ScH6(C2O)6(CH4)3 crystallizes in the triclinic P1 space group. The structure consists of thirty-six 02329_fluka molecules inside a ScH6(C2O)6 framework. In the ScH6(C2O)6 framework, there are twelve inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to one O(1), one O(27), one O(39), one O(45), one O(49), and one O(69) atom. The Sc(1)-O(1) bond length is 2.10 Å. The Sc(1)-O(27) bond length is 2.08 Å. The Sc(1)-O(39) bond length is 2.09 Å. The Sc(1)-O(45) bond length is 2.14 Å. The Sc(1)-O(49) bond length is 2.11 Å. The Sc(1)-O(69) bond length is 2.10 Å. In the second Sc site, Sc(2) is bonded in an octahedral geometry to one O(2), one O(28), one O(40), one O(46), one O(50), and one O(70) atom. The Sc(2)-O(2) bond length is 2.09 Å. The Sc(2)-O(28) bond length is 2.08 Å. The Sc(2)-O(40) bond length is 2.09 Å. The Sc(2)-O(46) bond length is 2.14 Å. The Sc(2)-O(50) bond length is 2.11 Å. The Sc(2)-O(70) bond length is 2.10 Å. In the third Sc site, Sc(3) is bonded in an octahedral geometry to one O(25), one O(3), one O(37), one O(47), one O(51), and one O(71) atom. The Sc(3)-O(25) bond length is 2.08 Å. The Sc(3)-O(3) bond length is 2.10 Å. The Sc(3)-O(37) bond length is 2.09 Å. The Sc(3)-O(47) bond length is 2.14 Å. The Sc(3)-O(51) bond length is 2.11 Å. The Sc(3)-O(71) bond length is 2.10 Å. In the fourth Sc site, Sc(4) is bonded in an octahedral geometry to one O(26), one O(38), one O(4), one O(48), one O(52), and one O(72) atom. The Sc(4)-O(26) bond length is 2.08 Å. The Sc(4)-O(38) bond length is 2.09 Å. The Sc(4)-O(4) bond length is 2.10 Å. The Sc(4)-O(48) bond length is 2.14 Å. The Sc(4)-O(52) bond length is 2.11 Å. The Sc(4)-O(72) bond length is 2.10 Å. In the fifth Sc site, Sc(5) is bonded in an octahedral geometry to one O(31), one O(35), one O(41), one O(5), one O(53), and one O(65) atom. The Sc(5)-O(31) bond length is 2.12 Å. The Sc(5)-O(35) bond length is 2.13 Å. The Sc(5)-O(41) bond length is 2.07 Å. The Sc(5)-O(5) bond length is 2.09 Å. The Sc(5)-O(53) bond length is 2.09 Å. The Sc(5)-O(65) bond length is 2.11 Å. In the sixth Sc site, Sc(6) is bonded in an octahedral geometry to one O(32), one O(36), one O(42), one O(54), one O(6), and one O(66) atom. The Sc(6)-O(32) bond length is 2.12 Å. The Sc(6)-O(36) bond length is 2.13 Å. The Sc(6)-O(42) bond length is 2.07 Å. The Sc(6)-O(54) bond length is 2.09 Å. The Sc(6)-O(6) bond length is 2.09 Å. The Sc(6)-O(66) bond length is 2.11 Å. In the seventh Sc site, Sc(7) is bonded in an octahedral geometry to one O(29), one O(33), one O(43), one O(55), one O(67), and one O(7) atom. The Sc(7)-O(29) bond length is 2.12 Å. The Sc(7)-O(33) bond length is 2.13 Å. The Sc(7)-O(43) bond length is 2.07 Å. The Sc(7)-O(55) bond length is 2.09 Å. The Sc(7)-O(67) bond length is 2.11 Å. The Sc(7)-O(7) bond length is 2.09 Å. In the eighth Sc site, Sc(8) is bonded in an octahedral geometry to one O(30), one O(34), one O(44), one O(56), one O(68), and one O(8) atom. The Sc(8)-O(30) bond length is 2.12 Å. The Sc(8)-O(34) bond length is 2.13 Å. The Sc(8)-O(44) bond length is 2.07 Å. The Sc(8)-O(56) bond length is 2.09 Å. The Sc(8)-O(68) bond length is 2.11 Å. The Sc(8)-O(8) bond length is 2.09 Å. In the ninth Sc site, Sc(9) is bonded in an octahedral geometry to one O(13), one O(14), one O(17), one O(18), one O(59), and one O(60) atom. The Sc(9)-O(13) bond length is 2.09 Å. The Sc(9)-O(14) bond length is 2.09 Å. The Sc(9)-O(17) bond length is 2.13 Å. The Sc(9)-O(18) bond length is 2.13 Å. The Sc(9)-O(59) bond length is 2.08 Å. The Sc(9)-O(60) bond length is 2.08 Å. In the tenth Sc site, Sc(10) is bonded in an octahedral geometry to one O(15), one O(16), one O(19), one O(20), one O(57), and one O(58) atom. The Sc(10)-O(15) bond length is 2.09 Å. The Sc(10)-O(16) bond length is 2.09 Å. The Sc(10)-O(19) bond length is 2.13 Å. The Sc(10)-O(20) bond length is 2.13 Å. The Sc(10)-O(57) bond length is 2.08 Å. The Sc(10)-O(58) bond length is 2.08 Å. In the eleventh Sc site, Sc(11) is bonded in an octahedral geometry to one O(10), one O(21), one O(22), one O(63), one O(64), and one O(9) atom. The Sc(11)-O(10) bond length is 2.11 Å. The Sc(11)-O(21) bond length is 2.07 Å. The Sc(11)-O(22) bond length is 2.07 Å. The Sc(11)-O(63) bond length is 2.13 Å. The Sc(11)-O(64) bond length is 2.13 Å. The Sc(11)-O(9) bond length is 2.11 Å. In the twelfth Sc site, Sc(12) is bonded in an octahedral geometry to one O(11), one O(12), one