Mg3H22(C15O8)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(14), and two equivalent O(9) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. Both Mg(1)-O(1) bond lengths are 2.15 Å. Both Mg(1)-O(14) bond lengths are 2.12 Å. Both Mg(1)-O(9) bond lengths are 2.06 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(15), two equivalent O(2), and two equivalent O(7) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. Both Mg(2)-O(15) bond lengths are 2.12 Å. Both Mg(2)-O(2) bond lengths are 2.15 Å. Both Mg(2)-O(7) bond lengths are 2.06 Å. In the third Mg site, Mg(3) is bonded to two equivalent O(13), two equivalent O(3), and two equivalent O(8) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. Both Mg(3)-O(13) bond lengths are 2.12 Å. Both Mg(3)-O(3) bond lengths are 2.15 Å. Both Mg(3)-O(8) bond lengths are 2.06 Å. In the fourth Mg site, Mg(4) is bonded to one O(1), one O(12), one O(17), one O(19), one O(22), and one O(4) atom to form distorted corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. The Mg(4)-O(1) bond length is 2.10 Å. The Mg(4)-O(12) bond length is 1.99 Å. The Mg(4)-O(17) bond length is 1.98 Å. The Mg(4)-O(19) bond length is 2.21 Å. The Mg(4)-O(22) bond length is 2.19 Å. The Mg(4)-O(4) bond length is 2.07 Å. In the fifth Mg site, Mg(5) is bonded to one O(10), one O(18), one O(2), one O(20), one O(23), and one O(5) atom to form distorted corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. The Mg(5)-O(10) bond length is 1.99 Å. The Mg(5)-O(18) bond length is 1.98 Å. The Mg(5)-O(2) bond length is 2.10 Å. The Mg(5)-O(20) bond length is 2.21 Å. The Mg(5)-O(23) bond length is 2.19 Å. The Mg(5)-O(5) bond length is 2.07 Å. In the sixth Mg site, Mg(6) is bonded to one O(11), one O(16), one O(21), one O(24), one O(3), and one O(6) atom to form distorted corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 69°. The Mg(6)-O(11) bond length is 1.99 Å. The Mg(6)-O(16) bond length is 1.98 Å. The Mg(6)-O(21) bond length is 2.21 Å. The Mg(6)-O(24) bond length is 2.20 Å. The Mg(6)-O(3) bond length is 2.10 Å. The Mg(6)-O(6) bond length is 2.07 Å. There are thirty-six inequivalent C sites. In the first C site, C(1,3) is bonded in a trigonal planar geometry to one C(16,18); one C(19); and one C(4,6) atom. The C(1,3)-C(16,18) bond length is 1.40 Å. The C(1,3)-C(19) bond length is 1.48 Å. The C(1,3)-C(4,6) bond length is 1.39 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(5) atom. The C(2)-C(17) bond length is 1.40 Å. The C(2)-C(20) bond length is 1.48 Å. The C(2)-C(5) bond length is 1.39 Å. In the third C site, C(4,6) is bonded in a distorted single-bond geometry to one C(1,3); one C(7,8); and one H(1,2,3) atom. The C(4,6)-C(7,8) bond length is 1.40 Å. The C(4,6)-H(1,2,3) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(2); one C(7,8); and one H(1,2,3) atom. The C(5)-C(7,8) bond length is 1.40 Å. The C(5)-H(1,2,3) bond length is 1.09 Å. In the fifth C site, C(7,8) is bonded in a trigonal planar geometry to one C(10,12); one C(22); and one C(4,6) atom. The C(7,8)-C(10,12) bond length is 1.40 Å. The C(7,8)-C(22) bond length is 1.50 Å. In the sixth C site, C(9) is bonded in a trigonal planar geometry to one C(10,12); one C(24); and one C(4,6) atom. The C(9)-C(10,12) bond length is 1.40 Å. The C(9)-C(24) bond length is 1.50 Å. The C(9)-C(4,6) bond length is 1.40 Å. In the seventh C site, C(10,12) is bonded in a distorted single-bond geometry to one C(13); one C(7,8); and one H(4,5,6) atom. The C(10,12)-C(13) bond length is 1.41 Å. The C(10,12)-H(4,5,6) bond length is 1.09 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one C(14,15); one C(7,8); and one H(4,5,6) atom. The C(11)-C(14,15) bond length is 1.41 Å. The C(11)-C(7,8) bond length is 1.40 Å. The C(11)-H(4,5,6) bond length is 1.09 Å. In the ninth C site, C(13) is bonded in a trigonal planar geometry to one C(10,12); one C(16,18); and one C(25,27) atom. The C(13)-C(16,18) bond length is 1.40 Å. The C(13)-C(25,27) bond length is 1.48 Å. In the tenth C site, C(14,15) is bonded in a trigonal planar geometry to one C(11), one C(17), and one C(26) atom. The C(14,15)-C(17) bond length is 1.40 Å. The C(14,15)-C(26) bond length is 1.48 Å. In the eleventh C site, C(16,18) is bonded in a distorted single-bond geometry to one C(1,3); one C(13); and one H(7,8,9) atom. The C(16,18)-H(7,8,9) bond length is 