Mg5H24(C8O3)6 crystallizes in the monoclinic C2/c space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MgO5 square pyramids that share  a cornercorner with one Mg(2)O4 trigonal pyramid and  an edgeedge with one Mg(5)O6 octahedra. The Mg(1)-O(2) bond length is 2.08 Å. The Mg(1)-O(4) bond length is 2.02 Å. The Mg(1)-O(7) bond length is 2.29 Å. The Mg(1)-O(8) bond length is 2.03 Å. The Mg(1)-O(9) bond length is 1.94 Å. In the second Mg site, Mg(2) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mg(5)O6 octahedra and  a cornercorner with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 61°. The Mg(2)-O(3) bond length is 1.99 Å. The Mg(2)-O(5) bond length is 1.94 Å. The Mg(2)-O(6) bond length is 1.95 Å. The Mg(2)-O(9) bond length is 1.96 Å. In the third Mg site, Mg(3) is bonded to one O(11), one O(13), one O(14), and one O(15) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mg(6)O6 octahedra and  a cornercorner with one Mg(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 54°. The Mg(3)-O(11) bond length is 1.98 Å. The Mg(3)-O(13) bond length is 1.99 Å. The Mg(3)-O(14) bond length is 1.93 Å. The Mg(3)-O(15) bond length is 2.06 Å. In the fourth Mg site, Mg(4) is bonded to one O(10), one O(12), one O(14), one O(17), and one O(18) atom to form distorted MgO5 square pyramids that share  a cornercorner with one Mg(3)O4 trigonal pyramid and  an edgeedge with one Mg(6)O6 octahedra. The Mg(4)-O(10) bond length is 2.04 Å. The Mg(4)-O(12) bond length is 2.04 Å. The Mg(4)-O(14) bond length is 1.99 Å. The Mg(4)-O(17) bond length is 2.04 Å. The Mg(4)-O(18) bond length is 2.24 Å. In the fifth Mg site, Mg(5) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O4 trigonal pyramids and edges with two equivalent Mg(1)O5 square pyramids. Both Mg(5)-O(1) bond lengths are 2.01 Å. Both Mg(5)-O(7) bond lengths are 2.11 Å. Both Mg(5)-O(9) bond lengths are 1.92 Å. In the sixth Mg site, Mg(6) is bonded to two equivalent O(14), two equivalent O(16), and two equivalent O(18) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O4 trigonal pyramids and edges with two equivalent Mg(4)O5 square pyramids. Both Mg(6)-O(14) bond lengths are 1.92 Å. Both Mg(6)-O(16) bond lengths are 2.08 Å. Both Mg(6)-O(18) bond lengths are 2.11 Å. There are forty-eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(13), one C(28), and one C(3) atom. The C(1)-C(13) bond length is 1.39 Å. The C(1)-C(28) bond length is 1.37 Å. The C(1)-C(3) bond length is 1.54 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(4), one O(7), and one O(8) atom. The C(2)-C(4) bond length is 1.52 Å. The C(2)-O(7) bond length is 1.31 Å. The C(2)-O(8) bond length is 1.21 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(1), one O(2), and one O(5) atom. The C(3)-O(2) bond length is 1.33 Å. The C(3)-O(5) bond length is 1.24 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(22), and one C(24) atom. The C(4)-C(22) bond length is 1.33 Å. The C(4)-C(24) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(10), and one O(11) atom. The C(5)-C(12) bond length is 1.56 Å. The C(5)-O(10) bond length is 1.24 Å. The C(5)-O(11) bond length is 1.28 Å. In the sixth C site, C(6) is bonded in a single-bond geometry to one C(10) and one H(1) atom. The C(6)-C(10) bond length is 1.42 Å. The C(6)-H(1) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(26) atom. The C(7)-C(11) bond length is 1.45 Å. The C(7)-C(13) bond length is 1.34 Å. The C(7)-C(26) bond length is 1.32 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(12), and one O(13) atom. The C(8)-C(10) bond length is 1.53 Å. The C(8)-O(12) bond length is 1.28 Å. The C(8)-O(13) bond length is 1.24 Å. In the ninth C site, C(9) is bonded in a single-bond geometry to one C(10), one C(11), and one H(2) atom. The C(9)-C(10) bond length is 1.37 Å. The C(9)-C(11) bond length is 1.47 Å. The C(9)-H(2) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(6), one C(8), and one C(9) atom. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(27), one C(7), and one C(9) atom. The C(11)-C(27) bond length is 1.38 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(14), one C(29), and one C(5) atom. The C(12)-C(14) bond length is 1.37 Å. The C(12)-C(29) bond length is 1.34 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(1), one C(7), and one H(3) atom. The C(13)-H(3) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12), one C(15), and one H(4) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-H(4) bond length is 0.93 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(30) atom. The C(15)-C(16) bond length is 1.43 Å. The C(15)-C(30) bond length is 1.37 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(20) atom. The C(16)-C(17) bond length is 1.41 Å. The C(16)-C(20) bond length is 1.44 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(5) atom. The C(17)-H(5) bond length is 0.93 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(4), and one O(6) atom. The C(18)-C(19) bond length is 1.51 Å. The C(18)-O(4) bond length is 1.26 Å. The C(18)-O(6) bond length is 1.27 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(21) atom. The C(19)-C(20) bond length is 1.35 Å. The C(19)-C(21) bond length is 1.37 Å. In the twentieth C site, C(20) is bonded in a single-bond geometry to one C(16), one C(19), and one H(6) atom. The C(20)-H(6) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a single-bond geometry to one C(19) and one H(7) atom. The C(21)-H(7) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(23), one C(4), and one H(8) atom. The C(22)-C(23) bond length is 1.45 Å. The C(22)-H(8) bond length is 0.93 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(23), and one C(25) atom. The C(23)-C(23) bond length is 1.37 Å. The C(23)-C(25) bond length is 1.40 Å. In the twenty-fourth C site, C(24) is bonded in a single-bond geometry to one C(4) and one H(9) atom. The C(24)-H(9) bond length is 0.93 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(23) and one H(10) atom. The C(25)-H(10) bond length is 0.93 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(7) and one H(11) atom. The C(26)-H(11) bond length is 0.93 Å. In the twenty-seventh C site, C(27) is bonded in a single-bond geometry to