Yb4C57H18(O4F3)6 crystallizes in the triclinic P-1 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(2), one O(23), and one O(9) atom. The Yb(1)-O(1) bond length is 2.34 Å. The Yb(1)-O(13) bond length is 2.24 Å. The Yb(1)-O(2) bond length is 2.62 Å. The Yb(1)-O(23) bond length is 2.24 Å. The Yb(1)-O(9) bond length is 2.26 Å. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(15), one O(16), one O(2), one O(4), and two equivalent O(3) atoms. The Yb(2)-O(10) bond length is 2.26 Å. The Yb(2)-O(14) bond length is 2.30 Å. The Yb(2)-O(15) bond length is 2.43 Å. The Yb(2)-O(16) bond length is 2.38 Å. The Yb(2)-O(2) bond length is 2.42 Å. The Yb(2)-O(4) bond length is 2.37 Å. There is one shorter (2.32 Å) and one longer (2.55 Å) Yb(2)-O(3) bond length. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(21), one O(5), and one O(6) atom. The Yb(3)-O(11) bond length is 2.22 Å. The Yb(3)-O(17) bond length is 2.27 Å. The Yb(3)-O(21) bond length is 2.28 Å. The Yb(3)-O(5) bond length is 2.49 Å. The Yb(3)-O(6) bond length is 2.39 Å. In the fourth Yb site, Yb(4) is bonded in a distorted pentagonal pyramidal geometry to one O(18), one O(19), one O(20), one O(22), one O(5), and one O(7) atom. The Yb(4)-O(18) bond length is 2.30 Å. The Yb(4)-O(19) bond length is 2.38 Å. The Yb(4)-O(20) bond length is 2.41 Å. The Yb(4)-O(22) bond length is 2.20 Å. The Yb(4)-O(5) bond length is 2.38 Å. The Yb(4)-O(7) bond length is 2.24 Å. There are fifty-seven inequivalent C sites. In the first C site, C(1) is bonded in a tetrahedral geometry to one C(10), one C(18), one C(19), and one C(2) atom. The C(1)-C(10) bond length is 1.55 Å. The C(1)-C(18) bond length is 1.54 Å. The C(1)-C(19) bond length is 1.56 Å. The C(1)-C(2) bond length is 1.52 Å. In the second 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 1.41 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(8) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(8) bond length is 1.49 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(9) bond length is 1.47 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(6)-H(2) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(3,15) atom. The C(7)-H(3,15) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(8)-O(1) bond length is 1.26 Å. The C(8)-O(2) bond length is 1.26 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(9)-O(3) bond length is 1.27 Å. The C(9)-O(4) bond length is 1.26 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(15) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(15) bond length is 1.37 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(4) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(4) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(16) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(16) bond length is 1.48 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(17) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(17) bond length is 1.50 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(5) atom. The C(14)-H(5) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(10) and one H(6) atom. The C(15)-H(6) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(5), and one O(6) atom. The C(16)-O(5) bond length is 1.27 Å. The C(16)-O(6) bond length is 1.27 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(17)-O(7) bond length is 1.27 Å. The C(17)-O(8) bond length is 1.25 Å. In the eighteenth C site, C(18) is bonded in a trigonal non-coplanar geometry to one C(1), one F(1), one F(2), and one F(3) atom. The C(18)-F(1) bond length is 1.33 Å. The C(18)-F(2) bond length is 1.37 Å. The C(18)-F(3) bond length is 1.33 Å. In the nineteenth C site, C(19) is bonded in a trigonal non-coplanar geometry to one C(1), one F(4), one F(5), and one F(6) atom. The C(19)-F(4) bond length is 1.35 Å. The C(19)-F(5) bond length is 1.33 Å. The C(19)-F(6) bond length is 1.33 Å. In the twentieth C site, C(20) is bonded in a tetrahedral geometry to one C(21), one C(29), one C(37), and one C(38) atom. The C(20)-C(21) bond length is 1.54 Å. The C(20)-C(29) bond length is 1.54 Å. The C(20)-C(37) bond length is 1.56 Å. The C(20)-C(38) bond length is 1.54 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(26) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(26) bond length is 1.39 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(7) atom. The C(22)-C(23) bond length is 1.38 Å. The C(22)-H(7) bond length is 0.93 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(27) atom. The C(23)-C(24) bond length is 1.41 Å. The C(23)-C(27) bond length is 1.52 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(28) atom. The C(24)-C(25) bond length is 1.37 Å. The C(24)-C(28) bond length is 1.51 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(24) and one H(8) atom. The C(25)-H(8) bond length is 0.93 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(21) and