Ba2Cd2C35NH28O24CH3 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a Ba2Cd2C35NH28O24 framework. In the Ba2Cd2C35NH28O24 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(15), one O(17), one O(22), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. The Ba(1)-O(15) bond length is 3.16 Å. The Ba(1)-O(17) bond length is 2.76 Å. The Ba(1)-O(22) bond length is 2.95 Å. The Ba(1)-O(3) bond length is 2.76 Å. The Ba(1)-O(4) bond length is 2.72 Å. The Ba(1)-O(6) bond length is 2.69 Å. The Ba(1)-O(8) bond length is 2.77 Å. The Ba(1)-O(9) bond length is 2.75 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(14), one O(15), one O(19), one O(2), one O(22), and one O(23) atom. The Ba(2)-O(10) bond length is 2.80 Å. The Ba(2)-O(12) bond length is 2.79 Å. The Ba(2)-O(14) bond length is 2.87 Å. The Ba(2)-O(15) bond length is 2.86 Å. The Ba(2)-O(19) bond length is 2.73 Å. The Ba(2)-O(2) bond length is 2.70 Å. The Ba(2)-O(22) bond length is 3.02 Å. The Ba(2)-O(23) bond length is 2.73 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(1), one O(16), one O(17), one O(2), one O(21), one O(22), and one O(7) atom. The Cd(1)-O(1) bond length is 2.31 Å. The Cd(1)-O(16) bond length is 2.58 Å. The Cd(1)-O(17) bond length is 2.37 Å. The Cd(1)-O(2) bond length is 2.60 Å. The Cd(1)-O(21) bond length is 2.35 Å. The Cd(1)-O(22) bond length is 2.58 Å. The Cd(1)-O(7) bond length is 2.26 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one O(13), one O(15), one O(18), one O(23), one O(24), one O(3), and one O(5) atom. The Cd(2)-O(13) bond length is 2.43 Å. The Cd(2)-O(15) bond length is 2.50 Å. The Cd(2)-O(18) bond length is 2.25 Å. The Cd(2)-O(23) bond length is 2.35 Å. The Cd(2)-O(24) bond length is 2.65 Å. The Cd(2)-O(3) bond length is 2.48 Å. The Cd(2)-O(5) bond length is 2.34 Å. There are thirty-five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(8) atom. The C(1)-C(3) bond length is 1.41 Å. The C(1)-C(7) bond length is 1.40 Å. The C(1)-C(8) bond length is 1.49 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(30) and one H(9) atom. The C(2)-C(30) bond length is 1.40 Å. The C(2)-H(9) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one O(11) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-O(11) bond length is 1.38 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(10) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(10) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(11) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(11) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(9) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(9) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(1), one C(6), and one H(12) atom. The C(7)-H(12) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(3), and one O(5) atom. The C(8)-O(3) bond length is 1.28 Å. The C(8)-O(5) bond length is 1.28 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(7), and one O(9) atom. The C(9)-O(7) bond length is 1.29 Å. The C(9)-O(9) bond length is 1.26 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(15) and one O(11) atom. The C(10)-C(15) bond length is 1.39 Å. The C(10)-O(11) bond length is 1.39 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(13) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(13) bond length is 1.09 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(16) atom. The C(12)-C(13) bond length is 1.41 Å. The C(12)-C(16) bond length is 1.50 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(17) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-C(17) bond length is 1.50 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(14) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(14) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one H(15) atom. The C(15)-H(15) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(12), one O(13), and one O(15) atom. The C(16)-O(13) bond length is 1.26 Å. The C(16)-O(15) bond length is 1.29 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(16), and one O(17) atom. The C(17)-O(16) bond length is 1.27 Å. The C(17)-O(17) bond length is 1.28 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(19), one C(23), and one H(16) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(23) bond length is 1.40 Å. The C(18)-H(16) bond length is 1.09 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(24) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-C(24) bond length is 1.49 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one H(17) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(17) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one H(18) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-H(18) bond length is 1.09 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 O(20) atom. The C(22)-C(23) bond length is 1.41 Å. The C(22)-O(20) bond length is 1.38 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(18), one C(22), and one C(25) atom. The C(23)-C(25) bond length is 1.49 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(18), and one O(19) atom. The C(24)-O(18) bond length is 1.30 Å. The C(24)-O(19) bond length is 1.26 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(1), and one O(2) atom. The C(25)-O(1) bond length is 1.28 Å. The C(25)-O(2) bond length is 1.27 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(27) and one O(20) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-O(20) bond length is 1.39 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one