O(23), one O(24), one O(61), and one O(62) atom. The Sc(12)-O(11) bond length is 2.11 Å. The Sc(12)-O(12) bond length is 2.11 Å. The Sc(12)-O(23) bond length is 2.07 Å. The Sc(12)-O(24) bond length is 2.07 Å. The Sc(12)-O(61) bond length is 2.13 Å. The Sc(12)-O(62) bond length is 2.13 Å. There are ninety inequivalent C sites. In the first C site, C(1,3) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(1), and one O(5) atom. The C(1,3)-C(25) bond length is 1.49 Å. The C(1,3)-O(1) bond length is 1.27 Å. The C(1,3)-O(5) bond length is 1.27 Å. In the second C site, C(2,4) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(2), and one O(6) atom. The C(2,4)-C(26) bond length is 1.49 Å. The C(2,4)-O(2) bond length is 1.27 Å. The C(2,4)-O(6) bond length is 1.27 Å. In the third C site, C(5,7) is bonded in a distorted single-bond geometry to one C(25) and one H(1,2,3,4) atom. The C(5,7)-C(25) bond length is 1.40 Å. The C(5,7)-H(1,2,3,4) bond length is 1.09 Å. In the fourth C site, C(6,8) is bonded in a distorted single-bond geometry to one C(26) and one H(1,2,3,4) atom. The C(6,8)-C(26) bond length is 1.40 Å. The C(6,8)-H(1,2,3,4) bond length is 1.09 Å. In the fifth C site, C(9,11,12) is bonded in a distorted single-bond geometry to one C(13) and one H(5,6,7,8) atom. The C(9,11,12)-C(13) bond length is 1.40 Å. The C(9,11,12)-H(5,6,7,8) bond length is 1.09 Å. In the sixth C site, C(10) is bonded in a distorted single-bond geometry to one C(14,15) and one H(5,6,7,8) atom. The C(10)-C(14,15) bond length is 1.40 Å. The C(10)-H(5,6,7,8) bond length is 1.09 Å. In the seventh C site, C(13) is bonded in a trigonal planar geometry to one C(17,19,20); one C(29); and one C(9,11,12) atom. The C(13)-C(17,19,20) bond length is 1.40 Å. The C(13)-C(29) bond length is 1.49 Å. In the eighth C site, C(14,15) is bonded in a trigonal planar geometry to one C(10), one C(18), and one C(30) atom. The C(14,15)-C(18) bond length is 1.40 Å. The C(14,15)-C(30) bond length is 1.49 Å. In the ninth C site, C(16) is bonded in a trigonal planar geometry to one C(17,19,20); one C(31,32); and one C(9,11,12) atom. The C(16)-C(17,19,20) bond length is 1.40 Å. The C(16)-C(31,32) bond length is 1.49 Å. The C(16)-C(9,11,12) bond length is 1.40 Å. In the tenth C site, C(17,19,20) is bonded in a distorted single-bond geometry to one C(13) and one H(9,10,11,12) atom. The C(17,19,20)-H(9,10,11,12) bond length is 1.09 Å. In the eleventh C site, C(18) is bonded in a distorted single-bond geometry to one C(14,15) and one H(9,10,11,12) atom. The C(18)-H(9,10,11,12) bond length is 1.09 Å. In the twelfth C site, C(21,23) is bonded in a distorted single-bond geometry to one C(25) and one H(13,14,15,16) atom. The C(21,23)-C(25) bond length is 1.40 Å. The C(21,23)-H(13,14,15,16) bond length is 1.09 Å. In the thirteenth C site, C(22,24) is bonded in a distorted single-bond geometry to one C(26) and one H(13,14,15,16) atom. The C(22,24)-C(26) bond length is 1.40 Å. The C(22,24)-H(13,14,15,16) bond length is 1.09 Å. In the fourteenth C site, C(25) is bonded in a trigonal planar geometry to one C(1,3); one C(21,23); and one C(5,7) atom. In the fifteenth C site, C(26) is bonded in a trigonal planar geometry to one C(2,4); one C(22,24); and one C(6,8) atom. In the sixteenth C site, C(27) is bonded in a trigonal planar geometry to one C(1,3); one C(21,23); and one C(5,7) atom. The C(27)-C(1,3) bond length is 1.49 Å. The C(27)-C(21,23) bond length is 1.40 Å. The C(27)-C(5,7) bond length is 1.40 Å. In the seventeenth C site, C(28) is bonded in a trigonal planar geometry to one C(2,4); one C(22,24); and one C(6,8) atom. The C(28)-C(2,4) bond length is 1.49 Å. The C(28)-C(22,24) bond length is 1.40 Å. The C(28)-C(6,8) bond length is 1.40 Å. In the eighteenth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(13), and one O(9) atom. The C(29)-O(13) bond length is 1.27 Å. The C(29)-O(9) bond length is 1.27 Å. In the nineteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(14,15); one O(10); and one O(14) atom. The C(30)-O(10) bond length is 1.27 Å. The C(30)-O(14) bond length is 1.27 Å. In the twentieth C site, C(31,32) is bonded in a distorted bent 120 degrees geometry to one C(14,15); one O(11); and one O(15) atom. The C(31,32)-C(14,15) bond length is 1.49 Å. The C(31,32)-O(11) bond length is 1.27 Å. The C(31,32)-O(15) bond length is 1.27 Å. In the twenty-first C site, C(33,36) is bonded in a distorted bent 120 degrees