Er2C61H34O18(CH)8 crystallizes in the orthorhombic Pna2_1 space group. The structure consists of thirty-two 02329_fluka molecules inside a Er2C61H34O18 framework. In the Er2C61H34O18 framework, there are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Er(1)-O(1) bond length is 2.33 Å. The Er(1)-O(2) bond length is 2.32 Å. The Er(1)-O(3) bond length is 2.43 Å. The Er(1)-O(4) bond length is 2.40 Å. The Er(1)-O(5) bond length is 2.30 Å. The Er(1)-O(6) bond length is 2.38 Å. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to one O(10), one O(18), one O(5), one O(7), one O(8), and one O(9) atom. The Er(2)-O(10) bond length is 2.37 Å. The Er(2)-O(18) bond length is 2.24 Å. The Er(2)-O(5) bond length is 2.68 Å. The Er(2)-O(7) bond length is 2.29 Å. The Er(2)-O(8) bond length is 2.30 Å. The Er(2)-O(9) bond length is 2.27 Å. There are sixty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(7) atom. The C(1)-C(4) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(7) bond length is 1.28 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(2), and one O(8) atom. The C(2)-C(5) bond length is 1.52 Å. The C(2)-O(2) bond length is 1.22 Å. The C(2)-O(8) bond length is 1.30 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(3)-C(6) bond length is 1.48 Å. The C(3)-O(3) bond length is 1.25 Å. The C(3)-O(4) bond length is 1.31 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), 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 1.42 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(9) atom. The C(5)-C(10) bond length is 1.44 Å. The C(5)-C(9) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(3) atom. The C(6)-C(11) bond length is 1.39 Å. The C(6)-C(12) bond length is 1.44 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(14), one C(4), and one H(1) atom. The C(7)-C(14) bond length is 1.37 Å. The C(7)-H(1) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(15), one C(4), and one O(11) atom. The C(8)-C(15) bond length is 1.38 Å. The C(8)-O(11) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(16), one C(5), and one H(2) atom. The C(9)-C(16) bond length is 1.44 Å. The C(9)-H(2) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(17), one C(5), and one O(12) atom. The C(10)-C(17) bond length is 1.39 Å. The C(10)-O(12) bond length is 1.36 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(18), one C(6), and one H(3) atom. The C(11)-C(18) bond length is 1.44 Å. The C(11)-H(3) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(19), one C(6), and one O(13) atom. The C(12)-C(19) bond length is 1.38 Å. The C(12)-O(13) bond length is 1.35 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(14), and one O(9) atom. The C(13)-C(20) bond length is 1.51 Å. The C(13)-O(14) bond length is 1.21 Å. The C(13)-O(9) bond length is 1.28 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(21), one C(22), and one C(7) atom. The C(14)-C(21) bond length is 1.42 Å. The C(14)-C(22) bond length is 1.42 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(22), one C(23), and one C(8) atom. The C(15)-C(22) bond length is 1.40 Å. The C(15)-C(23) bond length is 1.54 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(24), one C(25), and one C(9) atom. The C(16)-C(24) bond length is 1.38 Å. The C(16)-C(25) bond length is 1.42 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(10), one C(25), and one C(26) atom. The C(17)-C(25) bond length is 1.45 Å. The C(17)-C(26) bond length is 1.51 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(11), one C(27), and one C(28) atom. The C(18)-C(27) bond length is 1.42 Å. The C(18)-C(28) bond length is 1.39 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(12), one C(27), and one C(29) atom. The C(19)-C(27) bond length is 1.42 Å. The C(19)-C(29) bond length is 1.52 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(13), one C(30), and one C(31) atom. The C(20)-C(30) bond length is 1.37 Å. The C(20)-C(31) bond length is 1.42 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(21)-H(7) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(14), one C(15), and one C(33) atom. The C(22)-C(33) bond length is 1.42 Å. In the twenty-third C site, C(23) is bonded in a water-like geometry to one C(15), one C(34), one H(8), and one H(9) atom. The C(23)-C(34) bond length is 1.51 Å. The C(23)-H(8) bond length is 0.97 Å. The C(23)-H(9) bond length is 0.97 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(16) and one H(10) atom. The C(24)-H(10) bond length is 0.93 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(36) atom. The C(25)-C(36) bond length is 1.42 Å. In the twenty-sixth C site, C(26) is bonded in a water-like geometry to one C(17); one C(37); and two equivalent H(11,12) atoms. The C(26)-C(37) bond length is 1.53 Å. Both C(26)-H(11,12) bond lengths are 0.97 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(38) atom. The C(27)-C(38) bond