Co2C60H51(N2O3)4(CH)8 crystallizes in the monoclinic C2/c space group. The structure consists of sixty-four 02329_fluka molecules inside a Co2C60H51(N2O3)4 framework. In each Co2C60H51(N2O3)4 framework, there are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted tetrahedral geometry to one N(2), one N(3), one O(5), and one O(6) atom. The Co(1)-N(2) bond length is 2.00 Å. The Co(1)-N(3) bond length is 2.01 Å. The Co(1)-O(5) bond length is 1.99 Å. The Co(1)-O(6) bond length is 1.95 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one N(6), one N(8), one O(1), one O(11), one O(12), and one O(9) atom. The Co(2)-N(6) bond length is 2.04 Å. The Co(2)-N(8) bond length is 2.04 Å. The Co(2)-O(1) bond length is 2.16 Å. The Co(2)-O(11) bond length is 2.08 Å. The Co(2)-O(12) bond length is 2.29 Å. The Co(2)-O(9) bond length is 2.20 Å. There are sixty inequivalent C sites. In the first C site, C(25) is bonded in a trigonal planar geometry to one C(15), one C(33), and one C(34) atom. The C(25)-C(15) bond length is 1.45 Å. The C(25)-C(33) bond length is 1.41 Å. The C(25)-C(34) bond length is 1.41 Å. In the second C site, C(26) is bonded in a distorted single-bond geometry to one C(32), one C(37), and one N(1) atom. The C(26)-C(32) bond length is 1.49 Å. The C(26)-C(37) bond length is 1.40 Å. The C(26)-N(1) bond length is 1.31 Å. In the third C site, C(27) is bonded in a distorted single-bond geometry to one C(20) and one H(13) atom. The C(27)-C(20) bond length is 1.42 Å. The C(27)-H(13) bond length is 0.93 Å. In the fourth C site, C(28) is bonded in a distorted single-bond geometry to one C(15) and one H(14) atom. The C(28)-C(15) bond length is 1.44 Å. The C(28)-H(14) bond length is 0.93 Å. In the fifth C site, C(29) is bonded in a distorted single-bond geometry to one C(22), one C(23), and one O(10) atom. The C(29)-C(22) bond length is 1.40 Å. The C(29)-C(23) bond length is 1.38 Å. The C(29)-O(10) bond length is 1.38 Å. In the sixth C site, C(30) is bonded in a trigonal planar geometry to one C(12), one C(58), and one C(59) atom. The C(30)-C(12) bond length is 1.49 Å. The C(30)-C(58) bond length is 1.40 Å. The C(30)-C(59) bond length is 1.35 Å. In the seventh C site, C(31) is bonded in a trigonal planar geometry to one C(21), one C(4), and one C(62) atom. The C(31)-C(21) bond length is 1.36 Å. The C(31)-C(4) bond length is 1.43 Å. The C(31)-C(62) bond length is 1.52 Å. In the eighth C site, C(32) is bonded in a trigonal non-coplanar geometry to one C(26), one H(15), one H(16), and one H(17) atom. The C(32)-H(15) bond length is 0.96 Å. The C(32)-H(16) bond length is 0.96 Å. The C(32)-H(17) bond length is 0.96 Å. In the ninth C site, C(33) is bonded in a distorted single-bond geometry to one C(25) and one H(18) atom. The C(33)-H(18) bond length is 0.93 Å. In the tenth C site, C(34) is bonded in a distorted single-bond geometry to one C(25), one C(9), and one H(19) atom. The C(34)-C(9) bond length is 1.37 Å. The C(34)-H(19) bond length is 0.93 Å. In the eleventh C site, C(35) is bonded in a trigonal planar geometry to one C(18), one C(36), and one C(44) atom. The C(35)-C(18) bond length is 1.40 Å. The C(35)-C(36) bond length is 1.40 Å. The C(35)-C(44) bond length is 1.39 Å. In the twelfth C site, C(36) is bonded in a single-bond geometry to one C(35) and one H(20) atom. The C(36)-H(20) bond length is 0.93 Å. In the thirteenth C site, C(37) is bonded in a trigonal planar geometry to one C(2), one C(26), and one C(63) atom. The C(37)-C(2) bond length is 1.39 Å. The C(37)-C(63) bond length is 1.52 Å. In the fourteenth C site, C(38) is bonded in a trigonal non-coplanar geometry to one C(19), one H(21), one H(22), and one H(23) atom. The C(38)-C(19) bond length is 1.52 Å. The C(38)-H(21) bond length is 0.96 Å. The C(38)-H(22) bond length is 0.96 Å. The C(38)-H(23) bond length is 0.96 Å. In the fifteenth C site, C(39) is bonded in a distorted single-bond geometry to one C(17) and one H(24) atom. The C(39)-C(17) bond length is 1.40 Å. The C(39)-H(24) bond length is 0.93 Å. In the sixteenth C site, C(58) is bonded in a distorted trigonal planar geometry to one C(30), one C(60), and one N(6) atom. The C(58)-C(60) bond length is 1.46 Å. The C(58)-N(6) bond length is 1.36 Å. In the seventeenth C site, C(59) is bonded in a distorted trigonal planar geometry