Co12C97H41(NO2)24(CH)15 crystallizes in the monoclinic C2/m space group. The structure consists of sixty 02329_fluka molecules inside a Co12C97H41(NO2)24 framework. In the Co12C97H41(NO2)24 framework, there are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one N(1), one O(1), one O(2), and one O(3) atom. The Co(1)-N(1) bond length is 2.14 Å. The Co(1)-O(1) bond length is 2.00 Å. The Co(1)-O(2) bond length is 2.21 Å. The Co(1)-O(3) bond length is 2.15 Å. In the second Co site, Co(2) is bonded in an octahedral geometry to one N(2), one N(4), one O(2), one O(4), one O(5), and one O(6) atom. The Co(2)-N(2) bond length is 2.13 Å. The Co(2)-N(4) bond length is 2.09 Å. The Co(2)-O(2) bond length is 2.16 Å. The Co(2)-O(4) bond length is 2.03 Å. The Co(2)-O(5) bond length is 2.06 Å. The Co(2)-O(6) bond length is 2.10 Å. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one N(5), one O(10), one O(7), one O(8), and one O(9) atom. The Co(3)-N(5) bond length is 2.05 Å. The Co(3)-O(10) bond length is 2.02 Å. The Co(3)-O(7) bond length is 1.97 Å. The Co(3)-O(8) bond length is 2.00 Å. The Co(3)-O(9) bond length is 2.39 Å. In the fourth Co site, Co(4) is bonded to one N(7), one O(12), one O(14), one O(17), and one O(18) atom to form corner-sharing CoNO4 square pyramids. The corner-sharing octahedral tilt angles are 74°. The Co(4)-N(7) bond length is 2.13 Å. The Co(4)-O(12) bond length is 2.03 Å. The Co(4)-O(14) bond length is 2.00 Å. The Co(4)-O(17) bond length is 2.16 Å. The Co(4)-O(18) bond length is 2.24 Å. In the fifth Co site, Co(5) is bonded to one N(8), one N(9), one O(13), one O(15), one O(18), and one O(22) atom to form corner-sharing CoN2O4 octahedra. The Co(5)-N(8) bond length is 2.11 Å. The Co(5)-N(9) bond length is 2.09 Å. The Co(5)-O(13) bond length is 2.01 Å. The Co(5)-O(15) bond length is 2.11 Å. The Co(5)-O(18) bond length is 2.16 Å. The Co(5)-O(22) bond length is 2.12 Å. In the sixth Co site, Co(6) is bonded in a distorted tetrahedral geometry to one N(10), one O(16), one O(21), and one O(23) atom. The Co(6)-N(10) bond length is 2.03 Å. The Co(6)-O(16) bond length is 1.98 Å. The Co(6)-O(21) bond length is 1.94 Å. The Co(6)-O(23) bond length is 1.94 Å. There are fifty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.29 Å. The C(1)-N(3) bond length is 1.35 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(1), and one O(4) atom. The C(2)-C(5) bond length is 1.50 Å. The C(2)-O(1) bond length is 1.27 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(2), and one O(3) atom. The C(3)-C(6) bond length is 1.49 Å. The C(3)-O(2) bond length is 1.28 Å. The C(3)-O(3) bond length is 1.25 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(4)-N(2) bond length is 1.30 Å. The C(4)-N(3) bond length is 1.36 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(8), and one C(9) atom. The C(5)-C(8) bond length is 1.40 Å. The C(5)-C(9) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(3) atom. The C(6)-C(13) bond length is 1.40 Å. The C(6)-C(14) bond length is 1.39 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one N(3) atom. The C(7)-N(3) bond length is 1.43 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(16), one C(5), and one H(3) atom. The C(8)-C(16) bond length is 1.39 Å. The C(8)-H(3) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a single-bond geometry to one C(17), one C(5), and one H(4) atom. The C(9)-C(17) bond length is 1.38 Å. The C(9)-H(4) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(5) atom. The C(10)-N(4) bond length is 1.30 Å. The C(10)-N(6) bond length is 1.35 Å. The C(10)-H(5) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(5), and one O(7) atom. The C(11)-C(19) bond length is 1.49 Å. The C(11)-O(5) bond length is 1.26 Å. The C(11)-O(7) bond length is 1.27 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(6), and one O(8) atom. The C(12)-C(20) bond length is 1.50 Å. The C(12)-O(6) bond length is 1.24 Å. The C(12)-O(8) bond length is 1.27 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(21), one C(6), and one H(6) atom. The C(13)-C(21) bond length is 1.38 Å. The C(13)-H(6) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(22), one C(6), and one H(7) atom. The C(14)-C(22) bond length is 1.38 Å. The C(14)-H(7) bond length is 0.93 Å. In the fifteenth C site, C(16) is bonded in a trigonal planar geometry to one C(23), one C(24), and one C(8) atom. The C(16)-C(23) bond length is 1.38 Å. The C(16)-C(24) bond length is 1.52 Å. In the sixteenth C site, C(17) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(9) atom. The C(17)-C(23) bond length is 1.40 Å. The C(17)-C(25) bond length is 1.49 Å. In the seventeenth C site, C(18) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(9) atom. The C(18)-N(5) bond length is 1.30 Å. The C(18)-N(6) bond length is 1.36 Å. The C(18)-H(9) bond length is 0.93 Å. In the eighteenth C site, C(19) is bonded in a trigonal planar geometry to one C(11), one C(27), and one C(52) atom. The C(19)-C(27) bond length is 1.38 Å. The C(19)-C(52) bond length is 1.38 Å. In the nineteenth C site, C(20) is bonded in a trigonal planar geometry to one C(12), one C(28), and one C(29) atom. The C(20)-C(28) bond length is 1.39 Å. The