Cd3H6(C5O4)4(C3H2)2(C3NH4)2(H2O)2 crystallizes in the triclinic P1 space group. The structure consists of two 2,3-dimethyl-1,3-butadiene molecules; four trimethylamine molecules; and four water molecules inside a Cd3H6(C5O4)4 framework. In the Cd3H6(C5O4)4 framework, there are six inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(23), one O(3), one O(30), one O(34), one O(7), and one O(9) atom. The Cd(1)-O(23) bond length is 2.24 Å. The Cd(1)-O(3) bond length is 2.56 Å. The Cd(1)-O(30) bond length is 2.21 Å. The Cd(1)-O(34) bond length is 2.75 Å. The Cd(1)-O(7) bond length is 2.43 Å. The Cd(1)-O(9) bond length is 2.25 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(10), one O(24), one O(29), one O(33), one O(4), and one O(8) atom. The Cd(2)-O(10) bond length is 2.25 Å. The Cd(2)-O(24) bond length is 2.24 Å. The Cd(2)-O(29) bond length is 2.21 Å. The Cd(2)-O(33) bond length is 2.75 Å. The Cd(2)-O(4) bond length is 2.56 Å. The Cd(2)-O(8) bond length is 2.43 Å. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(21), one O(32), one O(36), and one O(5) atom. The Cd(3)-O(1) bond length is 2.56 Å. The Cd(3)-O(11) bond length is 2.25 Å. The Cd(3)-O(21) bond length is 2.24 Å. The Cd(3)-O(32) bond length is 2.21 Å. The Cd(3)-O(36) bond length is 2.75 Å. The Cd(3)-O(5) bond length is 2.43 Å. In the fourth Cd site, Cd(4) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(22), one O(31), one O(35), and one O(6) atom. The Cd(4)-O(12) bond length is 2.24 Å. The Cd(4)-O(2) bond length is 2.56 Å. The Cd(4)-O(22) bond length is 2.24 Å. The Cd(4)-O(31) bond length is 2.21 Å. The Cd(4)-O(35) bond length is 2.75 Å. The Cd(4)-O(6) bond length is 2.43 Å. In the fifth Cd site, Cd(5) is bonded in an octahedral geometry to one O(13), one O(15), one O(17), one O(19), one O(5), and one O(7) atom. The Cd(5)-O(13) bond length is 2.24 Å. The Cd(5)-O(15) bond length is 2.24 Å. The Cd(5)-O(17) bond length is 2.28 Å. The Cd(5)-O(19) bond length is 2.29 Å. The Cd(5)-O(5) bond length is 2.39 Å. The Cd(5)-O(7) bond length is 2.38 Å. In the sixth Cd site, Cd(6) is bonded in an octahedral geometry to one O(14), one O(16), one O(18), one O(20), one O(6), and one O(8) atom. The Cd(6)-O(14) bond length is 2.24 Å. The Cd(6)-O(16) bond length is 2.24 Å. The Cd(6)-O(18) bond length is 2.28 Å. The Cd(6)-O(20) bond length is 2.29 Å. The Cd(6)-O(6) bond length is 2.39 Å. The Cd(6)-O(8) bond length is 2.38 Å. There are twenty-eight inequivalent C sites. In the first C site, C(1,2,3) is bonded in a distorted single-bond geometry to one C(5,6); one C(57); and one H(1,2,3,4) atom. The C(1,2,3)-C(5,6) bond length is 1.40 Å. The C(1,2,3)-C(57) bond length is 1.40 Å. The C(1,2,3)-H(1,2,3,4) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(60); one C(7,8); and one H(1,2,3,4) atom. The C(4)-C(60) bond length is 1.40 Å. The C(4)-C(7,8) bond length is 1.40 Å. The C(4)-H(1,2,3,4) bond length is 1.09 Å. In the third C site, C(5,6) is bonded in a trigonal planar geometry to one C(1,2,3); one C(21,22); and one C(53,54,55,56) atom. The C(5,6)-C(21,22) bond length is 1.40 Å. The C(5,6)-C(53,54,55,56) bond length is 1.51 Å. In the fourth C site, C(7,8) is bonded in a trigonal planar geometry to one C(1,2,3); one C(23,24); and one C(53,54,55,56) atom. The C(7,8)-C(1,2,3) bond length is 1.40 Å. The C(7,8)-C(23,24) bond length is 1.40 Å. The C(7,8)-C(53,54,55,56) bond length is 1.51 Å. In the fifth C site, C(9,11) is bonded in a trigonal planar geometry to one C(13); one C(17,18); and one C(21,22) atom. The C(9,11)-C(13) bond length is 1.50 Å. The C(9,11)-C(17,18) bond length is 1.39 Å. The C(9,11)-C(21,22) bond length is 1.40 Å. In the sixth C site, C(10) is bonded in a trigonal planar geometry to one C(14); one C(17,18); and one C(21,22) atom. The C(10)-C(14) bond length is 1.50 Å. The C(10)-C(17,18) bond length is 1.39 Å. The C(10)-C(21,22) bond length is 1.40 Å. In the seventh C site, C(12) is bonded in a trigonal planar geometry to one C(16); one C(20); and one C(23,24) atom. The C(12)-C(16) bond length is 1.50 Å. The C(12)-C(20) bond length is 1.39 Å. The C(12)-C(23,24) bond length is 1.40 Å. In the eighth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(9,11); one