Fe3C24O13Cl12 crystallizes in the trigonal P-3 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(14), one O(2), and one O(6) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(1)-O(1) bond length is 1.77 Å. The Fe(1)-O(10) bond length is 2.01 Å. The Fe(1)-O(14) bond length is 2.00 Å. The Fe(1)-O(2) bond length is 1.97 Å. The Fe(1)-O(6) bond length is 2.02 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(13), one O(15), one O(3), and one O(8) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(2)-O(1) bond length is 2.04 Å. The Fe(2)-O(13) bond length is 2.16 Å. The Fe(2)-O(15) bond length is 2.10 Å. The Fe(2)-O(3) bond length is 2.16 Å. The Fe(2)-O(8) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(7), and one O(9) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(3)-O(1) bond length is 1.92 Å. The Fe(3)-O(11) bond length is 2.07 Å. The Fe(3)-O(12) bond length is 2.07 Å. The Fe(3)-O(7) bond length is 2.06 Å. The Fe(3)-O(9) bond length is 2.02 Å. In the fourth Fe site, Fe(4) is bonded to one O(16), one O(17), one O(18), one O(4), and one O(5) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(4)-O(16) bond length is 2.09 Å. The Fe(4)-O(17) bond length is 2.14 Å. The Fe(4)-O(18) bond length is 1.92 Å. The Fe(4)-O(4) bond length is 2.04 Å. The Fe(4)-O(5) bond length is 2.06 Å. There are thirty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(16), and one O(17) atom. The C(1)-C(30) bond length is 1.49 Å. The C(1)-O(16) bond length is 1.20 Å. The C(1)-O(17) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(2), and one O(3) atom. The C(2)-C(3) bond length is 1.51 Å. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(3) bond length is 1.21 Å. In the third 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 1.39 Å. The C(3)-C(8) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one Cl(1) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-Cl(1) bond length is 1.72 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one Cl(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-Cl(2) bond length is 1.72 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(9) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(9) bond length is 1.55 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one Cl(3) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-Cl(3) bond length is 1.71 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one Cl(4) atom. The C(8)-Cl(4) bond length is 1.72 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(4), and one O(5) atom. The C(9)-O(4) bond length is 1.22 Å. The C(9)-O(5) bond length is 1.29 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(6), and one O(7) atom. The C(10)-C(11) bond length is 1.54 Å. The C(10)-O(6) bond length is 1.29 Å. The C(10)-O(7) bond length is 1.19 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(16) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-C(16) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one Cl(5) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-Cl(5) bond length is 1.71 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one Cl(6) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-Cl(6) bond length is 1.72 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(17) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-C(17) bond length is 1.51 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one Cl(7) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-Cl(7) bond length is 1.69 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one Cl(8) atom. The C(16)-Cl(8) bond length is 1.73 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(8), and one O(9) atom. The C(17)-O(8) bond length is 1.27 Å. The C(17)-O(9) bond length is 1.24 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(10), and one O(11) atom. The C(18)-C(19) bond length is 1.53 Å. The C(18)-O(10) bond length is 1.24 Å. The C(18)-O(11) bond length is 1.28 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(24) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-C(24) bond length is 1.38 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one Cl(9) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-Cl(9) bond length is 1.71 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one Cl(10) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-Cl(10) bond length is 1.72 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(25) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-C(25) bond length is 1.49 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one Cl(11) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-Cl(11) bond length is 1.73 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(19), one C(23), and one Cl(12) atom. The C(24)-Cl(12) bond length is 1.73 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(12), and one O(13) atom. The C(25)-O(12) bond length is 1.27 Å. The C(25)-O(13) bond length is 1.18 Å. In the twenty-sixth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(27), one O(14), and one O(15) atom. The C(26)-C(27) bond length is 1.54 Å. The C(26)-O(14) bond length is 1.27 Å. The C(26)-O(15) bond length is 1.25 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(26), one C(28), and one C(32) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-C(32) bond length is 1.39 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one Cl(13) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-Cl(13) bond length is 1.71 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(28), one C(30), and one Cl(14) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-Cl(14) bond length is 1.71 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(1), one C(29), and one C(31) atom. The C(30)-C(31) bond length is 1.39 Å. In the thirty-first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(30), one C(32), and one Cl(15) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-Cl(15) bond length is 1.72 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(27), one C(31), and one Cl(16) atom. The C(32)-Cl(16) bond length is 1.72 Å. There are eighteen inequivalent O sites. In the first O site, O(1) 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(1) and one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Fe(2) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(4) and one C(9) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(4) and one C(9) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(1) and one C(10) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Fe(3) and one C(10) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Fe(2) and one C(17) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Fe(3) and one C(17) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(18) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Fe(3) and one C(18) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one C(25) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Fe(2) and one C(25) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Fe(1) and one C(26) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Fe(2) and one C(26) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Fe(4) and one C(1) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Fe(4) and one C(1) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to three equivalent Fe(4) atoms. There are sixteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(4) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(5) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one C(12) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth Cl site, Cl(9) is bonded in a single-bond geometry to one C(20) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one C(21) atom. In the eleventh Cl site, Cl(11) is bonded in a single-bond geometry to one C(23) atom. In the twelfth Cl site, Cl(12) is bonded in a single-bond geometry to one C(24) atom. In the thirteenth Cl site, Cl(13) is bonded in a single-bond geometry to one C(28) atom. In the fourteenth Cl site, Cl(14) is bonded in a single-bond geometry to one C(29) atom. In the fifteenth Cl site, Cl(15) is bonded in a single-bond geometry to one C(31) atom. In the sixteenth Cl site, Cl(16) is bonded in a single-bond geometry to one C(32) atom. Linkers: 24 [O]C(=O)c1c(Cl)c(Cl)c(C([O])=O)c(Cl)c1Cl. Metal clusters: 8 [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 10.82 A, density 1.07 g/cm3, surface area 3331.11 m2/g, accessible volume 0.55 cm3/g