one C(11) and one H(12) atom. The C(27)-H(12) bond length is 0.93 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(1) and one H(13) atom. The C(28)-H(13) bond length is 0.93 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(12) and one H(14) atom. The C(29)-H(14) bond length is 0.93 Å. In the thirtieth C site, C(30) is bonded in a single-bond geometry to one C(15) and one H(15) atom. The C(30)-H(15) bond length is 0.93 Å. In the thirty-first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(1), and one O(3) atom. The C(31)-C(32) bond length is 1.57 Å. The C(31)-O(1) bond length is 1.19 Å. The C(31)-O(3) bond length is 1.31 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(35) atom. The C(32)-C(33) bond length is 1.36 Å. The C(32)-C(35) bond length is 1.38 Å. In the thirty-third C site, C(33) is bonded in a distorted trigonal planar geometry to one C(32), one C(34), and one H(16) atom. The C(33)-C(34) bond length is 1.44 Å. The C(33)-H(16) bond length is 0.93 Å. In the thirty-fourth C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(34), and one C(36) atom. The C(34)-C(34) bond length is 1.35 Å. The C(34)-C(36) bond length is 1.52 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(32) and one H(17) atom. The C(35)-H(17) bond length is 0.93 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(34) and one H(18) atom. The C(36)-H(18) bond length is 0.93 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(46), one O(16), and one O(17) atom. The C(37)-C(46) bond length is 1.50 Å. The C(37)-O(16) bond length is 1.24 Å. The C(37)-O(17) bond length is 1.27 Å. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(44) and one H(19) atom. The C(38)-C(44) bond length is 1.42 Å. The C(38)-H(19) bond length is 0.93 Å. In the thirty-ninth C site, C(39) is bonded in a distorted single-bond geometry to one C(44), one C(46), and one H(20) atom. The C(39)-C(44) bond length is 1.44 Å. The C(39)-C(46) bond length is 1.39 Å. The C(39)-H(20) bond length is 0.93 Å. In the fortieth C site, C(40) is bonded in a distorted single-bond geometry to one C(47) and one H(21) atom. The C(40)-C(47) bond length is 1.39 Å. The C(40)-H(21) bond length is 0.93 Å. In the forty-first C site, C(41) is bonded in a single-bond geometry to one C(46) and one H(22) atom. The C(41)-C(46) bond length is 1.39 Å. The C(41)-H(22) bond length is 0.93 Å. In the forty-second C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(47), one O(15), and one O(18) atom. The C(42)-C(47) bond length is 1.47 Å. The C(42)-O(15) bond length is 1.25 Å. The C(42)-O(18) bond length is 1.29 Å. In the forty-third C site, C(43) is bonded in a distorted single-bond geometry to one C(45), one C(47), and one H(23) atom. The C(43)-C(45) bond length is 1.44 Å. The C(43)-C(47) bond length is 1.39 Å. The C(43)-H(23) bond length is 0.93 Å. In the forty-fourth C site, C(44) is bonded in a trigonal planar geometry to one C(38), one C(39), and one C(45) atom. The C(44)-C(45) bond length is 1.39 Å. In the forty-fifth C site, C(45) is bonded in a trigonal planar geometry to one C(43), one C(44), and one C(48) atom. The C(45)-C(48) bond length is 1.39 Å. In the forty-sixth C site, C(46) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(41) atom. In the forty-seventh C site, C(47) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(43) atom. In the forty-eighth C site, C(48) is bonded in a distorted single-bond geometry to one C(45) and one H(24) atom. The C(48)-H(24) bond length is 0.93 Å. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(9) 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(14) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(20) 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(22) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(24) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(25) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(26) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(27) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(28) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(29) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(30) 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(35) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(36) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(38) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(39) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(40) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(41) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(43) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(48) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(5) and one C(31) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one C(31) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one C(18) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one C(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one C(18) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(5), and one C(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mg(1) and one C(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one Mg(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mg(4) and one C(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mg(3) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mg(4) and one C(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mg(3) and one C(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mg(3), one Mg(4), and one Mg(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Mg(3) and one C(42) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mg(6) and one C(37) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Mg(4) and one C(37) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mg(4), one Mg(6), and one C(42) atom. Linkers: 32 [O]C(=O)c1ccc2cc(C([O])=O)ccc2c1. Metal clusters: 4 [O][C]=O.[O][C]=O.[O][C]=O.[O][C]=O.[O][C]O[Mg]O[C]O[Mg]O[Mg]O[Mg]O[C]O[Mg]O[C][O] ,2 O=[C]O[Mg].O=[C]O[Mg]O[C]=O.O=[C]O[Mg]O[Mg]O[Mg]O[C]=O.[O][C]=O.[O][C]=O.[O][C]=O ,2 O=[C]O[Mg].O=[C]O[Mg].O=[C]O[Mg]O[Mg]O[Mg]O[C]=O.[O][C]=O.[O][C]=O.[O][C]=O.[O][C]=O. RCSR code: bcu. The MOF has largest included sphere 9.02 A, density 0.77 g/cm3, surface area 4467.22 m2/g, accessible volume 0.84 cm3/g