geometry to one C(49,50,52); one O(17); and one O(21) atom. The C(33,36)-C(49,50,52) bond length is 1.49 Å. The C(33,36)-O(17) bond length is 1.27 Å. The C(33,36)-O(21) bond length is 1.27 Å. In the twenty-second C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(49,50,52); one O(18); and one O(22) atom. The C(34)-C(49,50,52) bond length is 1.49 Å. The C(34)-O(18) bond length is 1.27 Å. The C(34)-O(22) bond length is 1.27 Å. In the twenty-third C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(51), one O(19), and one O(23) atom. The C(35)-C(51) bond length is 1.49 Å. The C(35)-O(19) bond length is 1.27 Å. The C(35)-O(23) bond length is 1.27 Å. In the twenty-fourth C site, C(37) is bonded in a trigonal planar geometry to one C(41), one C(57), and one C(61) atom. The C(37)-C(41) bond length is 1.40 Å. The C(37)-C(57) bond length is 1.40 Å. The C(37)-C(61) bond length is 1.49 Å. In the twenty-fifth C site, C(38) is bonded in a trigonal planar geometry to one C(42,43,44); one C(58,59,60); and one C(62) atom. The C(38)-C(42,43,44) bond length is 1.40 Å. The C(38)-C(58,59,60) bond length is 1.40 Å. The C(38)-C(62) bond length is 1.49 Å. In the twenty-sixth C site, C(39) is bonded in a trigonal planar geometry to one C(42,43,44); one C(58,59,60); and one C(63,64) atom. The C(39)-C(42,43,44) bond length is 1.40 Å. The C(39)-C(58,59,60) bond length is 1.40 Å. The C(39)-C(63,64) bond length is 1.49 Å. In the twenty-seventh C site, C(40) is bonded in a trigonal planar geometry to one C(42,43,44); one C(58,59,60); and one C(63,64) atom. The C(40)-C(42,43,44) bond length is 1.40 Å. The C(40)-C(58,59,60) bond length is 1.40 Å. The C(40)-C(63,64) bond length is 1.49 Å. In the twenty-eighth C site, C(41) is bonded in a distorted single-bond geometry to one C(37); one C(45,47,48); and one H(17,19,20) atom. The C(41)-C(45,47,48) bond length is 1.39 Å. The C(41)-H(17,19,20) bond length is 1.09 Å. In the twenty-ninth C site, C(42,43,44) is bonded in a distorted single-bond geometry to one C(38), one C(46), and one H(18) atom. The C(42,43,44)-C(46) bond length is 1.39 Å. The C(42,43,44)-H(18) bond length is 1.09 Å. In the thirtieth C site, C(45,47,48) is bonded in a distorted trigonal planar geometry to one C(41); one C(49,50,52); and one H(21,22,23,24) atom. The C(45,47,48)-C(49,50,52) bond length is 1.40 Å. The C(45,47,48)-H(21,22,23,24) bond length is 1.09 Å. In the thirty-first C site, C(46) is bonded in a distorted trigonal planar geometry to one C(42,43,44); one C(49,50,52); and one H(21,22,23,24) atom. The C(46)-C(49,50,52) bond length is 1.40 Å. The C(46)-H(21,22,23,24) bond length is 1.09 Å. In the thirty-second C site, C(49,50,52) is bonded in a trigonal planar geometry to one C(33,36); one C(45,47,48); and one C(53,55,56) atom. The C(49,50,52)-C(53,55,56) bond length is 1.40 Å. In the thirty-third C site, C(51) is bonded in a trigonal planar geometry to one C(35); one C(45,47,48); and one C(53,55,56) atom. The C(51)-C(45,47,48) bond length is 1.40 Å. The C(51)-C(53,55,56) bond length is 1.40 Å. In the thirty-fourth C site, C(53,55,56) is bonded in a distorted single-bond geometry to one C(49,50,52) and one H(25,26,27,28) atom. The C(53,55,56)-H(25,26,27,28) bond length is 1.09 Å. In the thirty-fifth C site, C(54) is bonded in a distorted single-bond geometry to one C(49,50,52) and one H(25,26,27,28) atom. The C(54)-C(49,50,52) bond length is 1.40 Å. The C(54)-H(25,26,27,28) bond length is 1.09 Å. In the thirty-sixth C site, C(57) is bonded in a distorted single-bond geometry to one C(37) and one H(29,30,31,32) atom. The C(57)-H(29,30,31,32) bond length is 1.09 Å. In the thirty-seventh C site, C(58,59,60) is bonded in a distorted single-bond geometry to one C(38) and one H(29,30,31,32) atom. The C(58,59,60)-H(29,30,31,32) bond length is 1.09 Å. In the thirty-eighth C site, C(61) is bonded in a distorted bent 120 degrees geometry to one C(37), one O(25), and one O(29) atom. The C(61)-O(25) bond length is 1.27 Å. The C(61)-O(29) bond length is 1.28 Å. In the thirty-ninth C site, C(62) is bonded in a distorted bent 120 degrees geometry to one C(38), one O(26), and one O(30) atom. The C(62)-O(26) bond length is 1.27 Å. The C(62)-O(30) bond length is 1.28 Å. In the fortieth C site, C(63,64) is bonded in a distorted bent 120 degrees geometry to one C(39), one O(27), and one O(31) atom. The C(63,64)-O(27) bond length is 1.27 Å. The C(63,64)-O(31) bond