Fe3H36(C4O)13(C7H6)2 is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four C7H6 clusters and four Fe3H36(C4O)13 clusters. In each C7H6 cluster, there are seven inequivalent C sites. In the first C site, C(30) is bonded in a single-bond geometry to one C(31) and one H(22) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-H(22) bond length is 0.95 Å. In the second C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(6) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-C(6) bond length is 1.50 Å. In the third C site, C(32) is bonded in a distorted single-bond geometry to one C(31) and one H(23) atom. The C(32)-H(23) bond length is 0.95 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one C(31), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(8) bond length is 1.39 Å. In the fifth C site, C(7) is bonded in a trigonal planar geometry to one C(6), one C(8), and one C(9) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-C(9) bond length is 1.55 Å. In the sixth C site, C(8) is bonded in a distorted single-bond geometry to one C(6), one C(7), and one H(7) atom. The C(8)-H(7) bond length is 0.95 Å. In the seventh C site, C(9) is bonded in a trigonal non-coplanar geometry to one C(7), one H(10), one H(8), and one H(9) atom. The C(9)-H(10) bond length is 0.98 Å. The C(9)-H(8) bond length is 0.98 Å. The C(9)-H(9) bond length is 0.98 Å. There are six inequivalent H sites. In the first H site, H(22) is bonded in a single-bond geometry to one C(30) atom. In the second H site, H(23) is bonded in a single-bond geometry to one C(32) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In each Fe3H36(C4O)13 cluster, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(5) atoms to form corner-sharing FeO5 square pyramids. The Fe(1)-O(7) bond length is 1.85 Å. Both Fe(1)-O(1) bond lengths are 2.00 Å. Both Fe(1)-O(5) bond lengths are 2.03 Å. In the second Fe site, Fe(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing FeO5 square pyramids. The Fe(2)-O(7) bond length is 1.98 Å. Both Fe(2)-O(2) bond lengths are 2.14 Å. Both Fe(2)-O(3) bond lengths are 2.14 Å. In the third Fe site, Fe(3) is bonded to one O(7), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing FeO5 square pyramids. The Fe(3)-O(7) bond length is 1.88 Å. Both Fe(3)-O(4) bond lengths are 1.99 Å. Both Fe(3)-O(6) bond lengths are 2.04 Å. There are twenty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(1), and one O(2) atom. The C(1)-C(10) bond length is 1.53 Å. The C(1)-O(1) bond length is 1.24 Å. The C(1)-O(2) bond length is 1.24 Å. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one C(17) and three equivalent H(1,2,3) atoms. The C(2)-C(17) bond length is 1.51 Å. All C(2)-H(1,2,3) bond lengths are 0.98 Å. In the third C site, C(3) is bonded in a trigonal non-coplanar geometry to one C(20); one H(4); and two equivalent H(5,6) atoms. The C(3)-C(20) bond length is 1.53 Å. The C(3)-H(4) bond length is 0.98 Å. Both C(3)-H(5,6) bond lengths are 0.98 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(25), one O(3), and one O(4) atom. The C(4)-C(25) bond length is 1.50 Å. The C(4)-O(3) bond length is 1.27 Å. The C(4)-O(4) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(5), and one O(6) atom. The C(5)-C(28) bond length is 1.51 Å. The C(5)-O(5) bond length is 1.26 Å. The C(5)-O(6) bond length is 1.26 Å. In the sixth C site, C(10) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(15) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-C(15) bond length is 1.39 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(11) atom. The C(11)-H(11) bond length is 0.95 Å. In the eighth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(12) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(12) bond length is 0.95 Å. In the ninth C site, C(15) is bonded in a distorted single-bond geometry to one C(10) and one H(14) atom. The C(15)-H(14) bond length is 0.95 Å. In the tenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(16) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(16) bond length is 1.52 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(13) atom. The C(14)-H(13) bond length is 0.95 Å. In the twelfth C site, C(16) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-C(21) bond length is 1.39 Å. In the thirteenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(2) atom. The C(17)-C(18) bond length is 1.39 Å. In the fourteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(15) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-H(15) bond length is 0.95 Å. In the fifteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(22) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-C(22) bond length is 1.50 Å. In the sixteenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(3) atom. The C(20)-C(21) bond length is 1.39 Å. In the seventeenth C site, C(21) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one H(16) atom. The C(21)-H(16) bond length is 0.95 Å. In the eighteenth C site, C(22) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(27) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-C(27) bond length is 1.39 Å. In the nineteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(22), one C(24), and one H(17) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-H(17) bond length is 0.95 Å. In the twentieth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(23), one C(25), and one H(18) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(18) bond length is 0.95 Å. In the twenty-first C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(4) atom. The C(25)-C(26) bond length is 1.39 Å. In the twenty-second C site, C(28) is bonded in a trigonal planar geometry to one C(29), one C(33), and one C(5) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-C(33) bond length is 1.40 Å. In the twenty-third C site, C(29) is bonded in a distorted single-bond geometry to one C(28) and one H(21) atom. The C(29)-H(21) bond length is 0.95 Å. In the twenty-fourth C site, C(26) is bonded in a distorted single-bond geometry to one C(25) and one H(19) atom. The C(26)-H(19) bond length is 0.95 Å. In the twenty-fifth C site, C(27) is bonded in a single-bond geometry to one C(22) and one H(20) atom. The C(27)-H(20) bond length is 0.95 Å. In the twenty-sixth C site, C(33) is bonded in a distorted single-bond geometry to one C(28) and one H(24) atom. The C(33)-H(24) bond length is 0.95 Å. There are fifteen inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(13) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(17) is bonded in a single-bond geometry to one C(23) atom. In the eleventh H site, H(18) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(19) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth H site, H(20) is bonded in a single-bond geometry to one C(27) atom. In the fourteenth H site, H(21) is bonded in a single-bond geometry to one C(29) atom. In the fifteenth H site, H(24) is bonded in a single-bond geometry to one C(33) atom. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(1) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(5) atom. In the fourth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one C(5) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(4) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one C(4) atom. Linkers: 12 Cc1cc(-c2ccc(C([O])=O)cc2)c(C)cc1-c1ccc(C([O])=O)cc1. Metal clusters: 4 [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 8.87 A, density 0.88 g/cm3, surface area 4796.24 m2/g, accessible volume 0.66 cm3/g