to one C(30), one C(61), and one N(5) atom. The C(59)-C(61) bond length is 1.50 Å. The C(59)-N(5) bond length is 1.36 Å. In the eighteenth C site, C(60) is bonded in a trigonal non-coplanar geometry to one C(58); one H(45); and two equivalent H(46,47) atoms. The C(60)-H(45) bond length is 0.96 Å. Both C(60)-H(46,47) bond lengths are 0.96 Å. In the nineteenth C site, C(61) is bonded in a trigonal non-coplanar geometry to one C(59), one H(48), one H(49), and one H(50) atom. The C(61)-H(48) bond length is 0.96 Å. The C(61)-H(49) bond length is 0.96 Å. The C(61)-H(50) bond length is 0.96 Å. In the twentieth C site, C(66) is bonded in a distorted trigonal planar geometry to one C(64), one C(68), and one N(8) atom. The C(66)-C(64) bond length is 1.41 Å. The C(66)-C(68) bond length is 1.50 Å. The C(66)-N(8) bond length is 1.34 Å. In the twenty-first C site, C(40) is bonded in a distorted trigonal planar geometry to one C(13), one C(53), and one N(4) atom. The C(40)-C(13) bond length is 1.36 Å. The C(40)-C(53) bond length is 1.51 Å. The C(40)-N(4) bond length is 1.32 Å. In the twenty-second C site, C(42) is bonded in a distorted single-bond geometry to one C(18) and one H(26) atom. The C(42)-C(18) bond length is 1.40 Å. The C(42)-H(26) bond length is 0.93 Å. In the twenty-third C site, C(44) is bonded in a distorted single-bond geometry to one C(1), one C(35), and one H(28) atom. The C(44)-C(1) bond length is 1.37 Å. The C(44)-H(28) bond length is 0.93 Å. In the twenty-fourth C site, C(47) is bonded in a trigonal non-coplanar geometry to one C(2), one H(31), one H(32), and one H(33) atom. The C(47)-C(2) bond length is 1.49 Å. The C(47)-H(31) bond length is 0.96 Å. The C(47)-H(32) bond length is 0.96 Å. The C(47)-H(33) bond length is 0.96 Å. In the twenty-fifth C site, C(48) is bonded in a trigonal planar geometry to one C(49), one C(51), and one C(52) atom. The C(48)-C(49) bond length is 1.44 Å. The C(48)-C(51) bond length is 1.41 Å. The C(48)-C(52) bond length is 1.42 Å. In the twenty-sixth C site, C(49) is bonded in a distorted single-bond geometry to one C(22), one C(48), and one H(34) atom. The C(49)-C(22) bond length is 1.36 Å. The C(49)-H(34) bond length is 0.93 Å. In the twenty-seventh C site, C(51) is bonded in a trigonal planar geometry to one C(23), one C(48), and one C(55) atom. The C(51)-C(23) bond length is 1.40 Å. The C(51)-C(55) bond length is 1.42 Å. In the twenty-eighth C site, C(52) is bonded in a distorted single-bond geometry to one C(48) and one H(36) atom. The C(52)-H(36) bond length is 0.93 Å. In the twenty-ninth C site, C(53) is bonded in a trigonal non-coplanar geometry to one C(40); one H(38); and two equivalent H(37,39) atoms. The C(53)-H(38) bond length is 0.96 Å. Both C(53)-H(37,39) bond lengths are 0.96 Å. In the thirtieth C site, C(55) is bonded in a distorted single-bond geometry to one C(51) and one H(41) atom. The C(55)-H(41) bond length is 0.93 Å. In the thirty-first C site, C(62) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(11), and one O(12) atom. The C(62)-O(11) bond length is 1.27 Å. The C(62)-O(12) bond length is 1.25 Å. In the thirty-second C site, C(63) is bonded in a water-like geometry to one C(37), one C(64), one H(51), and one H(52) atom. The C(63)-C(64) bond length is 1.48 Å. The C(63)-H(51) bond length is 0.97 Å. The C(63)-H(52) bond length is 0.97 Å. In the thirty-third C site, C(64) is bonded in a trigonal planar geometry to one C(63), one C(65), and one C(66) atom. The C(64)-C(65) bond length is 1.38 Å. In the thirty-fourth C site, C(65) is bonded in a distorted trigonal planar geometry to one C(64), one C(67), and one N(7) atom. The C(65)-C(67) bond length is 1.49 Å. The C(65)-N(7) bond length is 1.37 Å. In the thirty-fifth C site, C(67) is bonded in a trigonal non-coplanar geometry to one C(65); one H(54); and two equivalent H(55,56) atoms. The C(67)-H(54) bond length is 0.96 Å. Both C(67)-H(55,56) bond lengths are 0.96 Å. In the thirty-sixth C site, C(68) is bonded in a trigonal non-coplanar geometry to one C(66); one H(58); and two equivalent H(57,59) atoms. The C(68)-H(58) bond length is 0.96 Å. Both C(68)-H(57,59) bond lengths are 0.96 Å. In the thirty-seventh C site, C(1) is bonded in a trigonal planar geometry to one C(14), one C(44), and one C(5) atom. The C(1)-C(14) bond length