BaH12(C13O4)2(CH3CO)4 crystallizes in the triclinic P-1 space group. The structure consists of sixteen dimethyl ether molecules inside a BaH12(C13O4)2 framework. In the BaH12(C13O4)2 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(11), one O(19), one O(2), one O(20), one O(22), one O(4), and one O(7) atom to form edge-sharing BaO8 hexagonal bipyramids. The Ba(1)-O(1) bond length is 2.87 Å. The Ba(1)-O(11) bond length is 2.77 Å. The Ba(1)-O(19) bond length is 2.98 Å. The Ba(1)-O(2) bond length is 2.82 Å. The Ba(1)-O(20) bond length is 2.86 Å. The Ba(1)-O(22) bond length is 2.76 Å. The Ba(1)-O(4) bond length is 2.99 Å. The Ba(1)-O(7) bond length is 2.81 Å. In the second Ba site, Ba(2) is bonded to one O(1), one O(19), one O(20), one O(23), one O(24), one O(3), one O(4), and one O(9) atom to form distorted edge-sharing BaO8 hexagonal bipyramids. The Ba(2)-O(1) bond length is 3.01 Å. The Ba(2)-O(19) bond length is 2.84 Å. The Ba(2)-O(20) bond length is 3.01 Å. The Ba(2)-O(23) bond length is 2.87 Å. The Ba(2)-O(24) bond length is 2.72 Å. The Ba(2)-O(3) bond length is 2.86 Å. The Ba(2)-O(4) bond length is 2.82 Å. The Ba(2)-O(9) bond length is 2.71 Å. There are fifty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(2), and one O(4) atom. The C(1)-C(5) bond length is 1.51 Å. The C(1)-O(2) bond length is 1.26 Å. The C(1)-O(4) bond length is 1.24 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(2)-C(11) bond length is 1.38 Å. The C(2)-C(15) bond length is 1.49 Å. The C(2)-C(9) bond length is 1.41 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(15), one C(21), and one C(37) atom. The C(3)-C(15) bond length is 1.42 Å. The C(3)-C(21) bond length is 1.42 Å. The C(3)-C(37) bond length is 1.44 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(7) atom. The C(4)-C(19) bond length is 1.40 Å. The C(4)-C(23) bond length is 1.52 Å. The C(4)-C(7) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(16), and one C(9) atom. The C(5)-C(16) bond length is 1.39 Å. The C(5)-C(9) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(1), and one O(3) atom. The C(6)-C(12) bond length is 1.52 Å. The C(6)-O(1) bond length is 1.25 Å. The C(6)-O(3) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(4), one C(57), and one H(4) atom. The C(7)-C(57) bond length is 1.41 Å. The C(7)-H(4) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(18), one C(50), and one H(5) atom. The C(8)-C(18) bond length is 1.40 Å. The C(8)-C(50) bond length is 1.40 Å. The C(8)-H(5) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(6) atom. The C(9)-H(6) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(17), one C(24), and one C(41) atom. The C(10)-C(17) bond length is 1.42 Å. The C(10)-C(24) bond length is 1.43 Å. The C(10)-C(41) bond length is 1.42 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(2), one C(35), and one H(7) atom. The C(11)-C(35) bond length is 1.41 Å. The C(11)-H(7) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(19), one C(27), and one C(6) atom. The C(12)-C(19) bond length is 1.38 Å. The C(12)-C(27) bond length is 1.38 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(24), one C(28), and one C(30) atom. The C(13)-C(24) bond length is 1.51 Å. The C(13)-C(28) bond length is 1.40 Å. The C(13)-C(30) bond length is 1.37 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(20), one C(23), and one C(47) atom. The C(14)-C(20) bond length is 1.45 Å. The C(14)-C(23) bond length is 1.41 Å. The C(14)-C(47) bond length is 1.43 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(2), one C(21), and one C(3) atom. The C(15)-C(21) bond length is 1.40 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(35), one C(5), and one H(8) atom. The C(16)-C(35) bond length is 1.39 Å. The C(16)-H(8) bond length is 0.93 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(10), one C(33), and one C(56) atom. The C(17)-C(33) bond length is 1.42 Å. The C(17)-C(56) bond length is 1.44 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(22), one C(28), and one C(8) atom. The C(18)-C(22) bond