Tb2Cu3C40H36(N3O17)2(CH)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a Tb2Cu3C40H36(N3O17)2 framework. In the Tb2Cu3C40H36(N3O17)2 framework, Tb(1) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. The Tb(1)-O(10) bond length is 2.41 Å. The Tb(1)-O(13) bond length is 2.33 Å. The Tb(1)-O(15) bond length is 2.34 Å. The Tb(1)-O(2) bond length is 2.50 Å. The Tb(1)-O(4) bond length is 2.39 Å. The Tb(1)-O(5) bond length is 2.37 Å. The Tb(1)-O(7) bond length is 2.28 Å. The Tb(1)-O(8) bond length is 2.45 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one O(1), one O(12), one O(14), and one O(16) atom. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(3) bond length is 1.98 Å. The Cu(1)-O(1) bond length is 2.00 Å. The Cu(1)-O(12) bond length is 2.64 Å. The Cu(1)-O(14) bond length is 2.01 Å. The Cu(1)-O(16) bond length is 2.55 Å. In the second Cu site, Cu(2) is bonded in a distorted octahedral geometry to two equivalent N(2), two equivalent O(6), and two equivalent O(9) atoms. Both Cu(2)-N(2) bond lengths are 1.96 Å. Both Cu(2)-O(6) bond lengths are 2.61 Å. Both Cu(2)-O(9) bond lengths are 1.98 Å. There are twenty inequivalent C sites. In the first C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(16) atom. The C(12)-C(11) bond length is 1.40 Å. The C(12)-N(2) bond length is 1.34 Å. The C(12)-H(16) bond length is 1.09 Å. In the second C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(11), and one O(9) atom. The C(13)-C(8) bond length is 1.51 Å. The C(13)-O(11) bond length is 1.25 Å. The C(13)-O(9) bond length is 1.28 Å. In the third C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(12), and one O(13) atom. The C(14)-C(9) bond length is 1.51 Å. The C(14)-O(12) bond length is 1.27 Å. The C(14)-O(13) bond length is 1.27 Å. In the fourth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(16), one C(20), and one N(3) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(20) bond length is 1.49 Å. The C(15)-N(3) bond length is 1.36 Å. In the fifth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.41 Å. The C(16)-C(21) bond length is 1.53 Å. In the sixth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(17) atom. The C(17)-H(17) bond length is 1.09 Å. In the seventh C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(19) atom. The C(19)-N(3) bond length is 1.34 Å. The C(19)-H(19) bond length is 1.09 Å. In the eighth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(14), and one O(15) atom. The C(20)-O(14) bond length is 1.29 Å. The C(20)-O(15) bond length is 1.25 Å. In the ninth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(16), and one O(17) atom. The C(21)-O(16) bond length is 1.26 Å. The C(21)-O(17) bond length is 1.27 Å. In the tenth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.50 Å. The C(1)-N(1) bond length is 1.35 Å. In the eleventh C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.52 Å. In the twelfth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(5) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(5) bond length is 1.09 Å. In the thirteenth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(8) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(8) bond length is 1.09 Å. In the fourteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(11) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(11) bond length is 1.09 Å. In the fifteenth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(3) atom. The C(6)-O(1) bond length is 1.30 Å. The C(6)-O(3) bond length is 1.25 Å. In the sixteenth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(6), and one O(7) atom. The C(7)-O(6) bond length is 1.25 Å. The C(7)-O(7) bond length is 1.28 Å. In the seventeenth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one N(2) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-N(2) bond length is 1.35 Å. In the eighteenth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. In the nineteenth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(14) atom. The C(10)-H(14) bond length is 1.09 Å. In the twentieth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(15) atom. The C(11)-H(15) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(15), and one C(19) atom. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(14) and one O(2) atom. The H(2)-O(14) bond length is 1.71 Å. The H(2)-O(2) bond length is 1.00 Å. In the third H site, H(3) is bonded in a distorted linear geometry to one O(12) and one O(4) atom. The H(3)-O(12) bond length is 1.60 Å. The H(3)-O(4) bond length is 1.02 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 0.97 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(11) and one O(5) atom. The H(6)-O(11) bond length is 1.58 Å. The H(6)-O(5) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(17) and one O(5) atom. The H(7)-O(17) bond length is 1.59 Å. The H(7)-O(5) bond length is 1.02 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(8) atom. The H(9)-O(8) bond length is 0.98 Å. In the tenth H site, H(10) is bonded in a distorted single-bond geometry to one O(3) and one O(8) atom. The H(10)-O(3) bond length is 1.62 Å. The H(10)-O(8) bond length is 1.00 Å. 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 O(10) atom. The H(12)-O(10) bond length is 0.98 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(1) and one O(10) atom. The H(13)-O(1) bond length is 1.71 Å. The H(13)-O(10) bond length is 1.00 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(11) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(12) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(6), and one H(13) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Tb(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one C(6) and one H(10) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Tb(1), one H(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Tb(1), one H(6), and one H(7) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cu(2) and one C(7) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Tb(1) and one C(7) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Tb(1), one H(10), and one H(9) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(13) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Tb(1), one H(12), and one H(13) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one C(13) and one H(6) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cu(1), one C(14), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one C(14) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cu(1), one C(20), and one H(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one C(20) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cu(1) and one C(21) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one C(21) and one H(7) atom. Linkers: 8 [O]C(=O)c1cccnc1C([O])=O. Metal clusters: 4 [Tb] ,6 [Cu]. The MOF has largest included sphere 4.11 A, density 1.96 g/cm3, surface area 3119.40 m2/g, accessible volume 0.16 cm3/g