Fe5C29H9O22(CH3)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight 02329_fluka molecules inside a Fe5C29H9O22 framework. In the Fe5C29H9O22 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(8), and two equivalent O(7) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 65°. The Fe(1)-O(10) bond length is 2.09 Å. The Fe(1)-O(11) bond length is 2.02 Å. The Fe(1)-O(2) bond length is 2.02 Å. The Fe(1)-O(8) bond length is 2.15 Å. There is one shorter (2.27 Å) and one longer (2.38 Å) Fe(1)-O(7) bond length. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Fe(2)-O(3) bond length is 2.05 Å. The Fe(2)-O(4) bond length is 2.08 Å. The Fe(2)-O(5) bond length is 2.08 Å. The Fe(2)-O(6) bond length is 2.10 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 65°. Both Fe(3)-O(1) bond lengths are 2.15 Å. Both Fe(3)-O(8) bond lengths are 2.15 Å. Both Fe(3)-O(9) bond lengths are 2.05 Å. There are sixteen inequivalent C sites. In the first C site, C(15) is bonded in a trigonal planar geometry to one C(17) and two equivalent C(13) atoms. The C(15)-C(17) bond length is 1.49 Å. Both C(15)-C(13) bond lengths are 1.39 Å. In the second C site, C(16) is bonded in a single-bond geometry to two equivalent C(12) and one H(8) atom. Both C(16)-C(12) bond lengths are 1.40 Å. The C(16)-H(8) bond length is 0.93 Å. In the third C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(15) and two equivalent O(11) atoms. Both C(17)-O(11) bond lengths are 1.26 Å. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.39 Å. The C(1)-C(7) bond length is 1.52 Å. In the fifth C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-H(1) bond length is 0.93 Å. In the sixth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(8) bond length is 1.52 Å. In the seventh C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 0.93 Å. In the eighth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(9) bond length is 1.51 Å. In the ninth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the tenth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.24 Å. The C(7)-O(2) bond length is 1.25 Å. In the eleventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.25 Å. The C(8)-O(4) bond length is 1.26 Å. In the twelfth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(6) atom. The C(9)-O(5) bond length is 1.25 Å. The C(9)-O(6) bond length is 1.25 Å. In the thirteenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(10)-O(7) bond length is 1.26 Å. The C(10)-O(8) bond length is 1.26 Å. In the fourteenth C site, C(12) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(16) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(14) bond length is 1.50 Å. In the fifteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(15), and one H(7) atom. The C(13)-H(7) bond length is 0.93 Å. In the sixteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(10), and one O(9) atom. The C(14)-O(10) bond length is 1.26 Å. The C(14)-O(9) bond length is 1.26 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(6) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. There are eleven inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Fe(2) and one C(9) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one C(10) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one C(10) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one C(14) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Fe(3) and one C(7) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(7) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(8) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(2) and one C(8) atom. In the ninth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(9) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(14) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(17) atom. Linkers: 6 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 6 [Fe] ,2 [C]1O[Fe]234O[C]O[Fe]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 6.78 A, density 1.13 g/cm3, surface area 3318.81 m2/g, accessible volume 0.49 cm3/g