FeC6H6(NO3)2 crystallizes in the monoclinic Cc space group. Fe(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(2), one O(5), and one O(6) atom. The Fe(1)-N(1) bond length is 1.89 Å. The Fe(1)-N(2) bond length is 1.89 Å. The Fe(1)-O(1) bond length is 1.95 Å. The Fe(1)-O(2) bond length is 1.95 Å. The Fe(1)-O(5) bond length is 1.98 Å. The Fe(1)-O(6) bond length is 1.98 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(3) atom. The C(1)-C(3) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(2)-C(4) bond length is 1.51 Å. The C(2)-O(2) bond length is 1.29 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one N(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one N(2) atom. The C(4)-N(2) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one H(1) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(1) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(2) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(2) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(3), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one C(4), and one C(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. The H(3)-O(5) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a linear geometry to one O(3) and one O(5) atom. The H(5)-O(3) bond length is 1.58 Å. The H(5)-O(5) bond length is 1.02 Å. In the sixth H site, H(6) is bonded in a linear geometry to one O(4) and one O(6) atom. The H(6)-O(4) bond length is 1.58 Å. The H(6)-O(6) bond length is 1.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(1) and one H(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one C(2) and one H(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one H(3), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one H(4), and one H(6) atom. Linkers: 2 [O]C(=O)c1nccnc1C([O])=O. Metal clusters: 2 [Fe]. The MOF has largest included sphere 1.86 A, density 2.11 g/cm3, surface area 2980.83 m2/g, accessible volume 0.07 cm3/g