one H(9) atom. The C(26)-H(9) bond length is 0.93 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(10), and one O(9) atom. The C(27)-O(10) bond length is 1.26 Å. The C(27)-O(9) bond length is 1.26 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(11), and one O(12) atom. The C(28)-O(11) bond length is 1.29 Å. The C(28)-O(12) bond length is 1.26 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(20), one C(30), and one C(34) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-C(34) bond length is 1.40 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(29), one C(31), and one H(10) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-H(10) bond length is 0.93 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(35) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-C(35) bond length is 1.50 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(36) atom. The C(32)-C(33) bond length is 1.40 Å. The C(32)-C(36) bond length is 1.48 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(32) and one H(11) atom. The C(33)-H(11) bond length is 0.93 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(29) and one H(12) atom. The C(34)-H(12) bond length is 0.93 Å. In the thirty-fifth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(13), and one O(14) atom. The C(35)-O(13) bond length is 1.29 Å. The C(35)-O(14) bond length is 1.25 Å. In the thirty-sixth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(15), and one O(16) atom. The C(36)-O(15) bond length is 1.27 Å. The C(36)-O(16) bond length is 1.27 Å. In the thirty-seventh C site, C(37) is bonded in a trigonal non-coplanar geometry to one C(20), one F(7), one F(8), and one F(9) atom. The C(37)-F(7) bond length is 1.32 Å. The C(37)-F(8) bond length is 1.34 Å. The C(37)-F(9) bond length is 1.34 Å. In the thirty-eighth C site, C(38) is bonded in a trigonal non-coplanar geometry to one C(20), one F(10), one F(11), and one F(12) atom. The C(38)-F(10) bond length is 1.33 Å. The C(38)-F(11) bond length is 1.33 Å. The C(38)-F(12) bond length is 1.34 Å. In the thirty-ninth C site, C(39) is bonded in a tetrahedral geometry to one C(40), one C(48), one C(56), and one C(57) atom. The C(39)-C(40) bond length is 1.54 Å. The C(39)-C(48) bond length is 1.55 Å. The C(39)-C(56) bond length is 1.55 Å. The C(39)-C(57) bond length is 1.56 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(45) atom. The C(40)-C(41) bond length is 1.39 Å. The C(40)-C(45) bond length is 1.39 Å. In the forty-first C site, C(41) is bonded in a distorted single-bond geometry to one C(40), one C(42), and one H(13) atom. The C(41)-C(42) bond length is 1.38 Å. The C(41)-H(13) bond length is 0.93 Å. In the forty-second C site, C(42) is bonded in a trigonal planar geometry to one C(41), one C(43), and one C(46) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-C(46) bond length is 1.51 Å. In the forty-third C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(47) atom. The C(43)-C(44) bond length is 1.41 Å. The C(43)-C(47) bond length is 1.49 Å. In the forty-fourth C site, C(44) is bonded in a distorted single-bond geometry to one C(43) and one H(14) atom. The C(44)-H(14) bond length is 0.93 Å. In the forty-fifth C site, C(45) is bonded in a distorted single-bond geometry to one C(40) and one H(3,15) atom. The C(45)-H(3,15) bond length is 0.93 Å. In the forty-sixth C site, C(46) is bonded in a distorted bent 120 degrees geometry to one C(42), one O(17), and one O(18) atom. The C(46)-O(17) bond length is 1.25 Å. The C(46)-O(18) bond length is 1.28 Å. In the forty-seventh C site, C(47) is bonded in a distorted bent 120 degrees geometry to one C(43), one O(19), and one O(20) atom. The C(47)-O(19) bond length is 1.27 Å. The C(47)-O(20) bond length is 1.28 Å. In the forty-eighth C site, C(48) is bonded in a trigonal planar geometry to one C(39), one C(49), and one C(53) atom. The C(48)-C(49) bond length is 1.40 Å. The C(48)-C(53) bond length is 1.39 Å. In the forty-ninth C site, C(49) is bonded in a distorted single-bond geometry to one C(48), one C(50), and one H(16) atom. The C(49)-C(50) bond length is 1.38 Å. The C(49)-H(16) bond length is 0.93 Å. In the fiftieth C site, C(50) is bonded in a trigonal planar geometry to one C(49), one C(51), and one C(54) atom. The C(50)-C(51) bond length is 1.41 Å. The C(50)-C(54) bond length is 1.51 Å. In the fifty-first C site, C(51) is bonded in a trigonal planar geometry to one C(50), one C(52), and one C(55) atom. The C(51)-C(52) bond length is 1.36 Å. The C(51)-C(55) bond length is 1.55 Å. In the fifty-second C site, C(52) is bonded in a distorted single-bond geometry to one C(51) and one H(17) atom. The C(52)-H(17) bond length is 0.93 Å. In the fifty-third C site, C(53) is bonded in a distorted single-bond geometry to one C(48) and one H(18) atom. The C(53)-H(18) bond length