Tb3H64(C17O2)8(CH)32 crystallizes in the orthorhombic Fdd2 space group. The structure consists of two hundred and fifty-six 02329_fluka molecules inside a Tb3H64(C17O2)8 framework. In the Tb3H64(C17O2)8 framework, there are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(3), one O(4), one O(6), and one O(7) atom. The Tb(1)-O(1) bond length is 2.19 Å. The Tb(1)-O(3) bond length is 2.30 Å. The Tb(1)-O(4) bond length is 2.37 Å. The Tb(1)-O(6) bond length is 2.32 Å. The Tb(1)-O(7) bond length is 2.33 Å. In the second Tb site, Tb(2) is bonded in a pentagonal pyramidal geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms. Both Tb(2)-O(2) bond lengths are 2.29 Å. Both Tb(2)-O(5) bond lengths are 2.26 Å. Both Tb(2)-O(8) bond lengths are 2.35 Å. There are sixty-eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(56) and one H(1) atom. The C(1)-C(56) bond length is 1.43 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(55) and one H(4) atom. The C(4)-C(55) bond length is 1.43 Å. The C(4)-H(4) bond length is 0.93 Å. In the third C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(54), and one C(6) atom. The C(5)-C(10) bond length is 1.44 Å. The C(5)-C(54) bond length is 1.46 Å. The C(5)-C(6) bond length is 1.44 Å. In the fourth C site, C(6) is bonded in a single-bond geometry to one C(5) and one H(5) atom. The C(6)-H(5) bond length is 0.93 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(7)-C(8) bond length is 1.36 Å. The C(7)-H(6) bond length is 0.93 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(7), and one C(9) atom. The C(8)-C(11) bond length is 1.44 Å. The C(8)-C(9) bond length is 1.50 Å. In the seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(7) atom. The C(9)-C(10) bond length is 1.32 Å. The C(9)-H(7) bond length is 0.93 Å. In the eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(5), one C(9), and one H(8) atom. The C(10)-H(8) bond length is 0.93 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(7), and one O(8) atom. The C(11)-O(7) bond length is 1.30 Å. The C(11)-O(8) bond length is 1.24 Å. In the tenth C site, C(12) is bonded in a 2-coordinate geometry to one C(13), one O(1), and one O(2) atom. The C(12)-C(13) bond length is 1.67 Å. The C(12)-O(1) bond length is 1.29 Å. The C(12)-O(2) bond length is 1.25 Å. In the eleventh C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.21 Å. The C(13)-C(18) bond length is 1.50 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(9) atom. The C(14)-C(15) bond length is 1.33 Å. The C(14)-H(9) bond length is 0.93 Å. In the thirteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14), one C(16), and one H(10) atom. The C(15)-C(16) bond length is 1.43 Å. The C(15)-H(10) bond length is 0.93 Å. In the fourteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(24) atom. The C(16)-C(17) bond length is 1.43 Å. The C(16)-C(24) bond length is 1.48 Å. In the fifteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(17)-H(11) bond length is 0.93 Å. In the sixteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(13) and one H(12) atom. The C(18)-H(12) bond length is 0.93 Å. In the seventeenth C site, C(19) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(25) atom. The C(19)-C(20) bond length is 1.49 Å. The C(19)-C(24) bond length is 1.40 Å. The C(19)-C(25) bond length is 1.45 Å. In the eighteenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(28) atom. The C(20)-C(21) bond length is 1.32 Å. The C(20)-C(28) bond length is 1.46 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(33) atom. The C(21)-C(22) bond length is 1.41 Å. The C(21)-C(33) bond length is 1.53 Å. In the twentieth C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(29) atom. The C(22)-C(23) bond length is 1.48 Å. The C(22)-C(29) bond length is 1.41 Å. In the twenty-first C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(32) atom. The C(23)-C(24) bond length is 1.49 Å. The C(23)-C(32) bond length is 1.37 Å. In the twenty-second C site, C(24) is bonded in a trigonal planar geometry to one C(16), one C(19), and one C(23) atom. In the twenty-third C site, C(25) is bonded in a single-bond geometry to one C(19) and one H(13) atom. The C(25)-H(13) bond length is 0.93 Å. In the twenty-fourth C site, C(28) is bonded in a single-bond geometry to one C(20) and one H(16) atom. The C(28)-H(16) bond length is 0.93 Å. In the twenty-fifth C site, C(29) is bonded in a distorted single-bond geometry to one C(22) and one H(17) atom. The C(29)-H(17) bond length is 0.92 Å. In the twenty-sixth C site, C(32) is bonded in a distorted single-bond geometry to one C(23) and one H(20) atom. The C(32)-H(20) bond length is 0.93 Å. In the twenty-seventh C site, C(33) is bonded in a trigonal planar geometry to one C(21), one C(34), and one C(38) atom. The C(33)-C(34) bond length is 1.48 Å. The