1.09 Å. In the twelfth C site, C(17) is bonded in a distorted single-bond geometry to one C(14,15); one C(2); and one H(7,8,9) atom. The C(17)-H(7,8,9) bond length is 1.09 Å. In the thirteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(1,3); one O(1); and one O(4) atom. The C(19)-O(1) bond length is 1.29 Å. The C(19)-O(4) bond length is 1.28 Å. In the fourteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(5) atom. The C(20)-O(2) bond length is 1.29 Å. The C(20)-O(5) bond length is 1.28 Å. In the fifteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(1,3); one O(3); and one O(6) atom. The C(21)-C(1,3) bond length is 1.48 Å. The C(21)-O(3) bond length is 1.29 Å. The C(21)-O(6) bond length is 1.28 Å. In the sixteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(7,8); one O(10); and one O(7) atom. The C(22)-O(10) bond length is 1.28 Å. The C(22)-O(7) bond length is 1.26 Å. In the seventeenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(7,8); one O(11); and one O(8) atom. The C(23)-C(7,8) bond length is 1.50 Å. The C(23)-O(11) bond length is 1.28 Å. The C(23)-O(8) bond length is 1.26 Å. In the eighteenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(12), and one O(9) atom. The C(24)-O(12) bond length is 1.28 Å. The C(24)-O(9) bond length is 1.26 Å. In the nineteenth C site, C(25,27) is bonded in a trigonal planar geometry to one C(13), one C(28), and one C(40) atom. The C(25,27)-C(28) bond length is 1.41 Å. The C(25,27)-C(40) bond length is 1.41 Å. In the twentieth C site, C(26) is bonded in a trigonal planar geometry to one C(14,15); one C(29,30); and one C(41,42) atom. The C(26)-C(29,30) bond length is 1.41 Å. The C(26)-C(41,42) bond length is 1.41 Å. In the twenty-first C site, C(28) is bonded in a distorted single-bond geometry to one C(25,27) and one H(22,23,24,31,33) atom. The C(28)-H(22,23,24,31,33) bond length is 1.09 Å. In the twenty-second C site, C(29,30) is bonded in a distorted single-bond geometry to one C(26) and one H(22,23,24,31,33) atom. The C(29,30)-H(22,23,24,31,33) bond length is 1.09 Å. In the twenty-third C site, C(31) is bonded in a distorted single-bond geometry to one C(34) and one H(25,26,27) atom. The C(31)-C(34) bond length is 1.40 Å. The C(31)-H(25,26,27) bond length is 1.09 Å. In the twenty-fourth C site, C(32) is bonded in a distorted single-bond geometry to one C(35) and one H(25,26,27) atom. The C(32)-C(35) bond length is 1.40 Å. The C(32)-H(25,26,27) bond length is 1.09 Å. In the twenty-fifth C site, C(33) is bonded in a distorted single-bond geometry to one C(36) and one H(25,26,27) atom. The C(33)-C(36) bond length is 1.40 Å. The C(33)-H(25,26,27) bond length is 1.09 Å. In the twenty-sixth C site, C(34) is bonded in a trigonal planar geometry to one C(31), one C(37), and one C(43) atom. The C(34)-C(37) bond length is 1.40 Å. The C(34)-C(43) bond length is 1.50 Å. In the twenty-seventh C site, C(35) is bonded in a trigonal planar geometry to one C(32), one C(38), and one C(44) atom. The C(35)-C(38) bond length is 1.40 Å. The C(35)-C(44) bond length is 1.50 Å. In the twenty-eighth C site, C(36) is bonded in a trigonal planar geometry to one C(33), one C(39), and one C(45) atom. The C(36)-C(39) bond length is 1.40 Å. The C(36)-C(45) bond length is 1.50 Å. In the twenty-ninth C site, C(37) is bonded in a distorted single-bond geometry to one C(34) and one H(28,29,30) atom. The C(37)-H(28,29,30) bond length is 1.09 Å. In the thirtieth C site, C(38) is bonded in a distorted single-bond geometry to one C(35) and one H(28,29,30) atom. The C(38)-H(28,29,30) bond length is 1.09 Å. In the thirty-first C site, C(39) is bonded in a distorted single-bond geometry to one C(36) and one H(28,29,30) atom. The C(39)-H(28,29,30) bond length is 1.09 Å. In the thirty-second C site, C(40) is bonded in a distorted single-bond geometry to one C(25,27) and one H(22,23,24,31,33) atom. The C(40)-H(22,23,24,31,33) bond length is 1.09 Å. In the thirty-third C site, C(41,42) is bonded in a distorted single-bond geometry to one C(26) and one H(32) atom. The C(41,42)-H(32) bond length is 1.09 Å. In the thirty-fourth C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(13), and one O(16) atom. The C(43)-O(13) bond length is 1.26 Å. The C(43)-O(16) bond length is 1.29 Å. In the thirty-fifth C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(14), and