Ba6C43H19O27(CH)5 crystallizes in the monoclinic P2_1/c space group. The structure consists of twenty 02329_fluka molecules inside a Ba6C43H19O27 framework. In the Ba6C43H19O27 framework, there are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(15), one O(17), one O(18), one O(24), and one O(25) atom. The Ba(1)-O(10) bond length is 2.77 Å. The Ba(1)-O(14) bond length is 2.67 Å. The Ba(1)-O(15) bond length is 2.91 Å. The Ba(1)-O(17) bond length is 2.90 Å. The Ba(1)-O(18) bond length is 3.22 Å. The Ba(1)-O(24) bond length is 2.75 Å. The Ba(1)-O(25) bond length is 3.06 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(16), one O(17), one O(19), one O(20), one O(22), one O(26), one O(4), and one O(8) atom. The Ba(2)-O(16) bond length is 2.93 Å. The Ba(2)-O(17) bond length is 2.69 Å. The Ba(2)-O(19) bond length is 2.97 Å. The Ba(2)-O(20) bond length is 2.97 Å. The Ba(2)-O(22) bond length is 2.84 Å. The Ba(2)-O(26) bond length is 2.97 Å. The Ba(2)-O(4) bond length is 2.67 Å. The Ba(2)-O(8) bond length is 2.71 Å. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(24), and one O(6) atom. The Ba(3)-O(1) bond length is 2.80 Å. The Ba(3)-O(10) bond length is 2.81 Å. The Ba(3)-O(12) bond length is 2.73 Å. The Ba(3)-O(13) bond length is 2.76 Å. The Ba(3)-O(24) bond length is 2.89 Å. The Ba(3)-O(6) bond length is 2.66 Å. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(15), one O(2), one O(25), one O(7), and one O(9) atom. The Ba(4)-O(1) bond length is 2.97 Å. The Ba(4)-O(13) bond length is 2.81 Å. The Ba(4)-O(15) bond length is 2.91 Å. The Ba(4)-O(2) bond length is 2.80 Å. The Ba(4)-O(25) bond length is 2.84 Å. The Ba(4)-O(7) bond length is 2.76 Å. The Ba(4)-O(9) bond length is 2.65 Å. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(16), one O(19), one O(21), one O(26), and one O(27) atom. The Ba(5)-O(11) bond length is 2.77 Å. The Ba(5)-O(12) bond length is 2.88 Å. The Ba(5)-O(16) bond length is 2.73 Å. The Ba(5)-O(19) bond length is 2.78 Å. The Ba(5)-O(21) bond length is 2.66 Å. The Ba(5)-O(26) bond length is 2.92 Å. The Ba(5)-O(27) bond length is 2.77 Å. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one H(23), one O(20), one O(21), one O(22), one O(23), one O(27), one O(3), one O(4), and one O(5) atom. The Ba(6)-H(23) bond length is 2.91 Å. The Ba(6)-O(20) bond length is 2.75 Å. The Ba(6)-O(21) bond length is 2.91 Å. The Ba(6)-O(22) bond length is 2.85 Å. The Ba(6)-O(23) bond length is 2.77 Å. The Ba(6)-O(27) bond length is 2.90 Å. The Ba(6)-O(3) bond length is 2.86 Å. The Ba(6)-O(4) bond length is 2.85 Å. The Ba(6)-O(5) bond length is 2.78 Å. There are forty-three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.41 Å. The C(1)-C(7) bond length is 1.50 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(13), and one C(3) atom. The C(2)-C(13) bond length is 1.52 Å. The C(2)-C(3) bond length is 1.37 Å. In the third C site, C(3) is bonded in a single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(5)-C(6) bond length is 1.37 Å. The C(5)-H(3) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(14), and one C(5) atom. The C(6)-C(14) bond length is 1.52 Å. In the sixth C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(12), and one C(8) atom. The C(7)-C(12) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.40 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(15), one C(7), and one C(9) atom. The C(8)-C(15) bond length is 1.49 Å. The C(8)-C(9) bond length is 1.38 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(4) atom. The C(9)-H(4) bond length is 0.93 Å. In the ninth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(6) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-H(6) bond length is 0.93 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(16), and one C(7) atom. The C(12)-C(16) bond length is 1.51 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(13)-O(1) bond length is 1.26 Å. The C(13)-O(2) bond length is 1.25 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(14)-O(3) bond length is 1.25 Å. The C(14)-O(4) bond length is 1.25 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(5), and one O(6) atom. The C(15)-O(5) bond length is 1.26 Å. The C(15)-O(6) bond length is 1.28 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(7), and one O(8) atom. The