O(13); and one O(21) atom. The C(13)-O(13) bond length is 1.26 Å. The C(13)-O(21) bond length is 1.28 Å. In the ninth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(14), and one O(22) atom. The C(14)-O(14) bond length is 1.26 Å. The C(14)-O(22) bond length is 1.28 Å. In the tenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(9,11); one O(15); and one O(23) atom. The C(15)-C(9,11) bond length is 1.50 Å. The C(15)-O(15) bond length is 1.26 Å. The C(15)-O(23) bond length is 1.28 Å. In the eleventh C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(16), and one O(24) atom. The C(16)-O(16) bond length is 1.26 Å. The C(16)-O(24) bond length is 1.28 Å. In the twelfth C site, C(17,18) is bonded in a distorted single-bond geometry to one C(57); one C(9,11); and one H(5,6,7,8) atom. The C(17,18)-C(57) bond length is 1.40 Å. The C(17,18)-H(5,6,7,8) bond length is 1.09 Å. In the thirteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(59); one C(9,11); and one H(5,6,7,8) atom. The C(19)-C(59) bond length is 1.40 Å. The C(19)-C(9,11) bond length is 1.39 Å. The C(19)-H(5,6,7,8) bond length is 1.09 Å. In the fourteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(12); one C(60); and one H(5,6,7,8) atom. The C(20)-C(60) bond length is 1.40 Å. The C(20)-H(5,6,7,8) bond length is 1.09 Å. In the fifteenth C site, C(21,22) is bonded in a distorted single-bond geometry to one C(5,6); one C(9,11); and one H(9,10,11,12) atom. The C(21,22)-H(9,10,11,12) bond length is 1.09 Å. In the sixteenth C site, C(23,24) is bonded in a distorted single-bond geometry to one C(7,8); one C(9,11); and one H(9,10,11,12) atom. The C(23,24)-C(9,11) bond length is 1.40 Å. The C(23,24)-H(9,10,11,12) bond length is 1.09 Å. In the seventeenth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one O(17) and one O(9) atom. The C(29)-O(17) bond length is 1.26 Å. The C(29)-O(9) bond length is 1.26 Å. In the eighteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(18) atom. The C(30)-O(10) bond length is 1.26 Å. The C(30)-O(18) bond length is 1.26 Å. In the nineteenth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(19) atom. The C(31)-O(11) bond length is 1.26 Å. The C(31)-O(19) bond length is 1.26 Å. In the twentieth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(20) atom. The C(32)-O(12) bond length is 1.26 Å. The C(32)-O(20) bond length is 1.26 Å. In the twenty-first C site, C(53,54,55,56) is bonded in a distorted bent 120 degrees geometry to one C(5,6); one O(29); and one O(33) atom. The C(53,54,55,56)-O(29) bond length is 1.30 Å. The C(53,54,55,56)-O(33) bond length is 1.26 Å. In the twenty-second C site, C(57) is bonded in a trigonal planar geometry to one C(1,2,3); one C(17,18); and one C(61,63) atom. The C(57)-C(61,63) bond length is 1.49 Å. In the twenty-third C site, C(58) is bonded in a trigonal planar geometry to one C(1,2,3); one C(17,18); and one C(62) atom. The C(58)-C(1,2,3) bond length is 1.40 Å. The C(58)-C(17,18) bond length is 1.40 Å. The C(58)-C(62) bond length is 1.49 Å. In the twenty-fourth C site, C(59) is bonded in a trigonal planar geometry to one C(1,2,3); one C(19); and one C(61,63) atom. The C(59)-C(1,2,3) bond length is 1.40 Å. The C(59)-C(61,63) bond length is 1.49 Å. In the twenty-fifth C site, C(60) is bonded in a trigonal planar geometry to one C(20), one C(4), and one C(64) atom. The C(60)-C(64) bond length is 1.49 Å. In the twenty-sixth C site, C(61,63) is bonded in a distorted bent 120 degrees geometry to one C(57), one O(1), and one O(5) atom. The C(61,63)-O(1) bond length is 1.26 Å. The C(61,63)-O(5) bond length is 1.31 Å. In the twenty-seventh C site, C(62) is bonded in a distorted bent 120 degrees geometry to one C(58), one O(2), and one O(6) atom. The C(62)-O(2) bond length is 1.26 Å. The C(62)-O(6) bond length is 1.31 Å. In the twenty-eighth C site, C(64) is bonded in a distorted bent 120 degrees geometry to one C(60), one O(4), and one O(8) atom. The C(64)-O(4) bond length is 1.26 Å. The C(64)-O(8) bond length is 1.31 Å. There are three inequivalent H sites. In the first H site, H(1,2,3,4) is bonded in a single-bond geometry to one C(1,2,3) atom. In the second H site, H(5,6,7,8) is bonded