length is 1.28 Å. In the forty-first C site, C(65,66) is bonded in a distorted bent 120 degrees geometry to one C(85), one O(33), and one O(37) atom. The C(65,66)-C(85) bond length is 1.50 Å. The C(65,66)-O(33) bond length is 1.28 Å. The C(65,66)-O(37) bond length is 1.27 Å. In the forty-second C site, C(67) is bonded in a distorted bent 120 degrees geometry to one C(87), one O(35), and one O(39) atom. The C(67)-C(87) bond length is 1.50 Å. The C(67)-O(35) bond length is 1.28 Å. The C(67)-O(39) bond length is 1.27 Å. In the forty-third C site, C(68) is bonded in a distorted bent 120 degrees geometry to one C(88), one O(36), and one O(40) atom. The C(68)-C(88) bond length is 1.50 Å. The C(68)-O(36) bond length is 1.28 Å. The C(68)-O(40) bond length is 1.27 Å. In the forty-fourth C site, C(69,70,71,72) is bonded in a distorted single-bond geometry to one C(73); one C(89,90); and one H(33,34) atom. The C(69,70,71,72)-C(73) bond length is 1.40 Å. The C(69,70,71,72)-C(89,90) bond length is 1.39 Å. The C(69,70,71,72)-H(33,34) bond length is 1.09 Å. In the forty-fifth C site, C(73) is bonded in a trigonal planar geometry to one C(69,70,71,72); one C(77,78,79,80); and one C(93,95,96) atom. The C(73)-C(77,78,79,80) bond length is 1.40 Å. The C(73)-C(93,95,96) bond length is 1.50 Å. In the forty-sixth C site, C(74) is bonded in a trigonal planar geometry to one C(69,70,71,72); one C(77,78,79,80); and one C(94) atom. The C(74)-C(69,70,71,72) bond length is 1.40 Å. The C(74)-C(77,78,79,80) bond length is 1.40 Å. The C(74)-C(94) bond length is 1.50 Å. In the forty-seventh C site, C(75) is bonded in a trigonal planar geometry to one C(69,70,71,72); one C(77,78,79,80); and one C(93,95,96) atom. The C(75)-C(69,70,71,72) bond length is 1.40 Å. The C(75)-C(77,78,79,80) bond length is 1.40 Å. The C(75)-C(93,95,96) bond length is 1.50 Å. In the forty-eighth C site, C(76) is bonded in a trigonal planar geometry to one C(69,70,71,72); one C(77,78,79,80); and one C(93,95,96) atom. The C(76)-C(69,70,71,72) bond length is 1.40 Å. The C(76)-C(77,78,79,80) bond length is 1.40 Å. The C(76)-C(93,95,96) bond length is 1.50 Å. In the forty-ninth C site, C(77,78,79,80) is bonded in a distorted trigonal planar geometry to one C(73); one C(81,82); and one H(37,38,39,40) atom. The C(77,78,79,80)-C(81,82) bond length is 1.39 Å. The C(77,78,79,80)-H(37,38,39,40) bond length is 1.09 Å. In the fiftieth C site, C(81,82) is bonded in a distorted single-bond geometry to one C(77,78,79,80); one C(85); and one H(41,42,43,44) atom. The C(81,82)-C(85) bond length is 1.40 Å. The C(81,82)-H(41,42,43,44) bond length is 1.09 Å. In the fifty-first C site, C(83,84) is bonded in a distorted single-bond geometry to one C(77,78,79,80); one C(87); and one H(41,42,43,44) atom. The C(83,84)-C(77,78,79,80) bond length is 1.39 Å. The C(83,84)-C(87) bond length is 1.40 Å. The C(83,84)-H(41,42,43,44) bond length is 1.09 Å. In the fifty-second C site, C(85) is bonded in a trigonal planar geometry to one C(65,66); one C(81,82); and one C(89,90) atom. The C(85)-C(89,90) bond length is 1.40 Å. In the fifty-third C site, C(86) is bonded in a trigonal planar geometry to one C(65,66); one C(81,82); and one C(89,90) atom. The C(86)-C(65,66) bond length is 1.50 Å. The C(86)-C(81,82) bond length is 1.40 Å. The C(86)-C(89,90) bond length is 1.40 Å. In the fifty-fourth C site, C(87) is bonded in a trigonal planar geometry to one C(67); one C(83,84); and one C(91,92) atom. The C(87)-C(91,92) bond length is 1.40 Å. In the fifty-fifth C site, C(88) is bonded in a trigonal planar geometry to one C(68); one C(83,84); and one C(91,92) atom. The C(88)-C(83,84) bond length is 1.40 Å. The C(88)-C(91,92) bond length is 1.40 Å. In the fifty-sixth C site, C(89,90) is bonded in a distorted trigonal planar geometry to one C(69,70,71,72); one C(85); and one H(45,46,47,48) atom. The C(89,90)-H(45,46,47,48) bond length is 1.09 Å. In the fifty-seventh C site, C(91,92) is bonded in a distorted trigonal planar geometry to one C(69,70,71,72); one C(87); and one H(45,46,47,48) atom. The C(91,92)-C(69,70,71,72) bond length is 1.39 Å. The C(91,92)-H(45,46,47,48) bond length is 1.09 Å. In the fifty-eighth C site, C(93,95,96) is bonded in a distorted bent 120 degrees geometry to one C(73), one O(41), and one O(45) atom. The C(93,95,96)-O(41) bond length is 1.27 Å. The C(93,95,96)-O(45) bond length is 1.28 Å. In the fifty-ninth C site, C(94) is bonded