Mn2Fe3C96H48(NO2)8 crystallizes in the monoclinic P2/c space group. Mn(1) is bonded in a square co-planar geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Mn(1)-N(1) bond length is 2.02 Å. The Mn(1)-N(2) bond length is 2.00 Å. The Mn(1)-N(3) bond length is 1.99 Å. The Mn(1)-N(4) bond length is 1.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 73°. The Fe(1)-O(2) bond length is 2.07 Å. The Fe(1)-O(3) bond length is 2.26 Å. The Fe(1)-O(4) bond length is 2.20 Å. The Fe(1)-O(6) bond length is 2.02 Å. The Fe(1)-O(7) bond length is 2.14 Å. The Fe(1)-O(8) bond length is 2.30 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 73°. Both Fe(2)-O(1) bond lengths are 2.13 Å. Both Fe(2)-O(3) bond lengths are 2.21 Å. Both Fe(2)-O(5) bond lengths are 2.17 Å. There are forty-eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(20), and one N(1) atom. The C(1)-C(2) bond length is 1.43 Å. The C(1)-C(20) bond length is 1.37 Å. The C(1)-N(1) bond length is 1.38 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.42 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(1) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-N(1) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(24), one C(4), and one C(6) atom. The C(5)-C(24) bond length is 1.52 Å. The C(5)-C(6) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.43 Å. The C(6)-N(2) bond length is 1.40 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(7)-H(3) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(4) atom. The C(8)-C(9) bond length is 1.42 Å. The C(8)-H(4) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(2) atom. The C(9)-C(10) bond length is 1.33 Å. The C(9)-N(2) bond length is 1.38 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(31), and one C(9) atom. The C(10)-C(11) bond length is 1.44 Å. The C(10)-C(31) bond length is 1.49 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one N(3) atom. The C(11)-C(12) bond length is 1.42 Å. The C(11)-N(3) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(5) atom. The C(12)-H(5) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(6) atom. The C(13)-C(14) bond length is 1.46 Å. The C(13)-H(6) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one N(3) atom. The C(14)-C(15) bond length is 1.36 Å. The C(14)-N(3) bond length is 1.37 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(38) atom. The C(15)-C(16) bond length is 1.38 Å. The C(15)-C(38) bond length is 1.51 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one N(4) atom. The C(16)-C(17) bond length is 1.43 Å. The C(16)-N(4) bond length is 1.39 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(7) atom. The C(17)-H(7) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(19) and one H(8) atom. The C(18)-C(19) bond length is 1.44 Å. The C(18)-H(8) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one N(4) atom. The C(19)-C(20) bond length is 1.37 Å. The C(19)-N(4) bond length is 1.40 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(1), one C(19), and one C(45) atom. The C(20)-C(45) bond length is 1.48 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(26), and one C(27) atom. The C(21)-C(22) bond length is 1.38 Å. The C(21)-C(26) bond length is 1.37 Å. The C(21)-C(27) bond length is 1.51 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(9) atom. The C(22)-C(23) bond length is 1.37 Å. The C(22)-H(9) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one C(22), one C(24), and one H(10) atom. The C(23)-C(24) bond length is 1.36 Å. The C(23)-H(10) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(5) atom. The C(24)-C(25) bond length is 1.35 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(24) and one H(11) atom. The C(25)-H(11) bond length is 0.95 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(21) and one H(12) atom. The C(26)-H(12) bond length is 0.95 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(1), and one O(2) atom. The C(27)-O(1) bond length is 1.26 Å. The C(27)-O(2) bond length is 1.28 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(29), one C(33), and one C(34) atom. The C(28)-C(29) bond length is 1.37 Å. The C(28)-C(33) bond length is 1.37 Å. The C(28)-C(34) bond length is 1.50 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(28) and one H(13) atom. The C(29)-H(13) bond length is 0.95 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(31) and one H(14) atom. The C(30)-C(31) bond length is 1.37 Å. The C(30)-H(14) bond length is 0.95 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(10), one C(30), and one C(32) atom. The C(31)-C(32) bond length is 1.39 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(31), one C(33), and one H(15) atom. The C(32)-C(33) bond length is 1.37 Å. The C(32)-H(15) bond length is 0.95 Å. In the thirty-third C site, C(33) is bonded in a distorted trigonal planar