FeC8H4O5 crystallizes in the tetragonal I4_122 space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 55°. Both Fe(1)-O(1) bond lengths are 2.02 Å. Both Fe(1)-O(2) bond lengths are 2.03 Å. Both Fe(1)-O(3) bond lengths are 2.03 Å. There are five inequivalent C sites. In the first C site, C(5) is bonded in a trigonal planar geometry to one C(5) and two equivalent C(4) atoms. The C(5)-C(5) bond length is 1.48 Å. Both C(5)-C(4) bond lengths are 1.40 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(3) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(2) bond length is 1.27 Å. The C(1)-O(3) bond length is 1.28 Å. In the third C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. In the fourth C site, C(3) is bonded in a distorted single-bond geometry to two equivalent C(2) and one H(2) atom. The C(3)-H(2) bond length is 1.09 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(3) atom. The C(4)-H(3) bond length is 1.09 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(1) atom. Linkers: 2 [O]C(=O)c1cc([C]=O)cc(-c2cc(C([O])=O)cc(C([O])=O)c2)c1 ,2 [O]C(=O)c1cc(C([O])=O)cc(-c2cc(C([O])=O)cc(C([O])=O)c2)c1. Metal clusters: 4 [Fe]. The MOF has largest included sphere 7.26 A, density 1.11 g/cm3, surface area 3423.72 m2/g, accessible volume 0.50 cm3/g