in a distorted bent 120 degrees geometry to one C(74), one O(42), and one O(46) atom. The C(94)-O(42) bond length is 1.27 Å. The C(94)-O(46) bond length is 1.28 Å. In the sixtieth C site, C(97,100) is bonded in a distorted bent 120 degrees geometry to one C(121,122,124); one O(49); and one O(53) atom. The C(97,100)-C(121,122,124) bond length is 1.49 Å. The C(97,100)-O(49) bond length is 1.27 Å. The C(97,100)-O(53) bond length is 1.27 Å. In the sixty-first C site, C(98) is bonded in a distorted bent 120 degrees geometry to one C(121,122,124); one O(50); and one O(54) atom. The C(98)-C(121,122,124) bond length is 1.49 Å. The C(98)-O(50) bond length is 1.27 Å. The C(98)-O(54) bond length is 1.27 Å. In the sixty-second C site, C(99) is bonded in a distorted bent 120 degrees geometry to one C(123), one O(51), and one O(55) atom. The C(99)-C(123) bond length is 1.49 Å. The C(99)-O(51) bond length is 1.27 Å. The C(99)-O(55) bond length is 1.27 Å. In the sixty-third C site, C(101,104) is bonded in a distorted single-bond geometry to one C(121,122,124) and one H(49,50,51,52,61,62,63,64) atom. The C(101,104)-C(121,122,124) bond length is 1.40 Å. The C(101,104)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the sixty-fourth C site, C(102) is bonded in a distorted single-bond geometry to one C(121,122,124) and one H(49,50,51,52,61,62,63,64) atom. The C(102)-C(121,122,124) bond length is 1.40 Å. The C(102)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the sixty-fifth C site, C(103) is bonded in a distorted single-bond geometry to one C(123) and one H(49,50,51,52,61,62,63,64) atom. The C(103)-C(123) bond length is 1.40 Å. The C(103)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the sixty-sixth C site, C(105,106,108) is bonded in a distorted single-bond geometry to one C(109) and one H(53,54,55,56,59) atom. The C(105,106,108)-C(109) bond length is 1.40 Å. The C(105,106,108)-H(53,54,55,56,59) bond length is 1.09 Å. In the sixty-seventh C site, C(107) is bonded in a distorted single-bond geometry to one C(111) and one H(53,54,55,56,59) atom. The C(107)-C(111) bond length is 1.40 Å. The C(107)-H(53,54,55,56,59) bond length is 1.09 Å. In the sixty-eighth C site, C(109) is bonded in a trigonal planar geometry to one C(105,106,108); one C(113,114,116); and one C(125) atom. The C(109)-C(113,114,116) bond length is 1.40 Å. The C(109)-C(125) bond length is 1.49 Å. In the sixty-ninth C site, C(110) is bonded in a trigonal planar geometry to one C(105,106,108); one C(113,114,116); and one C(126) atom. The C(110)-C(105,106,108) bond length is 1.40 Å. The C(110)-C(113,114,116) bond length is 1.40 Å. The C(110)-C(126) bond length is 1.49 Å. In the seventieth C site, C(111) is bonded in a trigonal planar geometry to one C(107), one C(115), and one C(127) atom. The C(111)-C(115) bond length is 1.40 Å. The C(111)-C(127) bond length is 1.49 Å. In the seventy-first C site, C(112) is bonded in a trigonal planar geometry to one C(105,106,108); one C(113,114,116); and one C(128) atom. The C(112)-C(105,106,108) bond length is 1.40 Å. The C(112)-C(113,114,116) bond length is 1.40 Å. The C(112)-C(128) bond length is 1.49 Å. In the seventy-second C site, C(113,114,116) is bonded in a distorted single-bond geometry to one C(109) and one H(57,58,60) atom. The C(113,114,116)-H(57,58,60) bond length is 1.09 Å. In the seventy-third C site, C(115) is bonded in a distorted single-bond geometry to one C(111) and one H(53,54,55,56,59) atom. The C(115)-H(53,54,55,56,59) bond length is 1.09 Å. In the seventy-fourth C site, C(117,120) is bonded in a distorted single-bond geometry to one C(121,122,124) and one H(49,50,51,52,61,62,63,64) atom. The C(117,120)-C(121,122,124) bond length is 1.40 Å. The C(117,120)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the seventy-fifth C site, C(118) is bonded in a distorted single-bond geometry to one C(121,122,124) and one H(49,50,51,52,61,62,63,64) atom. The C(118)-C(121,122,124) bond length is 1.40 Å. The C(118)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the seventy-sixth C site, C(119) is bonded in a distorted single-bond geometry to one C(123) and one H(49,50,51,52,61,62,63,64) atom. The C(119)-C(123) bond length is 1.40 Å. The C(119)-H(49,50,51,52,61,62,63,64) bond length is 1.09 Å. In the seventy-seventh C site, C(121,122,124) is bonded in a trigonal planar geometry to one C(101,104); one C(117,120); and one C(97,100) atom. In