C(16)-O(7) bond length is 1.23 Å. The C(16)-O(8) bond length is 1.27 Å. In the fifteenth C site, C(17) is bonded in a trigonal planar geometry to one C(18), one C(22), and one C(23) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-C(22) bond length is 1.42 Å. The C(17)-C(23) bond length is 1.49 Å. In the sixteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(29) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(29) bond length is 1.51 Å. In the seventeenth C site, C(19) is bonded in a single-bond geometry to one C(18) and one H(7) atom. The C(19)-H(7) bond length is 0.93 Å. In the eighteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one H(9) atom. The C(21)-C(22) bond length is 1.38 Å. The C(21)-H(9) bond length is 0.93 Å. In the nineteenth C site, C(22) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(30) atom. The C(22)-C(30) bond length is 1.50 Å. In the twentieth C site, C(23) is bonded in a trigonal planar geometry to one C(17), one C(24), and one C(28) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-C(28) bond length is 1.40 Å. In the twenty-first C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(31) atom. The C(24)-C(25) bond length is 1.40 Å. The C(24)-C(31) bond length is 1.50 Å. In the twenty-second 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 1.36 Å. The C(25)-H(10) bond length is 0.93 Å. In the twenty-third C site, C(26) is bonded in a distorted trigonal planar geometry to one C(25), one C(27), and one H(11) atom. The C(26)-C(27) bond length is 1.37 Å. The C(26)-H(11) bond length is 0.93 Å. In the twenty-fourth C site, C(27) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one H(12) atom. The C(27)-C(28) bond length is 1.41 Å. The C(27)-H(12) bond length is 0.93 Å. In the twenty-fifth C site, C(28) is bonded in a trigonal planar geometry to one C(23), one C(27), and one C(32) atom. The C(28)-C(32) bond length is 1.51 Å. In the twenty-sixth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(10), and one O(9) atom. The C(29)-O(10) bond length is 1.27 Å. The C(29)-O(9) bond length is 1.25 Å. In the twenty-seventh C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(11), and one O(12) atom. The C(30)-O(11) bond length is 1.25 Å. The C(30)-O(12) bond length is 1.25 Å. In the twenty-eighth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(13), and one O(14) atom. The C(31)-O(13) bond length is 1.25 Å. The C(31)-O(14) bond length is 1.24 Å. In the twenty-ninth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(15), and one O(16) atom. The C(32)-O(15) bond length is 1.24 Å. The C(32)-O(16) bond length is 1.29 Å. In the thirtieth C site, C(33) is bonded in a trigonal planar geometry to one C(34), one C(38), and one C(39) atom. The C(33)-C(34) bond length is 1.42 Å. The C(33)-C(38) bond length is 1.42 Å. The C(33)-C(39) bond length is 1.48 Å. In the thirty-first C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(45) atom. The C(34)-C(35) bond length is 1.39 Å. The C(34)-C(45) bond length is 1.51 Å. In the thirty-second C site, C(35) is bonded in a distorted single-bond geometry to one C(34) and one H(13) atom. The C(35)-H(13) bond length is 0.93 Å. In the thirty-third C site, C(37) is bonded in a distorted single-bond geometry to one C(38) and one H(15) atom. The C(37)-C(38) bond length is 1.37 Å. The C(37)-H(15) bond length is 0.93 Å. In the thirty-fourth C site, C(38) is bonded in a trigonal planar geometry to one C(33), one C(37), and one C(46) atom. The C(38)-C(46) bond length is 1.52 Å. In the thirty-fifth C site, C(39) is bonded in a trigonal planar geometry to one C(33), one C(40), and one C(44) atom. The C(39)-C(40) bond length is 1.41 Å. The C(39)-C(44) bond length is 1.38 Å. In the thirty-sixth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(47) atom. The C(40)-C(41) bond length is 1.39 Å. The C(40)-C(47) bond length is 1.51 Å. In the thirty-seventh C site, C(41) is bonded in a single-bond geometry to one C(40) and one H(16) atom. The C(41)-H(16) bond length is 0.93 Å. In the thirty-eighth C site, C(43) is bonded in a distorted single-bond geometry to one C(44) and one H(18) atom. The C(43)-C(44) bond length is 1.41 Å. The C(43)-H(18) bond length is 0.93 Å. In the thirty-ninth C site, C(44) is bonded in a trigonal planar geometry to one