in a single-bond geometry to one C(17,18) atom. In the third H site, H(9,10,11,12) is bonded in a single-bond geometry to one C(21,22) atom. There are thirty-two inequivalent O sites. In the first O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cd(3) and one C(31) atom. In the second O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cd(4) and one C(32) atom. In the third O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cd(5) and one C(13) atom. In the fourth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cd(6) and one C(14) atom. In the fifth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cd(5) and one C(15) atom. In the sixth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Cd(6) and one C(16) atom. In the seventh O site, O(17) is bonded in a bent 120 degrees geometry to one Cd(5) and one C(29) atom. In the eighth O site, O(18) is bonded in a bent 120 degrees geometry to one Cd(6) and one C(30) atom. In the ninth O site, O(19) is bonded in a bent 120 degrees geometry to one Cd(5) and one C(31) atom. In the tenth O site, O(20) is bonded in a bent 120 degrees geometry to one Cd(6) and one C(32) atom. In the eleventh O site, O(21) is bonded in a bent 120 degrees geometry to one Cd(3) and one C(13) atom. In the twelfth O site, O(22) is bonded in a bent 120 degrees geometry to one Cd(4) and one C(14) atom. In the thirteenth O site, O(23) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(15) atom. In the fourteenth O site, O(24) is bonded in a bent 120 degrees geometry to one Cd(2) and one C(16) atom. In the fifteenth O site, O(29) is bonded in a water-like geometry to one Cd(2) and one C(53,54,55,56) atom. In the sixteenth O site, O(30) is bonded in a water-like geometry to one Cd(1) and one C(53,54,55,56) atom. The O(30)-C(53,54,55,56) bond length is 1.30 Å. In the seventeenth O site, O(31) is bonded in a water-like geometry to one Cd(4) and one C(53,54,55,56) atom. The O(31)-C(53,54,55,56) bond length is 1.30 Å. In the eighteenth O site, O(32) is bonded in a water-like geometry to one Cd(3) and one C(53,54,55,56) atom. The O(32)-C(53,54,55,56) bond length is 1.30 Å. In the nineteenth O site, O(33) is bonded in a single-bond geometry to one Cd(2) and one C(53,54,55,56) atom. In the twentieth O site, O(34) is bonded in a single-bond geometry to one Cd(1) and one C(53,54,55,56) atom. The O(34)-C(53,54,55,56) bond length is 1.26 Å. In the twenty-first O site, O(35) is bonded in a single-bond geometry to one Cd(4) and one C(53,54,55,56) atom. The O(35)-C(53,54,55,56) bond length is 1.26 Å. In the twenty-second O site, O(36) is bonded in a single-bond geometry to one Cd(3) and one C(53,54,55,56) atom. The O(36)-C(53,54,55,56) bond length is 1.26 Å. In the twenty-third O site, O(1) is bonded in a distorted single-bond geometry to one Cd(3) and one C(61,63) atom. In the twenty-fourth O site, O(2) is bonded in a distorted single-bond geometry to one Cd(4) and one C(62) atom. In the twenty-fifth O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1) and one C(61,63) atom. The O(3)-C(61,63) bond length is 1.26 Å. In the twenty-sixth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(2) and one C(64) atom. In the twenty-seventh O site, O(5) is bonded in a distorted single-bond geometry to one Cd(3); one Cd(5); and one C(61,63) atom. In the twenty-eighth O site, O(6) is bonded in a distorted single-bond geometry to one Cd(4), one Cd(6), and one C(62) atom. In the twenty-ninth O site, O(7) is bonded in a distorted single-bond geometry to one Cd(1); one Cd(5); and one C(61,63) atom. The O(7)-C(61,63) bond length is 1.31 Å. In the thirtieth O site, O(8) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(6), and one C(64) atom. In the thirty-first O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(29) atom. In the thirty-second O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(30) atom. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,2 [O]C(=O)CN1[CH]C=C(C2=C[CH]N(CC([O])=O)C=C2)C=C1. Metal clusters: 2 O=[C]O[Cd]1O[C]O[Cd]2(O[C]=O)(O[C]=O)(O[C]O1)O[C]O[Cd](O[C]=O)O[C]O2. The MOF has largest included sphere 3.58 A, density 1.82 g/cm3, surface area 3398.21 m2/g, accessible volume 0.16 cm3/g