CdC9H8(NO2)2(CH3)3CHCH2 crystallizes in the hexagonal P6_1 space group. The structure consists of six 02329_fluka molecules, six 02329_fluka molecules, and eighteen 02329_fluka molecules inside a CdC9H8(NO2)2 framework. In the CdC9H8(NO2)2 framework, Cd(1) is bonded in a 7-coordinate geometry to one N(1), one N(2), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. The Cd(1)-N(1) bond length is 2.37 Å. The Cd(1)-N(2) bond length is 2.32 Å. The Cd(1)-O(2) bond length is 2.41 Å. The Cd(1)-O(3) bond length is 2.50 Å. The Cd(1)-O(4) bond length is 2.36 Å. There is one shorter (2.43 Å) and one longer (2.74 Å) Cd(1)-O(1) bond length. There are nine inequivalent C sites. In the first C site, C(5) is bonded in a 2-coordinate geometry to one N(1) and one H(10) atom. The C(5)-N(1) bond length is 1.47 Å. The C(5)-H(10) bond length is 1.10 Å. In the second C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one H(11) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(9) bond length is 1.39 Å. The C(6)-H(11) bond length is 1.09 Å. In the third C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(6), and one C(8) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.51 Å. In the fourth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one N(1), one H(12), and one H(13) atom. The C(8)-N(1) bond length is 1.48 Å. The C(8)-H(12) bond length is 1.10 Å. The C(8)-H(13) bond length is 1.10 Å. In the fifth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one N(2), and one H(14) atom. The C(9)-N(2) bond length is 1.34 Å. The C(9)-H(14) bond length is 1.09 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(15) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-N(2) bond length is 1.35 Å. The C(10)-H(15) bond length is 1.09 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(7), and one H(16) atom. The C(11)-H(16) bond length is 1.09 Å. In the eighth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(12)-O(3) bond length is 1.27 Å. The C(12)-O(4) bond length is 1.29 Å. In the ninth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(14)-O(1) bond length is 1.28 Å. The C(14)-O(2) bond length is 1.27 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Cd(1), one C(5), one C(8), and one H(20) atom. The N(1)-H(20) bond length is 1.02 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(1), one C(10), and one C(9) atom. There are eight inequivalent H sites. In the first H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(13) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(14) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(16) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(20) is bonded in a single-bond geometry to one N(1) 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(14) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cd(1) and one C(14) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1) and one C(12) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(12) atom. Linkers: 6 CC(C)C[C@H](NCc1ccncc1)C([O])=O. Metal clusters: 6 [Cd]. The MOF has largest included sphere 6.87 A, density 1.18 g/cm3, surface area 4646.38 m2/g, accessible volume 0.42 cm3/g