Fe3C36O13 crystallizes in the hexagonal P-62c space group. Fe(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. The Fe(1)-O(3) bond length is 2.10 Å. Both Fe(1)-O(1) bond lengths are 1.98 Å. Both Fe(1)-O(2) bond lengths are 1.95 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(1)-C(2) bond length is 1.31 Å. The C(1)-C(5) bond length is 1.46 Å. The C(1)-C(6) bond length is 1.59 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(3) atom. The C(2)-C(3) bond length is 1.33 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(4) atom. The C(3)-C(4) bond length is 1.48 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(4)-C(4) bond length is 1.35 Å. The C(4)-C(5) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a bent 120 degrees geometry to one C(1) and one C(4) atom. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(6)-O(1) bond length is 1.26 Å. The C(6)-O(2) bond length is 1.28 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1) and one C(6) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(6) atom. Linkers: 6 [O][C]([O])C1=[C][C]2[C][C]C([C]([O])[O])=[C][C]2[C][C]1. 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 5.45 A, density 1.26 g/cm3, surface area 3181.22 m2/g, accessible volume 0.37 cm3/g