length is 1.50 Å. The C(18)-C(28) bond length is 1.39 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(12), one C(4), and one H(9) atom. The C(19)-H(9) bond length is 0.93 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(14), one C(23), and one C(43) atom. The C(20)-C(23) bond length is 1.40 Å. The C(20)-C(43) bond length is 1.42 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(15), one C(3), and one C(42) atom. The C(21)-C(42) bond length is 1.45 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(19), and one O(7) atom. The C(22)-O(19) bond length is 1.24 Å. The C(22)-O(7) bond length is 1.25 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(14), one C(20), and one C(4) atom. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(26) atom. The C(24)-C(26) bond length is 1.40 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(29), one C(53), and one H(10) atom. The C(25)-C(29) bond length is 1.37 Å. The C(25)-C(53) bond length is 1.40 Å. The C(25)-H(10) bond length is 0.93 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(24), one C(31), and one C(45) atom. The C(26)-C(31) bond length is 1.42 Å. The C(26)-C(45) bond length is 1.44 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(12), one C(57), and one H(11) atom. The C(27)-C(57) bond length is 1.39 Å. The C(27)-H(11) 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(13), one C(18), and one H(12) atom. The C(28)-H(12) bond length is 0.93 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(25), one C(34), and one C(66) atom. The C(29)-C(34) bond length is 1.40 Å. The C(29)-C(66) bond length is 1.50 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(13), one C(50), and one H(13) atom. The C(30)-C(50) bond length is 1.39 Å. The C(30)-H(13) bond length is 0.93 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(26), one C(33), and one C(61) atom. The C(31)-C(33) bond length is 1.41 Å. The C(31)-C(61) bond length is 1.43 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(33), one C(34), and one C(46) atom. The C(32)-C(33) bond length is 1.51 Å. The C(32)-C(34) bond length is 1.40 Å. The C(32)-C(46) bond length is 1.36 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(17), one C(31), and one C(32) atom. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(29), one C(32), and one H(14) atom. The C(34)-H(14) bond length is 0.93 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(11), one C(16), and one C(67) atom. The C(35)-C(67) bond length is 1.50 Å. In the thirty-sixth C site, C(37) is bonded in a distorted single-bond geometry to one C(3) and one H(15) atom. The C(37)-H(15) bond length is 0.93 Å. In the thirty-seventh C site, C(41) is bonded in a distorted single-bond geometry to one C(10) and one H(16) atom. The C(41)-H(16) bond length is 0.93 Å. In the thirty-eighth C site, C(42) is bonded in a distorted single-bond geometry to one C(21) and one H(17) atom. The C(42)-H(17) bond length is 0.93 Å. In the thirty-ninth C site, C(43) is bonded in a distorted single-bond geometry to one C(20) and one H(18) atom. The C(43)-H(18) bond length is 0.93 Å. In the fortieth C site, C(45) is bonded in a distorted single-bond geometry to one C(26) and one H(22) atom. The C(45)-H(22) bond length is 0.93 Å. In the forty-first C site, C(46) is bonded in a distorted single-bond geometry to one C(32), one C(53), and one H(23) atom. The C(46)-C(53) bond length is 1.42 Å. The C(46)-H(23) bond length is 0.93 Å. In the forty-second C site, C(47) is bonded in a distorted single-bond geometry to one C(14) and one H(24) atom. The C(47)-H(24) bond length is 0.93 Å. In the forty-third C site, C(48) is bonded in a distorted bent 120 degrees geometry to one C(50), one O(11), and one O(5) atom. The C(48)-C(50) bond length is 1.49 Å. The C(48)-O(11) bond length is 1.22 Å. The C(48)-O(5) bond length is 1.30 Å. In the forty-fourth C site, C(50) is bonded in a trigonal planar geometry to one C(30), one C(48), and one C(8) atom. In the forty-fifth C site, C(53) is bonded in a trigonal planar geometry to one