C(39), one C(43), and one C(48) atom. The C(44)-C(48) bond length is 1.52 Å. In the fortieth C site, C(45) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(17), and one O(18) atom. The C(45)-O(17) bond length is 1.24 Å. The C(45)-O(18) bond length is 1.26 Å. In the forty-first C site, C(46) is bonded in a distorted bent 120 degrees geometry to one C(38), one O(19), and one O(20) atom. The C(46)-O(19) bond length is 1.26 Å. The C(46)-O(20) bond length is 1.24 Å. In the forty-second C site, C(47) is bonded in a distorted bent 120 degrees geometry to one C(40), one O(21), and one O(22) atom. The C(47)-O(21) bond length is 1.25 Å. The C(47)-O(22) bond length is 1.25 Å. In the forty-third C site, C(48) is bonded in a distorted bent 120 degrees geometry to one C(44), one O(23), and one O(24) atom. The C(48)-O(23) bond length is 1.24 Å. The C(48)-O(24) bond length is 1.26 Å. There are nineteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(19) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(25) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(26) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(27) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(35) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(41) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(43) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one O(25) atom. The H(19)-O(25) bond length is 0.85 Å. In the fifteenth H site, H(20) is bonded in a single-bond geometry to one O(25) atom. The H(20)-O(25) bond length is 0.85 Å. In the sixteenth H site, H(21) is bonded in a single-bond geometry to one O(26) atom. The H(21)-O(26) bond length is 0.72 Å. In the seventeenth H site, H(22) is bonded in a single-bond geometry to one O(26) atom. The H(22)-O(26) bond length is 0.85 Å. In the eighteenth H site, H(23) is bonded in a single-bond geometry to one Ba(6) and one O(27) atom. The H(23)-O(27) bond length is 0.85 Å. In the nineteenth H site, H(24) is bonded in a single-bond geometry to one O(27) atom. The H(24)-O(27) bond length is 0.85 Å. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), and one C(13) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(4) and one C(13) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(6) and one C(14) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(14) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(6) and one C(15) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(3) and one C(15) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(4) and one C(16) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(2) and one C(16) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(4) and one C(29) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(29) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(5) and one C(30) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(5), and one C(30) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), and one C(31) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1) and one C(31) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ba(1), one Ba(4), and one C(32) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(5), and one C(32) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(45) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Ba(1) and one C(45) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one Ba(2), one Ba(5), and one C(46) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(46) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(6), and one C(47) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(47) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Ba(6) and one C(48) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(48) atom. In the twenty-fifth O site, O(25) is bonded in a water-like geometry to one Ba(1), one Ba(4), one H(19), and one H(20) atom. In the twenty-sixth O site, O(26) is bonded in a water-like geometry to one Ba(2), one Ba(5), one H(21), and one H(22) atom. In the twenty-seventh O site, O(27) is bonded in a distorted water-like geometry to one Ba(5), one Ba(6), one H(23), and one H(24) atom. Linkers: 12 [O]C(=O)c1cccc(C([O])=O)c1-c1c(C([O])=O)cccc1C([O])=O. Metal clusters: 24 [Ba]. The MOF has largest included sphere 4.44 A, density 1.97 g/cm3, surface area 2751.70 m2/g, accessible volume 0.18 cm3/g