Fe3C42H18S3O19 crystallizes in the hexagonal P6_322 space group. Fe(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing FeO5 square pyramids. The Fe(1)-O(4) bond length is 1.92 Å. Both Fe(1)-O(1) bond lengths are 2.03 Å. Both Fe(1)-O(3) bond lengths are 2.01 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(1), and one O(3) atom. The C(1)-C(6) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.23 Å. The C(1)-O(3) bond length is 1.29 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(2)-C(6) bond length is 1.44 Å. The C(2)-H(3) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(6), one C(7), and one H(1) atom. The C(3)-C(6) bond length is 1.35 Å. The C(3)-C(7) bond length is 1.40 Å. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a single-bond geometry to 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 0.95 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(7) atom. The C(5)-C(5) bond length is 1.49 Å. The C(5)-C(7) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(3), one C(5), and one S(1) atom. The C(7)-S(1) bond length is 1.77 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) 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 one C(2) atom. S(1) is bonded in a distorted bent 120 degrees geometry to two equivalent C(7) and two equivalent O(2) atoms. Both S(1)-O(2) bond lengths are 1.46 Å. There are four 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 single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. Linkers: 6 [O]C(=O)c1ccc2c(c1)S(=O)(=O)c1cc(C([O])=O)ccc1-2. Metal clusters: 2 [C]1O[Fe]23O[C]O[Fe]45(O1)O[C]O[Fe](O[C]O2)(O[C]O3)(O[C]O4)O5. RCSR code: acs. The MOF has largest included sphere 6.93 A, density 1.01 g/cm3, surface area 3928.24 m2/g, accessible volume 0.61 cm3/g