Gd4C37H17(NO3)6(CH)3C3H2 crystallizes in the monoclinic C2/c space group. The structure consists of twenty-four 02329_fluka molecules and four 2,3-dimethyl-1,3-butadiene molecules inside a Gd4C37H17(NO3)6 framework. In the Gd4C37H17(NO3)6 framework, there are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Gd(1)-O(1) bond length is 2.47 Å. The Gd(1)-O(2) bond length is 2.48 Å. The Gd(1)-O(3) bond length is 2.39 Å. The Gd(1)-O(4) bond length is 2.39 Å. The Gd(1)-O(5) bond length is 2.33 Å. The Gd(1)-O(6) bond length is 2.36 Å. The Gd(1)-O(7) bond length is 2.49 Å. The Gd(1)-O(8) bond length is 2.48 Å. In the second Gd site, Gd(2) is bonded to one O(11), one O(12), one O(13), one O(14), one O(3), and one O(4) atom to form distorted edge-sharing GdO6 pentagonal pyramids. The Gd(2)-O(11) bond length is 2.36 Å. The Gd(2)-O(12) bond length is 2.39 Å. The Gd(2)-O(13) bond length is 2.37 Å. The Gd(2)-O(14) bond length is 2.37 Å. The Gd(2)-O(3) bond length is 2.37 Å. The Gd(2)-O(4) bond length is 2.39 Å. In the third Gd site, Gd(3) is bonded to one O(10), one O(12), one O(15), one O(16), one O(3), and one O(5) atom to form distorted edge-sharing GdO6 pentagonal pyramids. The Gd(3)-O(10) bond length is 2.31 Å. The Gd(3)-O(12) bond length is 2.37 Å. The Gd(3)-O(15) bond length is 2.34 Å. The Gd(3)-O(16) bond length is 2.44 Å. The Gd(3)-O(3) bond length is 2.48 Å. The Gd(3)-O(5) bond length is 2.43 Å. In the fourth Gd site, Gd(4) is bonded to one O(12), one O(17), one O(18), one O(4), one O(5), and one O(9) atom to form distorted edge-sharing GdO6 pentagonal pyramids. The Gd(4)-O(12) bond length is 2.36 Å. The Gd(4)-O(17) bond length is 2.34 Å. The Gd(4)-O(18) bond length is 2.45 Å. The Gd(4)-O(4) bond length is 2.40 Å. The Gd(4)-O(5) bond length is 2.44 Å. The Gd(4)-O(9) bond length is 2.30 Å. There are thirty-seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(9) atom. The C(1)-C(3) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(9) bond length is 1.26 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(4), one O(10), and one O(2) atom. The C(2)-C(4) bond length is 1.49 Å. The C(2)-O(10) bond length is 1.27 Å. The C(2)-O(2) bond length is 1.26 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(6) atom. The C(3)-C(5) bond length is 1.39 Å. The C(3)-C(6) bond length is 1.41 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(7), and one C(8) atom. The C(4)-C(7) bond length is 1.38 Å. The C(4)-C(8) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(3) and one H(1) atom. The C(5)-H(1) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(13), one C(3), and one N(1) atom. The C(6)-C(13) bond length is 1.50 Å. The C(6)-N(1) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(7)-H(2) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a single-bond geometry to one C(4) and one H(3) atom. The C(8)-H(3) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(11), and one O(16) atom. The C(9)-C(16) bond length is 1.49 Å. The C(9)-O(11) bond length is 1.24 Å. The C(9)-O(16) bond length is 1.28 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(13), and one O(18) atom. The C(10)-C(17) bond length is 1.50 Å. The C(10)-O(13) bond length is 1.24 Å. The C(10)-O(18) bond length is 1.27 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(15), and one O(17) atom. The C(11)-C(18) bond length is 1.50 Å. The C(11)-O(15) bond length is 1.26 Å. The C(11)-O(17) bond length is 1.25 Å. In the twelfth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(17), one C(6), and one N(2) atom. The C(13)-C(17) bond length is 1.40 Å. The C(13)-N(2) bond length is 1.35 Å. In the thirteenth C site, C(16) is bonded in a trigonal planar geometry to one C(21), one C(22), and one C(9) atom. The C(16)-C(21) bond length is 1.38 Å. The C(16)-C(22) bond length is 1.40 Å. In the fourteenth C site, C(17) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(23) atom. The C(17)-C(23) bond length is 1.39 Å. In the fifteenth C site, C(18) is bonded in a trigonal planar geometry to one C(11), one C(24), and one C(25) atom. The C(18)-C(24) bond length is 1.39 Å. The C(18)-C(25) bond length is 1.39 Å. In the sixteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7) atom. The C(19)-N(1) bond length is 1.32 Å. The C(19)-H(7) bond length is 0.93 Å. In the seventeenth C site, C(21) is bonded in a distorted single-bond geometry to one C(16) and one H(8) atom. The C(21)-H(8) bond length is 0.93 Å. In the eighteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(16), one C(28), and one N(3) atom. The C(22)-C(28) bond length is 1.50 Å. The C(22)-N(3) bond length is 1.34 Å. In the nineteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(17) and one H(9) atom. The C(23)-H(9) bond length is 0.93 Å. In the twentieth C site, C(24) is bonded in a distorted single-bond geometry to one C(18) and one H(10) atom. The C(24)-H(10) bond length is 0.93 Å. In the twenty-first C site, C(25) is bonded in a distorted trigonal planar geometry to one C(18), one C(31), and one N(4) atom. The C(25)-C(31) bond length is 1.49 Å. The C(25)-N(4) bond length is 1.33 Å. In the twenty-second C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(11) atom. The C(26)-N(2) bond length is 1.32 Å. The C(26)-H(11) bond length is 0.93 Å. In the twenty-third C site, C(28) is bonded in a distorted trigonal planar geometry to one C(22), one C(33), and one N(5) atom. The C(28)-C(33) bond length is 1.40 Å. The C(28)-N(5) bond length is 1.35 Å. In the twenty-fourth C site, C(30) is