one O(17) atom. The C(44)-O(14) bond length is 1.26 Å. The C(44)-O(17) bond length is 1.29 Å. In the thirty-sixth C site, C(45) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(15), and one O(18) atom. The C(45)-O(15) bond length is 1.26 Å. The C(45)-O(18) bond length is 1.29 Å. There are nineteen inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(4,6) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(10,12) atom. In the third H site, H(7,8,9) is bonded in a single-bond geometry to one C(16,18) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one O(19) atom. The H(10)-O(19) bond length is 0.98 Å. In the fifth H site, H(11) is bonded in a single-bond geometry to one O(20) atom. The H(11)-O(20) bond length is 0.98 Å. In the sixth H site, H(12) is bonded in a single-bond geometry to one O(21) atom. The H(12)-O(21) bond length is 0.98 Å. In the seventh H site, H(13) is bonded in a single-bond geometry to one O(19) atom. The H(13)-O(19) bond length is 0.97 Å. In the eighth H site, H(14) is bonded in a single-bond geometry to one O(20) atom. The H(14)-O(20) bond length is 0.97 Å. In the ninth H site, H(15) is bonded in a single-bond geometry to one O(21) atom. The H(15)-O(21) bond length is 0.97 Å. In the tenth H site, H(16) is bonded in a single-bond geometry to one O(22) atom. The H(16)-O(22) bond length is 0.98 Å. In the eleventh H site, H(17) is bonded in a single-bond geometry to one O(23) atom. The H(17)-O(23) bond length is 0.98 Å. In the twelfth H site, H(18) is bonded in a single-bond geometry to one O(24) atom. The H(18)-O(24) bond length is 0.98 Å. In the thirteenth H site, H(19) is bonded in a single-bond geometry to one O(22) atom. The H(19)-O(22) bond length is 0.98 Å. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one O(23) atom. The H(20)-O(23) bond length is 0.98 Å. In the fifteenth H site, H(21) is bonded in a single-bond geometry to one O(24) atom. The H(21)-O(24) bond length is 0.98 Å. In the sixteenth H site, H(22,23,24,31,33) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(25,26,27) is bonded in a single-bond geometry to one C(31) atom. In the eighteenth H site, H(28,29,30) is bonded in a single-bond geometry to one C(37) atom. In the nineteenth H site, H(32) is bonded in a single-bond geometry to one C(41,42) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mg(4), and one C(19) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(2), one Mg(5), and one C(20) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(3), one Mg(6), and one C(21) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mg(4) and one C(19) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mg(5) and one C(20) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mg(6) and one C(21) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one C(22) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mg(3) and one C(23) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one C(24) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mg(5) and one C(22) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mg(6) and one C(23) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mg(4) and one C(24) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mg(3) and one C(43) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mg(1) and one C(44) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mg(2) and one C(45) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mg(6) and one C(43) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mg(4) and one C(44) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mg(5) and one C(45) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Mg(4), one H(10), and one H(13) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Mg(5), one H(11), and one H(14) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Mg(6), one H(12), and one H(15) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Mg(4), one H(16), and one H(19) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Mg(5), one H(17), and one H(20) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Mg(6), one H(18), and one H(21) atom. Linkers: 6 [O]C(=O)c1ccc(-c2cc(C([O])=O)cc(C([O])=O)c2)cc1. Metal clusters: 3 O.O.O.O.O=[C]O[Mg]O[C]O[Mg]O[C]O[Mg]O[C]=O.[O][C]=O.[O][C]=O. The MOF has largest included sphere 7.22 A, density 0.81 g/cm3, surface area 4747.90 m2/g, accessible volume 0.69 cm3/g