CdC8N3H5O4CHC9H9(NO)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules and eight C9H9(NO)2 clusters inside a CdC8N3H5O4 framework. In each C9H9(NO)2 cluster, there are nine inequivalent C sites. In the first C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(4), and one H(5) atom. The C(8)-N(4) bond length is 1.44 Å. The C(8)-H(4) bond length is 1.10 Å. The C(8)-H(5) bond length is 1.10 Å. In the second C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(4), and one O(2) atom. The C(9)-C(10) bond length is 1.50 Å. The C(9)-N(4) bond length is 1.35 Å. The C(9)-O(2) bond length is 1.25 Å. In the third C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(15) bond length is 1.40 Å. In the fourth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(6) atom. The C(11)-H(6) bond length is 1.09 Å. In the fifth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(8) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-H(8) bond length is 1.09 Å. In the sixth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(16) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(16) bond length is 1.50 Å. In the seventh C site, C(15) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one H(9) atom. The C(15)-H(9) bond length is 1.09 Å. In the eighth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(5), and one O(3) atom. The C(16)-N(5) bond length is 1.35 Å. The C(16)-O(3) bond length is 1.25 Å. In the ninth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one N(5), one H(10), and one H(11) atom. The C(17)-N(5) bond length is 1.44 Å. The C(17)-H(10) bond length is 1.10 Å. The C(17)-H(11) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one C(8), one C(9), and one H(14) atom. The N(4)-H(14) bond length is 1.03 Å. In the second N site, N(5) is bonded in a trigonal planar geometry to one C(16), one C(17), and one H(15) atom. The N(5)-H(15) bond length is 1.02 Å. There are nine inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(14) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(15) is bonded in a single-bond geometry to one N(5) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one C(9) atom. In the second O site, O(3) is bonded in a single-bond geometry to one C(16) atom. In the CdC8N3H5O4 framework, Cd(1) is bonded in a 6-coordinate geometry to one N(1), one O(4), two equivalent O(1), and two equivalent O(6) atoms. The Cd(1)-N(1) bond length is 2.21 Å. The Cd(1)-O(4) bond length is 2.25 Å. There is one shorter (2.42 Å) and one longer (2.60 Å) Cd(1)-O(1) bond length. There is one shorter (2.31 Å) and one longer (2.47 Å) Cd(1)-O(6) bond length. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) 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 distorted bent 120 degrees geometry to one C(1), one N(2), and one H(2) atom. The C(2)-N(2) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(2) bond length is 1.36 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one C(6), and one N(2) atom. The C(4)-C(5) bond length is 1.35 Å. The C(4)-C(6) bond length is 1.48 Å. The C(4)-N(2) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. The C(5)-C(6) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one C(5), and one N(3) atom. The C(6)-N(3) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(6) atom. The C(7)-O(1) bond length is 1.26 Å. The C(7)-O(6) bond length is 1.28 Å. In the eighth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. The C(18)-O(4) bond length is 1.30 Å. The C(18)-O(5) bond length is 1.25 Å. 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(1), and one C(3) 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 trigonal planar geometry to one C(6), one H(12), and one H(13) atom. The N(3)-H(12) bond length is 1.01 Å. The N(3)-H(13) bond length is 1.01 Å. There are five 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(12) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one N(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one C(7) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(18) atom. In the third O site, O(5) is bonded in a single-bond geometry to one C(18) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one C(7) atom. Linkers: 2 Nc1[c]c(-n2ccnc2)c(N)[c]c1-n1ccnc1 ,4 [O]C(=O)CNC(=O)c1cccc(C(=O)NCC([O])=O)c1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 5.33 A, density 1.54 g/cm3, surface area 3988.13 m2/g, accessible volume 0.19 cm3/g