is 1.44 Å. The C(1)-C(5) bond length is 1.47 Å. In the thirty-eighth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(37), one C(47), and one N(2) atom. The C(2)-N(2) bond length is 1.34 Å. In the thirty-ninth C site, C(3) is bonded in a water-like geometry to one C(16); one C(7); and two equivalent H(5,6) atoms. The C(3)-C(16) bond length is 1.53 Å. The C(3)-C(7) bond length is 1.52 Å. Both C(3)-H(5,6) bond lengths are 0.97 Å. In the fortieth C site, C(4) is bonded in a distorted single-bond geometry to one C(16), one C(31), and one O(2) atom. The C(4)-C(16) bond length is 1.38 Å. The C(4)-O(2) bond length is 1.34 Å. In the forty-first C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(9) atom. The C(5)-O(1) bond length is 1.24 Å. The C(5)-O(9) bond length is 1.27 Å. In the forty-second C site, C(6) is bonded in a water-like geometry to one C(23), one C(24), one H(7), and one H(8) atom. The C(6)-C(23) bond length is 1.51 Å. The C(6)-C(24) bond length is 1.51 Å. The C(6)-H(7) bond length is 0.97 Å. The C(6)-H(8) bond length is 0.97 Å. In the forty-third C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(15), and one C(3) atom. The C(7)-C(10) bond length is 1.37 Å. The C(7)-C(15) bond length is 1.41 Å. In the forty-fourth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(6), and one O(7) atom. The C(8)-C(9) bond length is 1.49 Å. The C(8)-O(6) bond length is 1.28 Å. The C(8)-O(7) bond length is 1.24 Å. In the forty-fifth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(34), and one C(8) atom. The C(9)-C(10) bond length is 1.43 Å. In the forty-sixth C site, C(10) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one O(3) atom. The C(10)-O(3) bond length is 1.34 Å. In the forty-seventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(22), one O(5), and one O(8) atom. The C(11)-C(22) bond length is 1.49 Å. The C(11)-O(5) bond length is 1.24 Å. The C(11)-O(8) bond length is 1.22 Å. In the forty-eighth C site, C(12) is bonded in a water-like geometry to one C(13), one C(30), one H(10), and one H(9) atom. The C(12)-C(13) bond length is 1.51 Å. The C(12)-H(10) bond length is 0.97 Å. The C(12)-H(9) bond length is 0.97 Å. In the forty-ninth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(19), and one C(40) atom. The C(13)-C(19) bond length is 1.39 Å. In the fiftieth C site, C(14) is bonded in a distorted single-bond geometry to one C(1), one C(24), and one O(4) atom. The C(14)-C(24) bond length is 1.38 Å. The C(14)-O(4) bond length is 1.35 Å. In the fifty-first C site, C(15) is bonded in a trigonal planar geometry to one C(25), one C(28), and one C(7) atom. In the fifty-second C site, C(16) is bonded in a trigonal planar geometry to one C(20), one C(3), and one C(4) atom. The C(16)-C(20) bond length is 1.43 Å. In the fifty-third C site, C(17) is bonded in a trigonal planar geometry to one C(20), one C(21), and one C(39) atom. The C(17)-C(20) bond length is 1.41 Å. The C(17)-C(21) bond length is 1.40 Å. In the fifty-fourth C site, C(18) is bonded in a trigonal planar geometry to one C(24), one C(35), and one C(42) atom. The C(18)-C(24) bond length is 1.43 Å. In the fifty-fifth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(13), one C(38), and one N(3) atom. The C(19)-N(3) bond length is 1.32 Å. In the fifty-sixth C site, C(20) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(27) atom. In the fifty-seventh C site, C(21) is bonded in a distorted single-bond geometry to one C(17), one C(31), and one H(12) atom. The C(21)-H(12) bond length is 0.93 Å. In the fifty-eighth C site, C(22) is bonded in a trigonal planar geometry to one C(11), one C(29), and one C(49) atom. In the fifty-ninth C site, C(23) is bonded in a trigonal planar geometry to one C(29), one C(51), and one C(6) atom. In the sixtieth C site, C(24) is bonded in a trigonal planar geometry to one C(14), one C(18), and one C(6) atom. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one C(26), one N(2), and one H(3) atom. The N(1)-N(2) bond length is 1.35 Å. The N(1)-H(3) bond length is 0.86 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(1), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Co(1), one C(19), and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one C(40), one N(3), and one H(11) atom. The N(4)-H(11) bond length is 0.86 Å. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one C(59), one N(6), and one H(44) atom. The N(5)-N(6) bond length is 1.36 Å. The N(5)-H(44) bond length is 0.86 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Co(2), one C(58), and one N(5) atom. In the seventh N site, N(7) is bonded in a 2-coordinate geometry to one C(65), one N(8), and one H(53) atom. The N(7)-N(8) bond length is 1.34 Å. The N(7)-H(53) bond length is 0.86 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Co(2), one C(66), and one N(7) atom. There are forty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.82 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.82 Å. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. The H(4)-O(10) bond length is 0.82 Å. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(27) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(28) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(32) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(32) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(33) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(34) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(36) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(38) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(38) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(39) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(42) atom. In the twenty-fifth H site, H(28) is bonded in a single-bond geometry to one C(44) atom. In the twenty-sixth H site, H(31) is bonded in a single-bond geometry to one C(47) atom. In the twenty-seventh H site, H(32) is bonded in a single-bond geometry to one C(47) atom. In the twenty-eighth H site, H(33) is bonded in a single-bond geometry to one C(47) atom. In the twenty-ninth H site, H(34) is bonded in a single-bond geometry to one C(49) atom. In the thirtieth H site, H(36) is bonded in a single-bond geometry to one C(52) atom. In the thirty-first H site, H(37,39) is bonded in a single-bond geometry to one C(53) atom. In the thirty-second H site, H(38) is bonded in a single-bond geometry to one C(53) atom. In the thirty-third H site, H(41) is bonded in a single-bond geometry to one C(55) atom. In the thirty-fourth H site, H(44) is bonded in a single-bond geometry to one N(5) atom. In the thirty-fifth H site, H(45) is bonded in a single-bond geometry to one C(60) atom. In the thirty-sixth H site, H(46,47) is bonded in a single-bond geometry to one C(60) atom. In the thirty-seventh H site, H(48) is bonded in a single-bond geometry to one C(61) atom. In the thirty-eighth H site, H(49) is bonded in a single-bond geometry to one C(61) atom. In the thirty-ninth H site, H(50) is bonded in a single-bond geometry to one C(61) atom. In the fortieth H site, H(51) is bonded in a single-bond geometry to one C(63) atom. In the forty-first H site, H(52) is bonded in a single-bond geometry to one C(63) atom. In the forty-second H site, H(53) is bonded in a single-bond geometry to one N(7) atom. In the forty-third H site, H(54) is bonded in a single-bond geometry to one C(67) atom. In the forty-fourth H site, H(55,56) is bonded in a single-bond geometry to one C(67) atom. In the forty-fifth H site, H(57,59) is bonded in a single-bond geometry to one C(68) atom. In the forty-sixth H site, H(58) is bonded in a single-bond geometry to one C(68) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Co(2) and one C(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one C(10) and one H(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one C(14) and one H(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(1) and one C(11) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one C(8) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to one Co(2) and one C(5) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one C(29) and one H(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(2) and one C(62) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Co(2) and one C(62) atom. Linkers: 16 Cc1n[nH]c(C)c1Cc1c(C)n[nH]c1C ,8 [O]C(=O)c1cc2ccccc2c(Cc2c(O)c(C([O])=O)cc3ccccc23)c1[O] ,8 [O]C(=O)c1cc2ccccc2c(Cc2c(O)c(C([O])=O)cc3ccccc23)c1O. Metal clusters: 8 O=[C]O[Co]O[C]=O ,8 [C]1O[Co]2(O1)O[C]O2. The MOF has largest included sphere 6.76 A, density 1.05 g/cm3, surface area 4856.43 m2/g, accessible volume 0.51 cm3/g