length is 1.42 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(18) and one H(13) atom. The C(28)-H(13) bond length is 0.93 Å. In the twenty-ninth C site, C(29) is bonded in a water-like geometry to one C(19); one C(40); and two equivalent H(14,15) atoms. The C(29)-C(40) bond length is 1.53 Å. Both C(29)-H(14,15) bond lengths are 0.97 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(20), one C(41), and one H(16) atom. The C(30)-C(41) bond length is 1.42 Å. The C(30)-H(16) bond length is 0.93 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(20), one C(40), and one O(15) atom. The C(31)-C(40) bond length is 1.40 Å. The C(31)-O(15) bond length is 1.35 Å. In the thirty-second C site, C(33) is bonded in a distorted single-bond geometry to one C(22) and one H(18) atom. The C(33)-H(18) bond length is 0.93 Å. In the thirty-third C site, C(34) is bonded in a trigonal planar geometry to one C(23), one C(43), and one C(44) atom. The C(34)-C(43) bond length is 1.41 Å. The C(34)-C(44) bond length is 1.41 Å. In the thirty-fourth C site, C(36) is bonded in a distorted single-bond geometry to one C(25) and one H(20) atom. The C(36)-H(20) bond length is 0.93 Å. In the thirty-fifth C site, C(37) is bonded in a trigonal planar geometry to one C(26), one C(46), and one C(47) atom. The C(37)-C(46) bond length is 1.39 Å. The C(37)-C(47) bond length is 1.39 Å. In the thirty-sixth C site, C(38) is bonded in a distorted single-bond geometry to one C(27) and one H(21) atom. The C(38)-H(21) bond length is 0.93 Å. In the thirty-seventh C site, C(40) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(49) atom. The C(40)-C(49) bond length is 1.40 Å. In the thirty-eighth C site, C(41) is bonded in a trigonal planar geometry to one C(30), one C(49), and one C(50) atom. The C(41)-C(49) bond length is 1.42 Å. The C(41)-C(50) bond length is 1.41 Å. In the thirty-ninth C site, C(43) is bonded in a trigonal planar geometry to one C(34), one C(51), and one C(52) atom. The C(43)-C(51) bond length is 1.41 Å. The C(43)-C(52) bond length is 1.42 Å. In the fortieth C site, C(44) is bonded in a distorted single-bond geometry to one C(34), one C(53), and one O(16) atom. The C(44)-C(53) bond length is 1.45 Å. The C(44)-O(16) bond length is 1.33 Å. In the forty-first C site, C(46) is bonded in a trigonal planar geometry to one C(37), one C(54), and one C(55) atom. The C(46)-C(54) bond length is 1.44 Å. The C(46)-C(55) bond length is 1.43 Å. In the forty-second C site, C(47) is bonded in a distorted single-bond geometry to one C(37), one C(56), and one O(17) atom. The C(47)-C(56) bond length is 1.40 Å. The C(47)-O(17) bond length is 1.37 Å. In the forty-third C site, C(49) is bonded in a trigonal planar geometry to one C(40), one C(41), and one C(57) atom. The C(49)-C(57) bond length is 1.43 Å. In the forty-fourth C site, C(50) is bonded in a distorted single-bond geometry to one C(41) and one H(27) atom. The C(50)-H(27) bond length is 0.93 Å. In the forty-fifth C site, C(51) is bonded in a distorted single-bond geometry to one C(43) and one H(28) atom. The C(51)-H(28) bond length is 0.93 Å. In the forty-sixth C site, C(52) is bonded in a trigonal planar geometry to one C(43), one C(60), and one C(61) atom. The C(52)-C(60) bond length is 1.43 Å. The C(52)-C(61) bond length is 1.42 Å. In the forty-seventh C site, C(53) is bonded in a trigonal planar geometry to one C(44), one C(61), and one C(62) atom. The C(53)-C(61) bond length is 1.34 Å. The C(53)-C(62) bond length is 1.46 Å. In the forty-eighth C site, C(54) is bonded in a single-bond geometry to one C(46) and one H(30) atom. The C(54)-H(30) bond length is 0.93 Å. In the forty-ninth C site, C(55) is bonded in a trigonal planar geometry to one C(46), one C(64), and one C(65) atom. The C(55)-C(64) bond length is 1.39 Å. The C(55)-C(65) bond length is 1.40 Å. In the fiftieth C site, C(56) is bonded in a trigonal planar geometry to one C(47), one C(65), and one C(66) atom. The C(56)-C(65) bond length is 1.37 Å. The C(56)-C(66) bond length is 1.50 Å. In the fifty-first C site, C(57) is bonded in a distorted single-bond geometry to one C(49) and one H(32) atom. The C(57)-H(32) bond length is 0.93 Å. In the fifty-second C site, C(59) is bonded in a distorted single-bond geometry to one C(68) and one H(34) atom. The C(59)-C(68) bond length is 1.38 Å. The C(59)-H(34) bond length is 0.93 Å. In the fifty-third C site, C(60) is bonded in a distorted single-bond geometry to one C(52), one C(68), and one H(35) atom. The C(60)-C(68) bond length is 1.34 Å. The C(60)-H(35) bond length is 0.93 Å. In the fifty-fourth C site, C(61) is bonded in a distorted single-bond geometry to one C(52), one C(53), and one H(36) atom. The C(61)-H(36) bond length is 0.93 Å. In the fifty-fifth C site, C(62) is bonded in a bent 120 degrees geometry to one C(53), one O(10), and one O(5) atom. The