Fe2Cd2C44N4H24O13(CH2)8 crystallizes in the monoclinic C2/c space group. The structure consists of sixty-four 02329_fluka molecules inside a Fe2Cd2C44N4H24O13 framework. In the Fe2Cd2C44N4H24O13 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one O(1), one O(13), and one O(2) atom. The Fe(1)-N(1) bond length is 2.09 Å. The Fe(1)-N(2) bond length is 2.10 Å. The Fe(1)-O(1) bond length is 1.93 Å. The Fe(1)-O(13) bond length is 1.78 Å. The Fe(1)-O(2) bond length is 1.92 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), one O(13), one O(3), and one O(4) atom. The Fe(2)-N(3) bond length is 2.12 Å. The Fe(2)-N(4) bond length is 2.09 Å. The Fe(2)-O(13) bond length is 1.76 Å. The Fe(2)-O(3) bond length is 1.92 Å. The Fe(2)-O(4) bond length is 1.94 Å. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(10), one O(12), one O(5), one O(6), and one O(8) atom to form corner-sharing CdO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 83°. The Cd(1)-O(10) bond length is 2.14 Å. The Cd(1)-O(12) bond length is 2.19 Å. The Cd(1)-O(5) bond length is 2.44 Å. The Cd(1)-O(6) bond length is 2.23 Å. The Cd(1)-O(8) bond length is 2.29 Å. In the second Cd site, Cd(2) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing CdO6 octahedra. Both Cd(2)-O(5) bond lengths are 2.36 Å. Both Cd(2)-O(7) bond lengths are 2.21 Å. Both Cd(2)-O(9) bond lengths are 2.37 Å. In the third Cd site, Cd(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(11) and two equivalent O(9) atoms. Both Cd(3)-O(11) bond lengths are 2.21 Å. Both Cd(3)-O(9) bond lengths are 2.33 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(49) and one N(1) atom. The C(1)-C(49) bond length is 0.82 Å. The C(1)-N(1) bond length is 1.53 Å. In the second C site, C(6) is bonded in a 1-coordinate geometry to one C(50) and one N(2) atom. The C(6)-C(50) bond length is 0.82 Å. The C(6)-N(2) bond length is 1.46 Å. In the third C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(9) atom. The C(7)-C(9) bond length is 1.46 Å. The C(7)-N(1) bond length is 1.28 Å. The C(7)-H(9) bond length is 0.93 Å. In the fourth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(2), and one H(10) atom. The C(8)-C(15) bond length is 1.41 Å. The C(8)-N(2) bond length is 1.30 Å. The C(8)-H(10) bond length is 0.93 Å. In the fifth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(7) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.42 Å. In the sixth C site, C(10) is bonded in a single-bond geometry to one C(11), one C(9), and one H(11) atom. The C(10)-C(11) bond length is 1.42 Å. The C(10)-H(11) bond length is 0.93 Å. In the seventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(23) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-C(23) bond length is 1.44 Å. In the eighth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(12) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-H(12) bond length is 0.93 Å. In the ninth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(21) atom. The C(13)-C(14) bond length is 1.47 Å. The C(13)-C(21) bond length is 1.50 Å. In the tenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one O(1) atom. The C(14)-O(1) bond length is 1.28 Å. In the eleventh C site, C(15) is bonded in a trigonal planar geometry to one C(16), one C(20), and one C(8) atom. The C(15)-C(16) bond length is 1.44 Å. The C(15)-C(20) bond length is 1.40 Å. In the twelfth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one H(13) atom. The C(16)-C(17) bond length is 1.37 Å. The C(16)-H(13) bond length is 0.93 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(24) atom. The C(17)-C(18) bond length is 1.38 Å. The C(17)-C(24) bond length is 1.50 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(14) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-H(14) bond length is 0.93 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 1.49 Å. In the sixteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(15), one C(19), and one O(2) atom. The C(20)-O(2) bond length is 1.32 Å. In the seventeenth C site, C(21) is bonded in a trigonal non-coplanar geometry to one C(13); one H(15); and two equivalent H(16,17) atoms. The C(21)-H(15) bond length is 0.96 Å. Both C(21)-H(16,17) bond lengths are 0.96 Å. In the eighteenth C site, C(22) is bonded in a trigonal non-coplanar geometry to one C(19), one