is 0.93 Å. In the fifty-fourth C site, C(54) is bonded in a distorted bent 120 degrees geometry to one C(50), one O(21), and one O(22) atom. The C(54)-O(21) bond length is 1.25 Å. The C(54)-O(22) bond length is 1.26 Å. In the fifty-fifth C site, C(55) is bonded in a distorted bent 120 degrees geometry to one C(51), one O(23), and one O(24) atom. The C(55)-O(23) bond length is 1.26 Å. The C(55)-O(24) bond length is 1.25 Å. In the fifty-sixth C site, C(56) is bonded in a trigonal non-coplanar geometry to one C(39), one F(13), one F(14), and one F(15) atom. The C(56)-F(13) bond length is 1.33 Å. The C(56)-F(14) bond length is 1.33 Å. The C(56)-F(15) bond length is 1.33 Å. In the fifty-seventh C site, C(57) is bonded in a trigonal non-coplanar geometry to one C(39), one F(16), one F(17), and one F(18) atom. The C(57)-F(16) bond length is 1.36 Å. The C(57)-F(17) bond length is 1.33 Å. The C(57)-F(18) bond length is 1.33 Å. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3,15) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(22) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(25) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(26) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(30) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(33) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(34) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(41) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(44) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(49) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(52) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(53) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Yb(1) and one C(8) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Yb(1), one Yb(2), and one C(8) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Yb(2) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Yb(2) and one C(9) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Yb(3), one Yb(4), and one C(16) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Yb(3) and one C(16) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Yb(4) and one C(17) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(17) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one C(27) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one C(27) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Yb(3) and one C(28) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one C(35) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Yb(2) and one C(35) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Yb(2) and one C(36) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Yb(2) and one C(36) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Yb(3) and one C(46) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Yb(4) and one C(46) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one Yb(4) and one C(47) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Yb(4) and one C(47) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Yb(3) and one C(54) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Yb(4) and one C(54) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one C(55) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one C(55) atom. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(18) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(18) atom. In the third F site, F(3) is bonded in a single-bond geometry to one C(18) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one C(19) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one C(19) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one C(19) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one C(37) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one C(37) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one C(37) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one C(38) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one C(38) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one C(38) atom. In the thirteenth F site, F(13) is bonded in a single-bond geometry to one C(56) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one C(56) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one C(56) atom. In the sixteenth F site, F(16) is bonded in a single-bond geometry to one C(57) atom. In the seventeenth F site, F(17) is bonded in a single-bond geometry to one C(57) atom. In the eighteenth F site, F(18) is bonded in a single-bond geometry to one C(57) atom. Linkers: 6 [O]C(=O)c1ccc(C(c2ccc(C([O])=O)c(C([O])=O)c2)(C(F)(F)F)C(F)(F)F)cc1C([O])=O. Metal clusters: 1 O=[C]O[Yb]12O[C]O[Yb]3(O[C]=O)(O[C]O1)(O[C]O2)O[C]O[Yb]12(O[C]=O)(O[C]O[Yb](O[C]=O)(O[C]O1)O[C]O2)O[C]O3 ,2 O=[C]O[Yb]12O[C]O[Yb]3(O[C]=O)(O[C]O1)(O[C]O2)O[C]O3. The MOF has largest included sphere 7.40 A, density 1.86 g/cm3, surface area 2748.33 m2/g, accessible volume 0.24 cm3/g