C(33)-C(38) bond length is 1.29 Å. In the twenty-eighth C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(43) atom. The C(34)-C(35) bond length is 1.41 Å. The C(34)-C(43) bond length is 1.45 Å. In the twenty-ninth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(46) atom. The C(35)-C(36) bond length is 1.46 Å. The C(35)-C(46) bond length is 1.52 Å. In the thirtieth C site, C(36) is bonded in a trigonal planar geometry to one C(35), one C(37), and one C(47) atom. The C(36)-C(37) bond length is 1.48 Å. The C(36)-C(47) bond length is 1.47 Å. In the thirty-first C site, C(37) is bonded in a trigonal planar geometry to one C(36), one C(38), and one C(42) atom. The C(37)-C(38) bond length is 1.41 Å. The C(37)-C(42) bond length is 1.47 Å. In the thirty-second C site, C(38) is bonded in a trigonal planar geometry to one C(33), one C(37), and one C(39) atom. The C(38)-C(39) bond length is 1.57 Å. In the thirty-third C site, C(39) is bonded in a distorted single-bond geometry to one C(38) and one H(21) atom. The C(39)-H(21) bond length is 0.93 Å. In the thirty-fourth C site, C(42) is bonded in a distorted single-bond geometry to one C(37) and one H(24) atom. The C(42)-H(24) bond length is 0.93 Å. In the thirty-fifth C site, C(43) is bonded in a distorted single-bond geometry to one C(34) and one H(25) atom. The C(43)-H(25) bond length is 0.93 Å. In the thirty-sixth C site, C(46) is bonded in a distorted single-bond geometry to one C(35) and one H(28) atom. The C(46)-H(28) bond length is 0.93 Å. In the thirty-seventh C site, C(47) is bonded in a trigonal planar geometry to one C(36), one C(48), and one C(52) atom. The C(47)-C(48) bond length is 1.29 Å. The C(47)-C(52) bond length is 1.38 Å. In the thirty-eighth C site, C(48) is bonded in a distorted single-bond geometry to one C(47) and one H(29) atom. The C(48)-H(29) bond length is 0.93 Å. In the thirty-ninth C site, C(49) is bonded in a distorted single-bond geometry to one C(50) and one H(30) atom. The C(49)-C(50) bond length is 1.38 Å. The C(49)-H(30) bond length is 0.93 Å. In the fortieth C site, C(50) is bonded in a trigonal planar geometry to one C(49), one C(51), and one C(53) atom. The C(50)-C(51) bond length is 1.40 Å. The C(50)-C(53) bond length is 1.49 Å. In the forty-first C site, C(51) is bonded in a distorted single-bond geometry to one C(50) and one H(31) atom. The C(51)-H(31) bond length is 0.93 Å. In the forty-second C site, C(52) is bonded in a distorted single-bond geometry to one C(47) and one H(32) atom. The C(52)-H(32) bond length is 0.93 Å. In the forty-third C site, C(53) is bonded in a distorted bent 120 degrees geometry to one C(50), one O(3), and one O(4) atom. The C(53)-O(3) bond length is 1.28 Å. The C(53)-O(4) bond length is 1.13 Å. In the forty-fourth C site, C(54) is bonded in a trigonal planar geometry to one C(5), one C(55), and one C(59) atom. The C(54)-C(55) bond length is 1.34 Å. The C(54)-C(59) bond length is 1.44 Å. In the forty-fifth C site, C(55) is bonded in a trigonal planar geometry to one C(4), one C(54), and one C(56) atom. The C(55)-C(56) bond length is 1.51 Å. In the forty-sixth C site, C(56) is bonded in a trigonal planar geometry to one C(1), one C(55), and one C(57) atom. The C(56)-C(57) bond length is 1.35 Å. In the forty-seventh C site, C(57) is bonded in a trigonal planar geometry to one C(56), one C(58), and one C(64) atom. The C(57)-C(58) bond length is 1.44 Å. The C(57)-C(64) bond length is 1.46 Å. In the forty-eighth C site, C(58) is bonded in a trigonal planar geometry to one C(57), one C(59), and one C(63) atom. The C(58)-C(59) bond length is 1.53 Å. The C(58)-C(63) bond length is 1.46 Å. In the forty-ninth C site, C(59) is bonded in a trigonal planar geometry to one C(54), one C(58), and one C(60) atom. The C(59)-C(60) bond length is 1.44 Å. In the fiftieth C site, C(60) is bonded in a single-bond geometry to one C(59) and one H(33) atom. The C(60)-H(33) bond length is 0.93 Å. In the fifty-first C site, C(63) is bonded in a distorted single-bond geometry to one C(58) and one H(36) atom. The C(63)-H(36) bond length is 0.93 Å. In the fifty-second C site, C(64) is bonded in a trigonal planar geometry to one C(57), one C(65), and one C(69) atom. The C(64)-C(65) bond length is 1.47 Å. The C(64)-C(69) bond length is 1.37 Å. In the fifty-third C site, C(65) is bonded in a trigonal planar geometry to one C(64), one C(66), and one C(77) atom. The C(65)-C(66) bond length is 1.39 Å. The C(65)-C(77) bond length is 1.53 Å. In the fifty-fourth C site, C(66) is bonded in a trigonal planar geometry to one C(65), one C(67), and one C(74) atom. The C(66)-C(67) bond length is 1.38 Å. The C(66)-C(74) bond length is 1.41 Å. In the fifty-fifth C site, C(67) is bonded in a trigonal planar geometry to one C(66), one C(68), and one C(78) atom. The C(67)-C(68) bond