Fe3C24N3H9O13 crystallizes in the cubic Ia-3 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(14), one O(17), one O(2), and one O(4) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(1)-O(10) bond length is 1.81 Å. The Fe(1)-O(14) bond length is 2.10 Å. The Fe(1)-O(17) bond length is 1.94 Å. The Fe(1)-O(2) bond length is 2.10 Å. The Fe(1)-O(4) bond length is 2.00 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(12), one O(15), one O(5), and one O(6) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(2)-O(11) bond length is 2.07 Å. The Fe(2)-O(12) bond length is 1.99 Å. The Fe(2)-O(15) bond length is 1.89 Å. The Fe(2)-O(5) bond length is 1.90 Å. The Fe(2)-O(6) bond length is 2.13 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(3), one O(7), and one O(9) atom to form corner-sharing FeO5 square pyramids. The Fe(3)-O(1) bond length is 1.98 Å. The Fe(3)-O(10) bond length is 2.04 Å. The Fe(3)-O(3) bond length is 2.07 Å. The Fe(3)-O(7) bond length is 1.88 Å. The Fe(3)-O(9) bond length is 2.10 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(16), one O(18), and one O(8) atom to form distorted corner-sharing FeO5 square pyramids. The Fe(4)-O(10) bond length is 1.93 Å. The Fe(4)-O(13) bond length is 2.08 Å. The Fe(4)-O(16) bond length is 2.00 Å. The Fe(4)-O(18) bond length is 1.89 Å. The Fe(4)-O(8) bond length is 2.13 Å. There are thirty-two inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal planar geometry to one C(11), one C(22), and one N(4) atom. The C(2)-C(11) bond length is 1.34 Å. The C(2)-C(22) bond length is 1.41 Å. The C(2)-N(4) bond length is 1.47 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(25), one C(26), and one N(1) atom. The C(3)-C(25) bond length is 1.41 Å. The C(3)-C(26) bond length is 1.39 Å. The C(3)-N(1) bond length is 1.45 Å. In the third C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(2), and one O(3) atom. The C(1)-C(16) bond length is 1.53 Å. The C(1)-O(2) bond length is 1.27 Å. The C(1)-O(3) bond length is 1.20 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(31), one O(13), and one O(17) atom. The C(4)-C(31) bond length is 1.47 Å. The C(4)-O(13) bond length is 1.30 Å. The C(4)-O(17) bond length is 1.30 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(20), and one C(7) atom. The C(5)-C(10) bond length is 1.36 Å. The C(5)-C(20) bond length is 1.38 Å. The C(5)-C(7) bond length is 1.52 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(18), one C(19), and one H(2) atom. The C(6)-C(18) bond length is 1.41 Å. The C(6)-C(19) bond length is 1.37 Å. The C(6)-H(2) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(11), and one O(6) atom. The C(7)-O(11) bond length is 1.26 Å. The C(7)-O(6) bond length is 1.23 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(26), one C(30), and one C(9) atom. The C(8)-C(26) bond length is 1.37 Å. The C(8)-C(30) bond length is 1.43 Å. The C(8)-C(9) bond length is 1.48 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(14), and one O(8) atom. The C(9)-O(14) bond length is 1.32 Å. The C(9)-O(8) bond length is 1.16 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(31), one C(5), and one H(12) atom. The C(10)-C(31) bond length is 1.41 Å. The C(10)-H(12) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(16), one C(2), and one H(1) atom. The C(11)-C(16) bond length is 1.40 Å. The C(11)-H(1) bond length is 0.95 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(12), and one O(15) atom. The C(12)-C(14) bond length is 1.43 Å. The C(12)-O(12) bond length is 1.36 Å. The C(12)-O(15) bond length is 1.28 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(17), one C(18), and one H(3) atom. The C(13)-C(17) bond length is 1.45 Å. The C(13)-C(18) bond length is 1.39 Å. The C(13)-H(3) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(12), one C(25), and one C(30) atom. The C(14)-C(25) bond length is 1.36 Å. The C(14)-C(30) bond length is 1.46 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(16), and one O(7) atom. The C(15)-C(32) bond length is 1.48 Å. The C(15)-O(16) bond length is 1.37 Å. The C(15)-O(7) bond length is 1.31 Å. In the sixteenth C site, C(32) is bonded in a trigonal planar geometry to one C(15), one C(22), and one C(24) atom. The C(32)-C(22) bond length is 1.35 Å. The C(32)-C(24) bond length is 1.32 Å. In the seventeenth C site, C(16) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(24) atom. The C(16)-C(24) bond length is 1.42 Å. In the eighteenth C site, C(17) is bonded in a trigonal planar geometry to one C(13), one C(28), and one N(3) atom. The C(17)-C(28) bond