C(28), and one H(19) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-H(19) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one H(20) atom. The C(28)-C(29) bond length is 1.40 Å. The C(28)-H(20) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(32) atom. The C(29)-C(30) bond length is 1.41 Å. The C(29)-C(32) bond length is 1.50 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(2), one C(29), and one C(31) atom. The C(30)-C(31) bond length is 1.50 Å. In the thirty-first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(21), and one O(22) atom. The C(31)-O(21) bond length is 1.27 Å. The C(31)-O(22) bond length is 1.29 Å. In the thirty-second C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(29), one O(23), and one O(24) atom. The C(32)-O(23) bond length is 1.28 Å. The C(32)-O(24) bond length is 1.26 Å. In the thirty-third C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(4) atom. The C(34)-N(1) bond length is 1.35 Å. The C(34)-O(4) bond length is 1.27 Å. In the thirty-fourth C site, C(35) is bonded to one N(1), one H(24), one H(25), and one H(26) atom to form corner-sharing CH3N tetrahedra. The C(35)-N(1) bond length is 1.46 Å. The C(35)-H(24) bond length is 1.09 Å. The C(35)-H(25) bond length is 1.10 Å. The C(35)-H(26) bond length is 1.10 Å. In the thirty-fifth C site, C(36) is bonded to one N(1), one H(27), one H(28), and one H(29) atom to form corner-sharing CH3N tetrahedra. The C(36)-N(1) bond length is 1.46 Å. The C(36)-H(27) bond length is 1.10 Å. The C(36)-H(28) bond length is 1.10 Å. The C(36)-H(29) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one C(34), one C(35), and one C(36) atom. There are twenty-eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. The H(1)-O(6) bond length is 0.99 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 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. The H(3)-O(8) bond length is 0.97 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. The H(4)-O(8) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(10) atom. The H(5)-O(10) bond length is 0.97 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(10) atom. The H(6)-O(10) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) atom. The H(7)-O(14) bond length is 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(14) atom. The H(8)-O(14) bond length is 0.99 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(7) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(11) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(20) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(21) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(27) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(28) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(35) atom. In the twenty-second H site, H(25) is bonded in a single-bond geometry to one C(35) atom. In the twenty-third H site, H(26) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fourth H site, H(27) is bonded in a single-bond geometry to one C(36) atom. In the twenty-fifth H site, H(28) is bonded in a single-bond geometry to one C(36) atom. In the twenty-sixth H site, H(29) is bonded in a single-bond geometry to one C(36) atom. In the twenty-seventh H site, H(30) is bonded in a single-bond geometry to one O(12) atom. The H(30)-O(12) bond length is 0.97 Å. In the twenty-eighth H site, H(31) is bonded in a single-bond geometry to one O(12) atom. The H(31)-O(12) bond length is 0.99 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cd(1) and one C(25) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), one Cd(1), and one C(25) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Cd(2), and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one C(34) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Cd(2) and one C(8) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ba(1), one H(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Cd(1) and one C(9) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one H(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(1) and one C(9) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ba(2), one H(5), and one H(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(3) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ba(2), one H(30), and one H(31) atom. In the thirteenth O site, O(13) is bonded in a distorted L-shaped geometry to one Cd(2) and one C(16) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Ba(2), one H(7), and one H(8) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Cd(2), and one C(16) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cd(1) and one C(17) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Ba(1), one Cd(1), and one C(17) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Cd(2) and one C(24) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Ba(2) and one C(24) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one C(22) and one C(26) atom. In the twenty-first O site, O(21) is bonded in a distorted water-like geometry to one Cd(1) and one C(31) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Cd(1), and one C(31) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Ba(2), one Cd(2), and one C(32) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Cd(2) and one C(32) atom. Linkers: 8 [O]C(=O)c1ccc(Oc2ccc(C([O])=O)c(C([O])=O)c2)c(C([O])=O)c1. Metal clusters: 8 [Ba] ,8 [Cd]. The MOF has largest included sphere 4.79 A, density 1.82 g/cm3, surface area 3387.91 m2/g, accessible volume 0.18 cm3/g