length is 1.43 Å. The C(67)-C(78) bond length is 1.59 Å. In the fifty-sixth C site, C(68) is bonded in a trigonal planar geometry to one C(67), one C(69), and one C(73) atom. The C(68)-C(69) bond length is 1.48 Å. The C(68)-C(73) bond length is 1.29 Å. In the fifty-seventh C site, C(69) is bonded in a trigonal planar geometry to one C(64), one C(68), and one C(70) atom. The C(69)-C(70) bond length is 1.46 Å. In the fifty-eighth C site, C(70) is bonded in a distorted single-bond geometry to one C(69) and one H(37) atom. The C(70)-H(37) bond length is 0.93 Å. In the fifty-ninth C site, C(73) is bonded in a distorted single-bond geometry to one C(68) and one H(40) atom. The C(73)-H(40) bond length is 0.93 Å. In the sixtieth C site, C(74) is bonded in a distorted single-bond geometry to one C(66) and one H(41) atom. The C(74)-H(41) bond length is 0.93 Å. In the sixty-first C site, C(77) is bonded in a distorted single-bond geometry to one C(65) and one H(44) atom. The C(77)-H(44) bond length is 0.93 Å. In the sixty-second C site, C(78) is bonded in a trigonal planar geometry to one C(67), one C(79), and one C(83) atom. The C(78)-C(79) bond length is 1.34 Å. The C(78)-C(83) bond length is 1.34 Å. In the sixty-third C site, C(79) is bonded in a distorted single-bond geometry to one C(78), one C(80), and one H(45) atom. The C(79)-C(80) bond length is 1.43 Å. The C(79)-H(45) bond length is 0.93 Å. In the sixty-fourth C site, C(80) is bonded in a distorted trigonal planar geometry to one C(79), one C(81), and one H(46) atom. The C(80)-C(81) bond length is 1.34 Å. The C(80)-H(46) bond length is 0.93 Å. In the sixty-fifth C site, C(81) is bonded in a trigonal planar geometry to one C(80), one C(82), and one C(84) atom. The C(81)-C(82) bond length is 1.40 Å. The C(81)-C(84) bond length is 1.53 Å. In the sixty-sixth C site, C(82) is bonded in a distorted single-bond geometry to one C(81) and one H(47) atom. The C(82)-H(47) bond length is 0.93 Å. In the sixty-seventh C site, C(83) is bonded in a distorted single-bond geometry to one C(78) and one H(48) atom. The C(83)-H(48) bond length is 0.93 Å. In the sixty-eighth C site, C(84) is bonded in a bent 120 degrees geometry to one C(81), one O(5), and one O(6) atom. The C(84)-O(5) bond length is 1.21 Å. The C(84)-O(6) bond length is 1.28 Å. There are thirty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(25) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(21) is bonded in a single-bond geometry to one C(39) atom. In the sixteenth H site, H(24) is bonded in a single-bond geometry to one C(42) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(43) atom. In the eighteenth H site, H(28) is bonded in a single-bond geometry to one C(46) atom. In the nineteenth H site, H(29) is bonded in a single-bond geometry to one C(48) atom. In the twentieth H site, H(30) is bonded in a single-bond geometry to one C(49) atom. In the twenty-first H site, H(31) is bonded in a single-bond geometry to one C(51) atom. In the twenty-second H site, H(32) is bonded in a single-bond geometry to one C(52) atom. In the twenty-third H site, H(33) is bonded in a single-bond geometry to one C(60) atom. In the twenty-fourth H site, H(36) is bonded in a single-bond geometry to one C(63) atom. In the twenty-fifth H site, H(37) is bonded in a single-bond geometry to one C(70) atom. In the twenty-sixth H site, H(40) is bonded in a single-bond geometry to one C(73) atom. In the twenty-seventh H site, H(41) is bonded in a single-bond geometry to one C(74) atom. In the twenty-eighth H site, H(44) is bonded in a single-bond geometry to one C(77) atom. In the twenty-ninth H site, H(45) is bonded in a single-bond geometry to one C(79) atom. In the thirtieth H site, H(46) is bonded in a single-bond geometry to one C(80) atom. In the thirty-first H site, H(47) is bonded in a single-bond geometry to one C(82) atom. In the thirty-second H site, H(48) is bonded in a single-bond geometry to one C(83) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Tb(1) and one C(12) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tb(2) and one C(12) atom. In the third O site, O(3) is bonded in a linear geometry to one Tb(1) and one C(53) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Tb(1) and one C(53) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tb(2) and one C(84) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Tb(1) and one C(84) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one C(11) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Tb(2) and one C(11) atom. Linkers: 32 [O]C(=O)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc(C([O])=O)cc4)c4ccccc34)c3ccccc23)cc1. Metal clusters: 24 [Tb]. The MOF has largest included sphere 9.86 A, density 1.09 g/cm3, surface area 4378.64 m2/g, accessible volume 0.40 cm3/g