length is 1.34 Å. The C(17)-N(3) bond length is 1.43 Å. In the nineteenth C site, C(18) is bonded in a trigonal planar geometry to one C(13), one C(27), and one C(6) atom. The C(18)-C(27) bond length is 1.50 Å. In the twentieth C site, C(19) is bonded in a trigonal planar geometry to one C(23), one C(28), and one C(6) atom. The C(19)-C(23) bond length is 1.49 Å. The C(19)-C(28) bond length is 1.39 Å. In the twenty-first C site, C(20) is bonded in a distorted single-bond geometry to one C(29), one C(5), and one H(5) atom. The C(20)-C(29) bond length is 1.40 Å. The C(20)-H(5) bond length is 0.95 Å. In the twenty-second C site, C(21) is bonded in a distorted single-bond geometry to one C(29), one C(31), and one H(7) atom. The C(21)-C(29) bond length is 1.39 Å. The C(21)-C(31) bond length is 1.43 Å. The C(21)-H(7) bond length is 0.95 Å. In the twenty-third C site, C(22) is bonded in a distorted single-bond geometry to one C(2), one C(32), and one H(9) atom. The C(22)-H(9) bond length is 0.95 Å. In the twenty-fourth C site, C(23) is bonded in a bent 120 degrees geometry to one C(19), one O(1), and one O(18) atom. The C(23)-O(1) bond length is 1.30 Å. The C(23)-O(18) bond length is 1.30 Å. In the twenty-fifth C site, C(24) is bonded in a distorted single-bond geometry to one C(16), one C(32), and one H(11) atom. The C(24)-H(11) bond length is 0.95 Å. In the twenty-sixth C site, C(25) is bonded in a distorted single-bond geometry to one C(14), one C(3), and one H(6) atom. The C(25)-H(6) bond length is 0.95 Å. In the twenty-seventh C site, C(26) is bonded in a distorted single-bond geometry to one C(3), one C(8), and one H(8) atom. The C(26)-H(8) bond length is 0.95 Å. In the twenty-eighth C site, C(27) is bonded in a bent 120 degrees geometry to one C(18), one O(4), and one O(9) atom. The C(27)-O(4) bond length is 1.30 Å. The C(27)-O(9) bond length is 1.18 Å. In the twenty-ninth C site, C(28) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(4) atom. The C(28)-H(4) bond length is 0.95 Å. In the thirtieth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(20), one C(21), and one N(2) atom. The C(29)-N(2) bond length is 1.43 Å. In the thirty-first C site, C(30) is bonded in a distorted single-bond geometry to one C(14), one C(8), and one H(10) atom. The C(30)-H(10) bond length is 0.95 Å. In the thirty-second C site, C(31) is bonded in a trigonal planar geometry to one C(10), one C(21), and one C(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(3) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(29) and one N(3) atom. The N(2)-N(3) bond length is 1.24 Å. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(17) and one N(2) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(2) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(28) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(20) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(25) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(26) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(22) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(30) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. There are eighteen inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Fe(3) and one C(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(27) atom. In the third O site, O(5) is bonded in a trigonal planar geometry to three equivalent Fe(2) atoms. In the fourth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(7) atom. In the fifth O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(3) and one C(15) atom. In the sixth O site, O(8) is bonded in a 2-coordinate geometry to one Fe(4) and one C(9) atom. In the seventh O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one C(23) atom. In the eighth O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one C(27) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(7) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(12) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Fe(4) and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(9) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(2) and one C(12) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(4) and one C(15) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(4) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one C(23) atom. Linkers: 48 [O]C(=O)c1cc([N][N]c2cc(C([O])=O)cc(C([O])=O)c2)cc(C([O])=O)c1. Metal clusters: 32 [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: soc. The MOF has largest included sphere 10.16 A, density 0.89 g/cm3, surface area 3493.28 m2/g, accessible volume 0.78 cm3/g