H(18), one H(19), and one H(20) atom. The C(22)-H(18) bond length is 0.96 Å. The C(22)-H(19) bond length is 0.96 Å. The C(22)-H(20) bond length is 0.96 Å. In the nineteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(23)-O(5) bond length is 1.30 Å. The C(23)-O(6) bond length is 1.28 Å. In the twentieth C site, C(24) is bonded in a bent 120 degrees geometry to one C(17), one O(7), and one O(8) atom. The C(24)-O(7) bond length is 1.26 Å. The C(24)-O(8) bond length is 1.22 Å. In the twenty-first C site, C(25) is bonded in a distorted single-bond geometry to one C(51) and one N(3) atom. The C(25)-C(51) bond length is 0.77 Å. The C(25)-N(3) bond length is 1.47 Å. In the twenty-second C site, C(30) is bonded in a 1-coordinate geometry to one C(52) and one N(4) atom. The C(30)-C(52) bond length is 0.82 Å. The C(30)-N(4) bond length is 1.44 Å. In the twenty-third C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(33), one N(3), and one H(29) atom. The C(31)-C(33) bond length is 1.44 Å. The C(31)-N(3) bond length is 1.26 Å. The C(31)-H(29) bond length is 0.93 Å. In the twenty-fourth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(39), one N(4), and one H(30) atom. The C(32)-C(39) bond length is 1.46 Å. The C(32)-N(4) bond length is 1.26 Å. The C(32)-H(30) bond length is 0.93 Å. In the twenty-fifth C site, C(33) is bonded in a trigonal planar geometry to one C(31), one C(34), and one C(38) atom. The C(33)-C(34) bond length is 1.40 Å. The C(33)-C(38) bond length is 1.46 Å. In the twenty-sixth C site, C(34) is bonded in a single-bond geometry to one C(33), one C(35), and one H(31) atom. The C(34)-C(35) bond length is 1.37 Å. The C(34)-H(31) bond length is 0.93 Å. In the twenty-seventh C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(47) atom. The C(35)-C(36) bond length is 1.40 Å. The C(35)-C(47) bond length is 1.44 Å. In the twenty-eighth C site, C(36) is bonded in a distorted single-bond geometry to one C(35), one C(37), and one H(32) atom. The C(36)-C(37) bond length is 1.37 Å. The C(36)-H(32) bond length is 0.93 Å. In the twenty-ninth C site, C(37) is bonded in a trigonal planar geometry to one C(36), one C(38), and one C(45) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-C(45) bond length is 1.51 Å. In the thirtieth C site, C(38) is bonded in a distorted single-bond geometry to one C(33), one C(37), and one O(3) atom. The C(38)-O(3) bond length is 1.31 Å. In the thirty-first C site, C(39) is bonded in a trigonal planar geometry to one C(32), one C(40), and one C(44) atom. The C(39)-C(40) bond length is 1.39 Å. The C(39)-C(44) bond length is 1.39 Å. In the thirty-second C site, C(40) is bonded in a distorted trigonal planar geometry to one C(39), one C(41), and one H(33) atom. The C(40)-C(41) bond length is 1.43 Å. The C(40)-H(33) bond length is 0.93 Å. In the thirty-third C site, C(41) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(48) atom. The C(41)-C(42) bond length is 1.37 Å. The C(41)-C(48) bond length is 1.50 Å. In the thirty-fourth C site, C(42) is bonded in a distorted single-bond geometry to one C(41), one C(43), and one H(34) atom. The C(42)-C(43) bond length is 1.38 Å. The C(42)-H(34) bond length is 0.93 Å. In the thirty-fifth C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(46) atom. The C(43)-C(44) bond length is 1.44 Å. The C(43)-C(46) bond length is 1.42 Å. In the thirty-sixth C site, C(44) is bonded in a distorted single-bond geometry to one C(39), one C(43), and one O(4) atom. The C(44)-O(4) bond length is 1.28 Å. In the thirty-seventh C site, C(45) is bonded in a trigonal non-coplanar geometry to one C(37); one H(37); and two equivalent H(35,36) atoms. The C(45)-H(37) bond length is 0.96 Å. Both C(45)-H(35,36) bond lengths are 0.96 Å. In the thirty-eighth C site, C(46) is bonded in a trigonal non-coplanar geometry to one C(43), one H(38), one H(39), and one H(40) atom. The C(46)-H(38) bond length is 0.96 Å. The C(46)-H(39) bond length is 0.96 Å. The C(46)-H(40) bond length is 0.96 Å. In the thirty-ninth C site, C(47) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(10), and one O(9) atom. The C(47)-O(10) bond length is 1.23 Å. The C(47)-O(9) bond length is 1.30 Å. In the fortieth C site, C(48) is bonded in a distorted bent 120 degrees geometry to one C(41), one O(11), and one O(12) atom. The