bonded in a distorted single-bond geometry to one C(34) and one H(14) atom. The C(30)-C(34) bond length is 1.37 Å. The C(30)-H(14) bond length is 0.93 Å. In the twenty-fifth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(25), one C(35), and one N(6) atom. The C(31)-C(35) bond length is 1.41 Å. The C(31)-N(6) bond length is 1.35 Å. In the twenty-sixth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(15) atom. The C(32)-N(3) bond length is 1.34 Å. The C(32)-H(15) bond length is 0.93 Å. In the twenty-seventh C site, C(33) is bonded in a trigonal planar geometry to one C(28), one C(36), and one C(37) atom. The C(33)-C(36) bond length is 1.39 Å. The C(33)-C(37) bond length is 1.50 Å. In the twenty-eighth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(30), one N(4), and one H(16) atom. The C(34)-N(4) bond length is 1.34 Å. The C(34)-H(16) bond length is 0.93 Å. In the twenty-ninth C site, C(35) is bonded in a trigonal planar geometry to one C(31), one C(39), and one C(40) atom. The C(35)-C(39) bond length is 1.38 Å. The C(35)-C(40) bond length is 1.50 Å. In the thirtieth C site, C(36) is bonded in a distorted single-bond geometry to one C(33) and one H(17) atom. The C(36)-H(17) bond length is 0.93 Å. In the thirty-first C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(33), one O(7), and one O(8) atom. The C(37)-O(7) bond length is 1.27 Å. The C(37)-O(8) bond length is 1.27 Å. In the thirty-second C site, C(38) is bonded in a distorted trigonal planar geometry to one C(42), one N(5), and one H(18) atom. The C(38)-C(42) bond length is 1.39 Å. The C(38)-N(5) bond length is 1.34 Å. The C(38)-H(18) bond length is 0.93 Å. In the thirty-third C site, C(39) is bonded in a distorted single-bond geometry to one C(35) and one H(19) atom. The C(39)-H(19) bond length is 0.93 Å. In the thirty-fourth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(14), and one O(6) atom. The C(40)-O(14) bond length is 1.24 Å. The C(40)-O(6) bond length is 1.27 Å. In the thirty-fifth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(43), one N(6), and one H(20) atom. The C(41)-C(43) bond length is 1.37 Å. The C(41)-N(6) bond length is 1.33 Å. The C(41)-H(20) bond length is 0.93 Å. In the thirty-sixth C site, C(42) is bonded in a single-bond geometry to one C(38) and one H(21) atom. The C(42)-H(21) bond length is 0.93 Å. In the thirty-seventh C site, C(43) is bonded in a distorted single-bond geometry to one C(41) and one H(22) atom. The C(43)-H(22) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(19) and one C(6) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(13) and one C(26) atom. In the third N site, N(6) is bonded in a bent 120 degrees geometry to one C(31) and one C(41) atom. In the fourth N site, N(3) is bonded in a bent 120 degrees geometry to one C(22) and one C(32) atom. In the fifth N site, N(4) is bonded in a bent 120 degrees geometry to one C(25) and one C(34) atom. In the sixth N site, N(5) is bonded in a bent 120 degrees geometry to one C(28) and one C(38) atom. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) 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(7) is bonded in a single-bond geometry to one C(19) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(21) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(23) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(24) 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(14) is bonded in a single-bond geometry to one C(30) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(32) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(34) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(36) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(38) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one C(39) atom. In the fifteenth H site, H(20) is bonded in a single-bond geometry to one C(41) atom. In the sixteenth H site, H(21) is bonded in a single-bond geometry to one C(42) atom. In the seventeenth H site, H(22) is bonded in a single-bond geometry to one C(43) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one C(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Gd(1), one Gd(3), and one Gd(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Gd(1) and one C(40) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Gd(1) and one C(37) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Gd(1) and one C(37) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Gd(4) and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Gd(3) and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Gd(2) and one C(9) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Gd(2), one Gd(3), and one Gd(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Gd(2) and one C(10) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Gd(2) and one C(40) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Gd(3) and one C(11) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Gd(3) and one C(9) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Gd(4) and one C(11) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Gd(4) and one C(10) atom. Linkers: 24 [O]C(=O)c1cccnc1-c1ncccc1C([O])=O ,4 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 4 [C]1O[Gd@@]23O[C]O[Gd]456O[C]O[Gd]7(O1)(O[C]O[Gd](O[C]O2)(O[C]O4)(O7)(O5)O6)O3.[O][C]=O ,4 [C]1O[Gd@]23O[C]O[Gd]456O[C]O[Gd]7(O1)(O[C]O[Gd](O[C]O2)(O[C]O4)(O7)(O5)O6)O3.[O][C]=O. RCSR code: pcu. The MOF has largest included sphere 5.20 A, density 1.67 g/cm3, surface area 3015.61 m2/g, accessible volume 0.26 cm3/g