MgH11(C5O)3 crystallizes in the trigonal R3 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing MgO5 square pyramids. The Mg(1)-O(3) bond length is 1.95 Å. There is one shorter (1.95 Å) and one longer (2.00 Å) Mg(1)-O(1) bond length. There is one shorter (1.88 Å) and one longer (1.96 Å) Mg(1)-O(2) bond length. In the second Mg site, Mg(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form edge-sharing MgO5 square pyramids. The Mg(2)-O(4) bond length is 1.96 Å. There is one shorter (1.88 Å) and one longer (1.96 Å) Mg(2)-O(5) bond length. There is one shorter (1.95 Å) and one longer (2.00 Å) Mg(2)-O(6) bond length. There are thirty inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(27), and one C(6) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-C(27) bond length is 1.48 Å. The C(1)-C(6) bond length is 1.39 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 1.12 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(24), and one C(4) atom. The C(3)-C(24) bond length is 1.47 Å. The C(3)-C(4) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(28), one C(3), and one C(5) atom. The C(4)-C(28) bond length is 1.48 Å. The C(4)-C(5) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(2) bond length is 1.12 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(18), and one C(5) atom. The C(6)-C(18) bond length is 1.45 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(15), one C(8), and one H(4) atom. The C(7)-C(15) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.38 Å. The C(7)-H(4) bond length is 1.11 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one H(3) atom. The C(8)-C(9) bond length is 1.37 Å. The C(8)-H(3) bond length is 1.12 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(21), and one C(8) atom. The C(9)-C(10) bond length is 1.38 Å. The C(9)-C(21) bond length is 1.47 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(5) atom. The C(10)-H(5) bond length is 1.11 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12), one C(17), and one O(1) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(17) bond length is 1.38 Å. The C(11)-O(1) bond length is 1.38 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(20) atom. The C(12)-C(13) bond length is 1.48 Å. The C(12)-C(20) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12), one O(2), and one O(3) atom. The C(13)-O(2) bond length is 1.26 Å. The C(13)-O(3) bond length is 1.25 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(15), one O(4), and one O(5) atom. The C(14)-C(15) bond length is 1.48 Å. The C(14)-O(4) bond length is 1.26 Å. The C(14)-O(5) bond length is 1.26 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(7) atom. The C(15)-C(16) bond length is 1.40 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one O(6) atom. The C(16)-O(6) bond length is 1.38 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(11), one C(18), and one H(6) atom. The C(17)-C(18) bond length is 1.38 Å. The C(17)-H(6) bond length is 1.11 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(6) atom. The C(18)-C(19) bond length is 1.37 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one H(8) atom. The C(19)-H(8) bond length is 1.12 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(12) and one H(7) atom. The C(20)-H(7) bond length is 1.11 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(9) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(26) bond length is 1.40 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(9) atom. The C(22)-C(23) bond length is 1.38 Å. The C(22)-H(9) bond length is 1.12 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(29) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-C(29) bond length is 1.47 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(3) atom. The C(24)-C(25) bond length is 1.39 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(26), and one H(10) atom. The C(25)-C(26) bond length is 1.38 Å. The C(25)-H(10) bond length is 1.12 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(30) atom. The C(26)-C(30) bond length is 1.48 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(11), one H(12), and one H(13) atom. The C(27)-H(11) bond length is 1.12 Å. The C(27)-H(12) bond length is 1.11 Å. The C(27)-H(13) bond length is 1.12 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one H(14), one H(15), and one H(16) atom. The C(28)-H(14) bond length is 1.12 Å. The C(28)-H(15) bond length is 1.11 Å. The C(28)-H(16) bond length is 1.12 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal non-coplanar geometry to one C(23), one H(17), one H(18), and one H(19) atom. The C(29)-H(17) bond length is 1.12 Å. The C(29)-H(18) bond length is 1.12 Å. The C(29)-H(19) bond length is 1.12 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal non-coplanar geometry to one C(26), one H(20), one H(21), and one H(22) atom. The C(30)-H(20) bond length is 1.12 Å. The C(30)-H(21) bond length is 1.11 Å. The C(30)-H(22) bond length is 1.12 Å. There are twenty-two 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(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(7) is bonded in a bent 120 degrees geometry to one C(20) and one H(12) atom. The H(7)-H(12) bond length is 1.11 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(19) 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(25) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(27) atom. In the twelfth H site, H(12) is bonded in a distorted single-bond geometry to one C(27) and one H(7) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(27) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(29) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(30) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(30) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one C(11) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one C(14) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one C(16) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one C(14) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(13) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one C(13) atom. Linkers: 2 Cc1cc(-c2cc(C)c(-c3ccc(C([O])=O)c([O])c3)cc2C)c(C)cc1-c1ccc(C([O])=O)c([O])c1 ,2 Cc1cc(-c2cc(C)c(-c3ccc(C([O])=O)c([O])c3)cc2C)c(C)cc1-c1c[c]c([C]=O)c([O])c1 ,1 [CH]=[C]c1[c]c(C)c(-c2cc(C)c(-c3ccc(C([O])=O)c([O])c3)cc2C)cc1C ,1 Cc1c[c][c]cc1-c1ccc(C([O])=O)c([O])c1 ,1 [CH]=[C]c1cc(C)c(-c2cc(C)c(-c3ccc(C([O])=O)c([O])c3)cc2C)cc1[CH2] ,1 Cc1[c][c]c(C)c(-c2ccc(C([O])=O)c([O])c2)c1. Metal clusters: 6 [Mg]. The MOF has largest included sphere 24.44 A, density 0.44 g/cm3, surface area 4281.02 m2/g, accessible volume 1.78 cm3/g