the seventy-eighth C site, C(123) is bonded in a trigonal planar geometry to one C(103), one C(119), and one C(99) atom. In the seventy-ninth C site, C(125) is bonded in a distorted bent 120 degrees geometry to one C(109), one O(57), and one O(61) atom. The C(125)-O(57) bond length is 1.27 Å. The C(125)-O(61) bond length is 1.28 Å. In the eightieth C site, C(126) is bonded in a distorted bent 120 degrees geometry to one C(110), one O(58), and one O(62) atom. The C(126)-O(58) bond length is 1.27 Å. The C(126)-O(62) bond length is 1.28 Å. In the eighty-first C site, C(127) is bonded in a distorted bent 120 degrees geometry to one C(111), one O(59), and one O(63) atom. The C(127)-O(59) bond length is 1.27 Å. The C(127)-O(63) bond length is 1.28 Å. In the eighty-second C site, C(128) is bonded in a distorted bent 120 degrees geometry to one C(112), one O(60), and one O(64) atom. The C(128)-O(60) bond length is 1.27 Å. The C(128)-O(64) bond length is 1.28 Å. In the eighty-third C site, C(129,131,132) is bonded in a distorted bent 120 degrees geometry to one C(133), one O(65), and one O(69) atom. The C(129,131,132)-C(133) bond length is 1.50 Å. The C(129,131,132)-O(65) bond length is 1.27 Å. The C(129,131,132)-O(69) bond length is 1.27 Å. In the eighty-fourth C site, C(130) is bonded in a distorted bent 120 degrees geometry to one C(134), one O(66), and one O(70) atom. The C(130)-C(134) bond length is 1.50 Å. The C(130)-O(66) bond length is 1.27 Å. The C(130)-O(70) bond length is 1.27 Å. In the eighty-fifth C site, C(133) is bonded in a trigonal planar geometry to one C(129,131,132); one C(137,138,139,140); and one C(141,142,143,144) atom. The C(133)-C(137,138,139,140) bond length is 1.40 Å. The C(133)-C(141,142,143,144) bond length is 1.40 Å. In the eighty-sixth C site, C(134) is bonded in a trigonal planar geometry to one C(130); one C(137,138,139,140); and one C(141,142,143,144) atom. The C(134)-C(137,138,139,140) bond length is 1.40 Å. The C(134)-C(141,142,143,144) bond length is 1.40 Å. In the eighty-seventh C site, C(135) is bonded in a trigonal planar geometry to one C(129,131,132); one C(137,138,139,140); and one C(141,142,143,144) atom. The C(135)-C(129,131,132) bond length is 1.50 Å. The C(135)-C(137,138,139,140) bond length is 1.40 Å. The C(135)-C(141,142,143,144) bond length is 1.40 Å. In the eighty-eighth C site, C(136) is bonded in a trigonal planar geometry to one C(129,131,132); one C(137,138,139,140); and one C(141,142,143,144) atom. The C(136)-C(129,131,132) bond length is 1.50 Å. The C(136)-C(137,138,139,140) bond length is 1.40 Å. The C(136)-C(141,142,143,144) bond length is 1.40 Å. In the eighty-ninth C site, C(137,138,139,140) is bonded in a distorted single-bond geometry to one C(133) and one H(65,66,67,68) atom. The C(137,138,139,140)-H(65,66,67,68) bond length is 1.09 Å. In the ninetieth C site, C(141,142,143,144) is bonded in a distorted single-bond geometry to one C(134) and one H(69,70,71,72) atom. The C(141,142,143,144)-H(69,70,71,72) bond length is 1.09 Å. There are nineteen inequivalent H sites. In the first H site, H(1,2,3,4) is bonded in a single-bond geometry to one C(5,7) atom. In the second H site, H(5,6,7,8) is bonded in a single-bond geometry to one C(9,11,12) atom. In the third H site, H(9,10,11,12) is bonded in a single-bond geometry to one C(17,19,20) atom. In the fourth H site, H(13,14,15,16) is bonded in a single-bond geometry to one C(21,23) atom. In the fifth H site, H(17,19,20) is bonded in a single-bond geometry to one C(41) atom. In the sixth H site, H(18) is bonded in a single-bond geometry to one C(42,43,44) atom. In the seventh H site, H(21,22,23,24) is bonded in a single-bond geometry to one C(45,47,48) atom. In the eighth H site, H(25,26,27,28) is bonded in a single-bond geometry to one C(53,55,56) atom. In the ninth H site, H(29,30,31,32) is bonded in a single-bond geometry to one C(57) atom. In the tenth H site, H(33,34) is bonded in a single-bond geometry to one C(69,70,71,72) atom. In the eleventh H site, H(35,36) is bonded in a single-bond geometry to one C(69,70,71,72) atom. The H(35,36)-C(69,70,71,72) bond length is 1.09 Å. In the twelfth H site, H(37,38,39,40) is bonded in a single-bond geometry to one C(77,78,79,80) atom. In the thirteenth H site, H(41,42,43,44) is bonded in a single-bond geometry to one C(81,82) atom. In the fourteenth H site, H(45,46,47,48) is bonded in a single-bond geometry