C(48)-O(11) bond length is 1.30 Å. The C(48)-O(12) bond length is 1.24 Å. In the forty-first C site, C(49) is bonded in a distorted single-bond geometry to one C(1) and one N(1) atom. The C(49)-N(1) bond length is 1.58 Å. In the forty-second C site, C(50) is bonded in a distorted single-bond geometry to one C(6) and one N(2) atom. The C(50)-N(2) bond length is 1.62 Å. In the forty-third C site, C(51) is bonded in a distorted single-bond geometry to one C(25) and one N(3) atom. The C(51)-N(3) bond length is 1.55 Å. In the forty-fourth C site, C(52) is bonded in a distorted single-bond geometry to one C(30) and one N(4) atom. The C(52)-N(4) bond length is 1.60 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one C(1), one C(49), and one C(7) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Fe(1), one C(50), one C(6), and one C(8) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Fe(2), one C(25), one C(31), and one C(51) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Fe(2), one C(30), one C(32), and one C(52) atom. There are twenty-two inequivalent H sites. In the first H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(10) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the sixth H site, H(14) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(16,17) is bonded in a single-bond geometry to one C(21) atom. In the ninth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. In the tenth H site, H(19) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(20) is bonded in a single-bond geometry to one C(22) atom. In the twelfth H site, H(29) is bonded in a single-bond geometry to one C(31) atom. In the thirteenth H site, H(30) is bonded in a single-bond geometry to one C(32) atom. In the fourteenth H site, H(31) is bonded in a single-bond geometry to one C(34) atom. In the fifteenth H site, H(32) is bonded in a single-bond geometry to one C(36) atom. In the sixteenth H site, H(33) is bonded in a single-bond geometry to one C(40) atom. In the seventeenth H site, H(34) is bonded in a single-bond geometry to one C(42) atom. In the eighteenth H site, H(35,36) is bonded in a single-bond geometry to one C(45) atom. In the nineteenth H site, H(37) is bonded in a single-bond geometry to one C(45) atom. In the twentieth H site, H(38) is bonded in a single-bond geometry to one C(46) atom. In the twenty-first H site, H(39) is bonded in a single-bond geometry to one C(46) atom. In the twenty-second H site, H(40) is bonded in a single-bond geometry to one C(46) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(14) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(20) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one C(38) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one C(44) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cd(1), one Cd(2), and one C(23) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Cd(1) and one C(23) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cd(2) and one C(24) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one C(24) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cd(2), one Cd(3), and one C(47) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(47) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cd(3) and one C(48) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(48) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. Linkers: 4 Cc1cc(C([O])=O)cc(/C=N/[C@@]23[C][C][C@]2(/N=C/c2cc(C([O])=O)cc(C)c2[O])CCCC3)c1[O] ,2 CC1=C[C](C([O])=O)C=C(/C=N/[C@@]23[C][C][C@]2(/N=C/c2cc(C([O])=O)cc(C)c2[O])CCCC3)C1=O ,1 Cc1cc(C([O])=O)cc(C=[N])c1[O].[CH2]CCCC1(/N=C/c2cc(C([O])=O)cc(C)c2[O])[C][C][C]1 ,1 CC1=C[C](C([O])=O)C=C(C=[N])C1=O.[C][C][C][C](CCC[CH2])/N=C/c1cc(C([O])=O)cc(C)c1[O] ,3 Cc1cc(C([O])=O)cc([CH][N][C@]23[C][C@](/N=C/c4cc(C([O])=O)cc(C)c4[O])([C]2)CCCC3)c1[O] ,2 [C][C@]1([N]/C=C2/C=C(C([O])=O)C=C(C)C2=O)[C][C](/N=C/c2cc(C([O])=O)cc(C)c2[O])CCCC1 ,2 [C][C@@]1([N]/C=C2/C=C(C([O])=O)C=C(C)C2=O)[C][C](/N=C/c2cc(C([O])=O)cc(C)c2[O])CCCC1 ,1 CC1=C[C](C([O])=O)C=C(/C=N/[C@]23[C][C][C@@]2(/N=C/c2cc(C([O])=O)cc(C)c2[O])CCCC3)C1=O. Metal clusters: 4 [C]1O[Cd]23O[C]O[Cd]4(O1)O[C]O[Cd]1(O[C]O4)O[C]O[Cd](O[C]O2)(O[C]O3)O[C]O1 ,8 [O][Fe]([O])O[Fe]([O])[O]. The MOF has largest included sphere 8.76 A, density 1.20 g/cm3, surface area 3762.97 m2/g, accessible volume 0.48 cm3/g