C(25), one C(46), and one C(63) atom. The C(53)-C(63) bond length is 1.48 Å. In the forty-sixth C site, C(56) is bonded in a distorted single-bond geometry to one C(17) and one H(31) atom. The C(56)-H(31) bond length is 0.93 Å. In the forty-seventh C site, C(57) is bonded in a trigonal planar geometry to one C(27), one C(58), and one C(7) atom. The C(57)-C(58) bond length is 1.48 Å. In the forty-eighth C site, C(58) is bonded in a bent 120 degrees geometry to one C(57), one O(24), and one O(6) atom. The C(58)-O(24) bond length is 1.19 Å. The C(58)-O(6) bond length is 1.30 Å. In the forty-ninth C site, C(61) is bonded in a distorted single-bond geometry to one C(31) and one H(38) atom. The C(61)-H(38) bond length is 0.93 Å. In the fiftieth C site, C(63) is bonded in a bent 120 degrees geometry to one C(53), one O(14), and one O(9) atom. The C(63)-O(14) bond length is 1.31 Å. The C(63)-O(9) bond length is 1.21 Å. In the fifty-first C site, C(66) is bonded in a distorted bent 120 degrees geometry to one C(29), one O(20), and one O(23) atom. The C(66)-O(20) bond length is 1.27 Å. The C(66)-O(23) bond length is 1.24 Å. In the fifty-second C site, C(67) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(21), and one O(22) atom. The C(67)-O(21) bond length is 1.33 Å. The C(67)-O(22) bond length is 1.20 Å. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.82 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.82 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. The H(3)-O(14) bond length is 0.82 Å. 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(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(19) 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 single-bond geometry to one C(28) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(30) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(34) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(37) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(41) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(42) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(43) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(45) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(46) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(47) atom. In the twenty-second H site, H(31) is bonded in a single-bond geometry to one C(56) atom. In the twenty-third H site, H(38) is bonded in a single-bond geometry to one C(61) atom. In the twenty-fourth H site, H(45) is bonded in a single-bond geometry to one O(21) atom. The H(45)-O(21) bond length is 0.82 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2) and one C(6) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one C(48) and one H(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one C(58) and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one C(22) atom. In the eighth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2) and one C(63) atom. In the ninth O site, O(11) is bonded in a single-bond geometry to one Ba(1) and one C(48) atom. In the tenth O site, O(14) is bonded in a water-like geometry to one C(63) and one H(3) atom. In the eleventh O site, O(19) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(22) atom. In the twelfth O site, O(20) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(66) atom. In the thirteenth O site, O(21) is bonded in a water-like geometry to one C(67) and one H(45) atom. In the fourteenth O site, O(22) is bonded in a single-bond geometry to one Ba(1) and one C(67) atom. In the fifteenth O site, O(23) is bonded in a distorted single-bond geometry to one Ba(2) and one C(66) atom. In the sixteenth O site, O(24) is bonded in a distorted single-bond geometry to one Ba(2) and one C(58) atom. Linkers: 5 COc1cc2c(-c3cc(C([O])=O)cc(C(=O)O)c3)c3cc(OC)c(OC)cc3c(-c3cc(C([O])=O)cc(C(=O)O)c3)c2cc1OC ,4 COc1cc2c(-c3c[c]cc(C([O])=O)c3)c3cc(OC)c(OC)cc3c(-c3cc(C([O])=O)cc(C(=O)O)c3)c2cc1OC. Metal clusters: 4 [Ba]. The MOF has largest included sphere 5.98 A, density 1.39 g/cm3, surface area 4230.94 m2/g, accessible volume 0.27 cm3/g