Fe3H15(C3O2)8 crystallizes in the cubic Pa-3 space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. The Fe(1)-O(1) bond length is 1.96 Å. The Fe(1)-O(2) bond length is 1.82 Å. The Fe(1)-O(3) bond length is 1.97 Å. The Fe(1)-O(4) bond length is 2.02 Å. The Fe(1)-O(5) bond length is 2.05 Å. The Fe(1)-O(6) bond length is 2.16 Å. There are eight inequivalent C sites. In the first C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(3) atom. The C(6)-C(5) bond length is 1.40 Å. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(3) bond length is 1.09 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(5) atom. The C(1)-C(5) bond length is 1.49 Å. The C(1)-O(3) bond length is 1.28 Å. The C(1)-O(5) bond length is 1.27 Å. In the third C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the fourth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(4), and one O(6) atom. The C(2)-C(4) bond length is 1.49 Å. The C(2)-O(4) bond length is 1.28 Å. The C(2)-O(6) bond length is 1.27 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(4) and one H(5) atom. The C(8)-C(4) bond length is 1.40 Å. The C(8)-H(5) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a distorted single-bond geometry to one C(4), one C(5), and one H(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(5) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 Å. In the seventh C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(8) atom. In the eighth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(6) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.98 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(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the third O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the fourth O site, O(1) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. In the fifth O site, O(2) is bonded in a water-like geometry to one Fe(1) and one H(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(1) atom. Linkers: 24 [O]C(=O)c1cccc(C([O])=O)c1. Metal clusters: 8 O[Fe]123O[C]O[Fe]45(O)(O[C]O1)O[C]O[Fe](O)(O[C]O2)(O[C]O3)(O[C]O4)O5. RCSR code: pcu. The MOF has largest included sphere 5.30 A, density 1.40 g/cm3, surface area 3678.95 m2/g, accessible volume 0.21 cm3/g