CsC5H4(NO2)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent H(3), one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There is one shorter (3.21 Å) and one longer (3.23 Å) Cs(1)-H(3) bond length. The Cs(1)-O(4) bond length is 3.28 Å. The Cs(1)-O(5) bond length is 3.16 Å. The Cs(1)-O(6) bond length is 3.58 Å. There is one shorter (3.19 Å) and one longer (3.24 Å) Cs(1)-O(1) bond length. There is one shorter (3.21 Å) and one longer (3.30 Å) Cs(1)-O(2) bond length. There are a spread of Cs(1)-O(3) bond distances ranging from 3.29-3.52 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one O(2) atom. The C(1)-C(5) bond length is 1.46 Å. The C(1)-N(3) bond length is 1.40 Å. The C(1)-O(2) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(3), and one H(1) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-N(3) bond length is 1.32 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.43 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.38 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(1), one C(4), and one N(1) atom. The C(5)-N(1) bond length is 1.44 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(5), one O(3), and one O(4) atom. The N(1)-O(3) bond length is 1.25 Å. The N(1)-O(4) bond length is 1.25 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(3), one O(5), and one O(6) atom. The N(2)-O(5) bond length is 1.25 Å. The N(2)-O(6) bond length is 1.25 Å. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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 two equivalent Cs(1) and one O(1) atom. The H(3)-O(1) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. The H(4)-O(1) bond length is 0.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Cs(1), one H(3), and one H(4) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cs(1) and one N(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cs(1) and one N(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cs(1) and one N(2) atom. Linkers: 2 O=C1N=CC([N+](=O)[O-])=C[C]1[N+](=O)[O-] ,2 O=C1N=C[C]([N+](=O)[O-])C=C1[N+](=O)[O-]. Metal clusters: 4 [Cs]. The MOF has largest included sphere 1.59 A, density 2.39 g/cm3, surface area 3226.00 m2/g, accessible volume 0.06 cm3/g