C(62)-O(10) bond length is 1.28 Å. The C(62)-O(5) bond length is 1.28 Å. In the fifty-sixth C site, C(63) is bonded in a distorted single-bond geometry to one C(69) and one H(37) atom. The C(63)-C(69) bond length is 1.42 Å. The C(63)-H(37) bond length is 0.93 Å. In the fifty-seventh C site, C(64) is bonded in a distorted single-bond geometry to one C(55), one C(69), and one H(38) atom. The C(64)-C(69) bond length is 1.40 Å. The C(64)-H(38) bond length is 0.93 Å. In the fifty-eighth C site, C(65) is bonded in a distorted single-bond geometry to one C(55), one C(56), and one H(39) atom. The C(65)-H(39) bond length is 0.93 Å. In the fifty-ninth C site, C(66) is bonded in a bent 120 degrees geometry to one C(56), one O(18), and one O(6) atom. The C(66)-O(18) bond length is 1.26 Å. The C(66)-O(6) bond length is 1.26 Å. In the sixtieth C site, C(68) is bonded in a distorted trigonal planar geometry to one C(59), one C(60), and one H(41) atom. The C(68)-H(41) bond length is 0.93 Å. In the sixty-first C site, C(69) is bonded in a distorted trigonal planar geometry to one C(63), one C(64), and one H(42) atom. The C(69)-H(42) bond length is 0.93 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(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. The H(4)-O(11) bond length is 0.82 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. The H(5)-O(12) bond length is 0.82 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. The H(6)-O(13) bond length is 0.82 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(23) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(11,12) is bonded in a single-bond geometry to one C(26) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth H site, H(14,15) is bonded in a single-bond geometry to one C(29) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(30) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(33) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(36) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(38) atom. In the eighteenth H site, H(23) is bonded in a single-bond geometry to one O(15) atom. The H(23)-O(15) bond length is 0.82 Å. In the nineteenth H site, H(27) is bonded in a single-bond geometry to one C(50) atom. In the twentieth H site, H(28) is bonded in a single-bond geometry to one C(51) atom. In the twenty-first H site, H(29) is bonded in a single-bond geometry to one O(16) atom. The H(29)-O(16) bond length is 0.82 Å. In the twenty-second H site, H(30) is bonded in a single-bond geometry to one C(54) atom. In the twenty-third H site, H(31) is bonded in a single-bond geometry to one O(17) atom. The H(31)-O(17) bond length is 0.82 Å. In the twenty-fourth H site, H(32) is bonded in a single-bond geometry to one C(57) atom. In the twenty-fifth H site, H(34) is bonded in a single-bond geometry to one C(59) atom. In the twenty-sixth H site, H(35) is bonded in a single-bond geometry to one C(60) atom. In the twenty-seventh H site, H(36) is bonded in a single-bond geometry to one C(61) atom. In the twenty-eighth H site, H(37) is bonded in a single-bond geometry to one C(63) atom. In the twenty-ninth H site, H(38) is bonded in a single-bond geometry to one C(64) atom. In the thirtieth H site, H(39) is bonded in a single-bond geometry to one C(65) atom. In the thirty-first H site, H(41) is bonded in a single-bond geometry to one C(68) atom. In the thirty-second H site, H(42) is bonded in a single-bond geometry to one C(69) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Er(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Er(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Er(1) and one C(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one C(62) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Er(1) and one C(66) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one C(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Er(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one C(13) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Er(2) and one C(62) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one C(8) and one H(4) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one C(10) and one H(5) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one C(12) and one H(6) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one C(13) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one C(31) and one H(23) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one C(44) and one H(29) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one C(47) and one H(31) atom. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to one Er(2) and one C(66) atom. Linkers: 12 [O]C(=O)c1cc2ccccc2c(Cc2c(O)c(C([O])=O)cc3ccccc23)c1O. Metal clusters: 4 O=[C]O[Er]123O[C]O[Er]4(O[C]O1)(O[C]O2)(O[C]O3)O[C]O4. RCSR code: rob. The MOF has largest included sphere 6.60 A, density 1.18 g/cm3, surface area 3918.35 m2/g, accessible volume 0.43 cm3/g