Fe3C18H6O13 crystallizes in the monoclinic C2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing FeO5 square pyramids. The Fe(1)-O(1) bond length is 2.14 Å. The Fe(1)-O(2) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.06 Å. The Fe(1)-O(6) bond length is 2.15 Å. The Fe(1)-O(7) bond length is 2.26 Å. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. Both Fe(2)-O(3) bond lengths are 2.17 Å. Both Fe(2)-O(5) bond lengths are 2.06 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(1)-C(4) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-C(8) bond length is 1.51 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(9) atom. The C(2)-C(6) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.49 Å. The C(2)-C(9) bond length is 1.39 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(9) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(5) bond length is 1.50 Å. The C(3)-C(9) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(4)-H(1) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(4), and one O(6) atom. The C(5)-O(4) bond length is 1.25 Å. The C(5)-O(6) bond length is 1.25 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one H(2) atom. The C(6)-H(2) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(5) atom. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(5) bond length is 1.26 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(2), and one O(3) atom. The C(8)-O(2) bond length is 1.25 Å. The C(8)-O(3) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one H(3) atom. The C(9)-H(3) bond length is 0.93 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) 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 C(9) atom. There are seven 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(7) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(8) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one C(7) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(5) atom. In the seventh O site, O(7) is bonded in a water-like geometry to two equivalent Fe(1) atoms. Linkers: 2 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 3 [Fe]. The MOF has largest included sphere 4.32 A, density 1.71 g/cm3, surface area 2964.80 m2/g, accessible volume 0.18 cm3/g