to one C(89,90) atom. In the fifteenth H site, H(49,50,51,52,61,62,63,64) is bonded in a single-bond geometry to one C(101,104) atom. In the sixteenth H site, H(53,54,55,56,59) is bonded in a single-bond geometry to one C(105,106,108) atom. In the seventeenth H site, H(57,58,60) is bonded in a single-bond geometry to one C(113,114,116) atom. In the eighteenth H site, H(65,66,67,68) is bonded in a single-bond geometry to one C(137,138,139,140) atom. In the nineteenth H site, H(69,70,71,72) is bonded in a single-bond geometry to one C(141,142,143,144) atom. There are seventy-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(1,3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(2,4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(3) and one C(1,3) atom. The O(3)-C(1,3) bond length is 1.27 Å. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(4) and one C(2,4) atom. The O(4)-C(2,4) bond length is 1.27 Å. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(5) and one C(1,3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(6) and one C(2,4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sc(7) and one C(1,3) atom. The O(7)-C(1,3) bond length is 1.27 Å. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sc(8) and one C(2,4) atom. The O(8)-C(2,4) bond length is 1.27 Å. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sc(11) and one C(29) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sc(11) and one C(30) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Sc(12) and one C(31,32) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sc(12) and one C(31,32) atom. The O(12)-C(31,32) bond length is 1.27 Å. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sc(9) and one C(29) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Sc(9) and one C(30) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Sc(10) and one C(31,32) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sc(10) and one C(31,32) atom. The O(16)-C(31,32) bond length is 1.27 Å. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Sc(9) and one C(33,36) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Sc(9) and one C(34) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Sc(10) and one C(35) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Sc(10) and one C(33,36) atom. The O(20)-C(33,36) bond length is 1.27 Å. In the twenty-first O site, O(21) is bonded in a linear geometry to one Sc(11) and one C(33,36) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Sc(11) and one C(34) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Sc(12) and one C(35) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Sc(12) and one C(33,36) atom. The O(24)-C(33,36) bond length is 1.27 Å. In the twenty-fifth O site, O(25) is bonded in a linear geometry to one Sc(3) and one C(61) atom. In the twenty-sixth O site, O(26) is bonded in a linear geometry to one Sc(4) and one C(62) atom. In the twenty-seventh O site, O(27) is bonded in a linear geometry to one Sc(1) and one C(63,64) atom. In the twenty-eighth O site, O(28) is bonded in a linear geometry to one Sc(2) and one C(63,64) atom. The O(28)-C(63,64) bond length is 1.27 Å. In the twenty-ninth O site, O(29) is bonded in a distorted bent 120 degrees geometry to one Sc(7) and one C(61) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 120 degrees geometry to one Sc(8) and one C(62) atom. In the thirty-first O site, O(31) is bonded in a distorted bent 120 degrees geometry to one Sc(5) and one C(63,64) atom. In the thirty-second O site, O(32) is bonded in a distorted bent 120 degrees geometry to one Sc(6) and one C(63,64) atom. The O(32)-C(63,64) bond length is 1.28 Å. In the thirty-third O site, O(33) is bonded in a distorted bent 150 degrees geometry to one Sc(7) and one C(65,66) atom. In the thirty-fourth O site, O(34) is bonded in a distorted bent 150 degrees geometry to one Sc(8) and one C(65,66) atom. The O(34)-C(65,66) bond length is 1.28 Å. In the thirty-fifth O site, O(35) is bonded in a distorted bent 150 degrees geometry to one Sc(5) and one C(67) atom. In the thirty-sixth O site, O(36) is bonded in a distorted bent 150 degrees geometry to one Sc(6) and one C(68) atom. In the thirty-seventh O site, O(37) is bonded in a bent 150 degrees geometry to one Sc(3) and one C(65,66) atom. In the thirty-eighth O site, O(38) is bonded in a bent 150 degrees geometry to one Sc(4) and one C(65,66) atom. The O(38)-C(65,66) bond length is 