accessible volume 0.18 cm3/g