geometry to one C(28), one C(32), and one H(16) atom. The C(33)-H(16) bond length is 0.95 Å. In the thirty-fourth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(3), and one O(4) atom. The C(34)-O(3) bond length is 1.28 Å. The C(34)-O(4) bond length is 1.25 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(36), one C(40), and one C(41) atom. The C(35)-C(36) bond length is 1.37 Å. The C(35)-C(40) bond length is 1.36 Å. The C(35)-C(41) bond length is 1.48 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(35) and one H(17) atom. The C(36)-H(17) bond length is 0.95 Å. In the thirty-seventh C site, C(37) is bonded in a distorted single-bond geometry to one C(38) and one H(18) atom. The C(37)-C(38) bond length is 1.35 Å. The C(37)-H(18) bond length is 0.95 Å. In the thirty-eighth C site, C(38) is bonded in a trigonal planar geometry to one C(15), one C(37), and one C(39) atom. The C(38)-C(39) bond length is 1.39 Å. In the thirty-ninth C site, C(39) is bonded in a distorted single-bond geometry to one C(38), one C(40), and one H(19) atom. The C(39)-C(40) bond length is 1.38 Å. The C(39)-H(19) bond length is 0.95 Å. In the fortieth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(35), one C(39), and one H(20) atom. The C(40)-H(20) bond length is 0.95 Å. In the forty-first C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(5), and one O(6) atom. The C(41)-O(5) bond length is 1.25 Å. The C(41)-O(6) bond length is 1.26 Å. In the forty-second C site, C(42) is bonded in a trigonal planar geometry to one C(43), one C(47), and one C(48) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-C(47) bond length is 1.39 Å. The C(42)-C(48) bond length is 1.48 Å. In the forty-third C site, C(43) is bonded in a distorted single-bond geometry to one C(42) and one H(21) atom. The C(43)-H(21) bond length is 0.95 Å. In the forty-fourth C site, C(44) is bonded in a distorted single-bond geometry to one C(45) and one H(22) atom. The C(44)-C(45) bond length is 1.37 Å. The C(44)-H(22) bond length is 0.95 Å. In the forty-fifth C site, C(45) is bonded in a trigonal planar geometry to one C(20), one C(44), and one C(46) atom. The C(45)-C(46) bond length is 1.38 Å. In the forty-sixth C site, C(46) is bonded in a distorted single-bond geometry to one C(45), one C(47), and one H(23) atom. The C(46)-C(47) bond length is 1.40 Å. The C(46)-H(23) bond length is 0.95 Å. In the forty-seventh C site, C(47) is bonded in a distorted trigonal planar geometry to one C(42), one C(46), and one H(24) atom. The C(47)-H(24) bond length is 0.95 Å. In the forty-eighth C site, C(48) is bonded in a bent 120 degrees geometry to one C(42), one O(7), and one O(8) atom. The C(48)-O(7) bond length is 1.30 Å. The C(48)-O(8) bond length is 1.24 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Mn(1), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Mn(1), one C(6), and one C(9) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Mn(1), one C(11), and one C(14) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Mn(1), one C(16), and one C(19) atom. There are twenty-four 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(18) 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(23) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(25) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(29) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(30) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(32) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(33) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(36) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(37) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(39) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(40) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(43) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(44) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(46) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(47) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one C(27) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(27) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one C(34) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Fe(1) and one C(34) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(41) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(41) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Fe(1) and one C(48) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Fe(1) and one C(48) atom. Linkers: 4 [O]C(=O)c1ccc(cc1)C1=C2C=CC3=[N]2[Mn@@]24n5c1ccc5C(=C1[N]2=C(C=C1)C(=c1n4c(=C3c2ccc(cc2)C(=O)[O])cc1)c1ccc(cc1)C(=O)[O])c1ccc(cc1)C(=O)[O]. Metal clusters: 2 [C]1O[Fe]23(O1)O[C]O[Fe]14(O[C]O2)(O[C]O3)O[C]O[Fe]2(O[C]O2)(O[C]O1)O[C]O4. The MOF has largest included sphere 6.13 A, density 0.97 g/cm3, surface area 4135.14 m2/g, accessible volume 0.52 cm3/g