1.27 Å. In the thirty-ninth O site, O(39) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(67) atom. In the fortieth O site, O(40) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(68) atom. In the forty-first O site, O(41) is bonded in a linear geometry to one Sc(5) and one C(93,95,96) atom. In the forty-second O site, O(42) is bonded in a linear geometry to one Sc(6) and one C(94) atom. In the forty-third O site, O(43) is bonded in a linear geometry to one Sc(7) and one C(93,95,96) atom. The O(43)-C(93,95,96) bond length is 1.27 Å. In the forty-fourth O site, O(44) is bonded in a linear geometry to one Sc(8) and one C(93,95,96) atom. The O(44)-C(93,95,96) bond length is 1.27 Å. In the forty-fifth O site, O(45) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one C(93,95,96) atom. In the forty-sixth O site, O(46) is bonded in a distorted bent 120 degrees geometry to one Sc(2) and one C(94) atom. In the forty-seventh O site, O(47) is bonded in a distorted bent 120 degrees geometry to one Sc(3) and one C(93,95,96) atom. The O(47)-C(93,95,96) bond length is 1.28 Å. In the forty-eighth O site, O(48) is bonded in a distorted bent 120 degrees geometry to one Sc(4) and one C(93,95,96) atom. The O(48)-C(93,95,96) bond length is 1.28 Å. In the forty-ninth O site, O(49) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(97,100) atom. In the fiftieth O site, O(50) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(98) atom. In the fifty-first O site, O(51) is bonded in a bent 150 degrees geometry to one Sc(3) and one C(99) atom. In the fifty-second O site, O(52) is bonded in a bent 150 degrees geometry to one Sc(4) and one C(97,100) atom. The O(52)-C(97,100) bond length is 1.27 Å. In the fifty-third O site, O(53) is bonded in a bent 150 degrees geometry to one Sc(5) and one C(97,100) atom. In the fifty-fourth O site, O(54) is bonded in a bent 150 degrees geometry to one Sc(6) and one C(98) atom. In the fifty-fifth O site, O(55) is bonded in a bent 150 degrees geometry to one Sc(7) and one C(99) atom. In the fifty-sixth O site, O(56) is bonded in a bent 150 degrees geometry to one Sc(8) and one C(97,100) atom. The O(56)-C(97,100) bond length is 1.27 Å. In the fifty-seventh O site, O(57) is bonded in a distorted bent 150 degrees geometry to one Sc(10) and one C(125) atom. In the fifty-eighth O site, O(58) is bonded in a distorted bent 150 degrees geometry to one Sc(10) and one C(126) atom. In the fifty-ninth O site, O(59) is bonded in a distorted bent 150 degrees geometry to one Sc(9) and one C(127) atom. In the sixtieth O site, O(60) is bonded in a distorted bent 150 degrees geometry to one Sc(9) and one C(128) atom. In the sixty-first O site, O(61) is bonded in a distorted bent 150 degrees geometry to one Sc(12) and one C(125) atom. In the sixty-second O site, O(62) is bonded in a distorted bent 150 degrees geometry to one Sc(12) and one C(126) atom. In the sixty-third O site, O(63) is bonded in a distorted bent 150 degrees geometry to one Sc(11) and one C(127) atom. In the sixty-fourth O site, O(64) is bonded in a distorted bent 150 degrees geometry to one Sc(11) and one C(128) atom. In the sixty-fifth O site, O(65) is bonded in a bent 150 degrees geometry to one Sc(5) and one C(129,131,132) atom. In the sixty-sixth O site, O(66) is bonded in a bent 150 degrees geometry to one Sc(6) and one C(130) atom. In the sixty-seventh O site, O(67) is bonded in a bent 150 degrees geometry to one Sc(7) and one C(129,131,132) atom. The O(67)-C(129,131,132) bond length is 1.27 Å. In the sixty-eighth O site, O(68) is bonded in a bent 150 degrees geometry to one Sc(8) and one C(129,131,132) atom. The O(68)-C(129,131,132) bond length is 1.27 Å. In the sixty-ninth O site, O(69) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(129,131,132) atom. In the seventieth O site, O(70) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(130) atom. In the seventy-first O site, O(71) is bonded in a bent 150 degrees geometry to one Sc(3) and one C(129,131,132) atom. The O(71)-C(129,131,132) bond length is 1.27 Å. In the seventy-second O site, O(72) is bonded in a bent 150 degrees geometry to one Sc(4) and one C(129,131,132) atom. The O(72)-C(129,131,132) bond length is 1.27 Å. Linkers: 18 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: 12 [Sc]. The MOF has largest included sphere 1.91 A, density 1.42 g/cm3, surface area 5670.11 m2/g, accessible volume 0.13 cm3/g