C(20)-C(29) bond length is 1.40 Å. In the twentieth C site, C(21) is bonded in a trigonal planar geometry to one C(13), one C(30), and one C(31) atom. The C(21)-C(30) bond length is 1.40 Å. The C(21)-C(31) bond length is 1.49 Å. In the twenty-first C site, C(22) is bonded in a trigonal planar geometry to one C(14), one C(30), and one C(32) atom. The C(22)-C(30) bond length is 1.38 Å. The C(22)-C(32) bond length is 1.49 Å. In the twenty-second C site, C(23) is bonded in a distorted single-bond geometry to one C(16), one C(17), and one H(10) atom. The C(23)-H(10) bond length is 0.93 Å. In the twenty-third C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(11), and one O(12) atom. The C(24)-O(11) bond length is 1.24 Å. The C(24)-O(12) bond length is 1.26 Å. In the twenty-fourth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(13), and one O(14) atom. The C(25)-O(13) bond length is 1.26 Å. The C(25)-O(14) bond length is 1.26 Å. In the twenty-fifth C site, C(26) is bonded in a distorted single-bond geometry to one N(6) atom. The C(26)-N(6) bond length is 1.44 Å. In the twenty-sixth C site, C(27) is bonded in a distorted single-bond geometry to one C(19), one C(53), and one H(11) atom. The C(27)-C(53) bond length is 1.42 Å. The C(27)-H(11) bond length is 0.93 Å. In the twenty-seventh C site, C(28) is bonded in a single-bond geometry to one C(20), one C(34), and one H(12) atom. The C(28)-C(34) bond length is 1.39 Å. The C(28)-H(12) bond length is 0.93 Å. In the twenty-eighth C site, C(29) is bonded in a distorted single-bond geometry to one C(20), one C(35), and one H(13) atom. The C(29)-C(35) bond length is 1.40 Å. The C(29)-H(13) bond length is 0.93 Å. In the twenty-ninth C site, C(30) is bonded in a distorted single-bond geometry to one C(21), one C(22), and one H(14) atom. The C(30)-H(14) bond length is 0.93 Å. In the thirtieth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(15), and one O(16) atom. The C(31)-O(15) bond length is 1.24 Å. The C(31)-O(16) bond length is 1.27 Å. In the thirty-first C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(10), and one O(9) atom. The C(32)-O(10) bond length is 1.28 Å. The C(32)-O(9) bond length is 1.24 Å. In the thirty-second C site, C(34) is bonded in a trigonal planar geometry to one C(28), one C(36), and one C(37) atom. The C(34)-C(36) bond length is 1.39 Å. The C(34)-C(37) bond length is 1.49 Å. In the thirty-third C site, C(35) is bonded in a trigonal planar geometry to one C(29), one C(36), and one C(38) atom. The C(35)-C(36) bond length is 1.38 Å. The C(35)-C(38) bond length is 1.51 Å. In the thirty-fourth C site, C(36) is bonded in a distorted single-bond geometry to one C(34), one C(35), and one H(16) atom. The C(36)-H(16) bond length is 0.93 Å. In the thirty-fifth C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(17), and one O(18) atom. The C(37)-O(17) bond length is 1.24 Å. The C(37)-O(18) bond length is 1.29 Å. In the thirty-sixth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(20), and one O(21) atom. The C(38)-O(20) bond length is 1.24 Å. The C(38)-O(21) bond length is 1.27 Å. In the thirty-seventh C site, C(39) is bonded in a trigonal planar geometry to one N(11), one N(8), and one H(17) atom. The C(39)-N(11) bond length is 1.35 Å. The C(39)-N(8) bond length is 1.30 Å. The C(39)-H(17) bond length is 0.93 Å. In the thirty-eighth C site, C(40) is bonded in a trigonal planar geometry to one N(12), one N(9), and one H(18) atom. The C(40)-N(12) bond length is 1.36 Å. The C(40)-N(9) bond length is 1.29 Å. The C(40)-H(18) bond length is 0.93 Å. In the thirty-ninth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(44), one O(22), and one O(23) atom. The C(41)-C(44) bond length is 1.50 Å. The C(41)-O(22) bond length is 1.25 Å. The C(41)-O(23) bond length is 1.27 Å. In the fortieth C site, C(42) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(19) atom. The C(42)-N(10) bond length is 1.30 Å. The C(42)-N(12) bond length is 1.35 Å. The C(42)-H(19) bond length is 0.93 Å. In the forty-first C site, C(43) is bonded in a trigonal planar geometry to one N(11), one N(7), and one H(20) atom. The C(43)-N(11) bond length is 1.36 Å. The C(43)-N(7) bond length is 1.30 Å. The C(43)-H(20) bond length is 0.93 Å. In the forty-second C site, C(44) is bonded in a trigonal planar geometry to one C(41), one C(47), and one C(59) atom. The C(44)-C(47) bond length is 1.39 Å. The C(44)-C(59) bond length is 1.39 Å. In the forty-third C site, C(45) is bonded in a distorted single-bond geometry to one C(60) and one N(11) atom. The C(45)-C(60) bond length is 1.37 Å. The C(45)-N(11) bond length is 1.42 Å. In the forty-fourth C site, C(46) is bonded in a distorted single-bond geometry to one N(12) atom. The C(46)-N(12) bond length is 1.44 Å. In the forty-fifth C site, C(47) is bonded in a distorted single-bond geometry to one C(44), one C(61), and one H(21) atom. The C(47)-C(61) bond length is 1.40 Å. The C(47)-H(21) bond length is 0.93 Å. In the forty-sixth C site, C(52) is bonded in a distorted single-bond geometry to two equivalent C(19) and one H(26) atom. The C(52)-H(26) bond length is 0.93 Å. In the forty-seventh C site, C(53) is bonded in a trigonal planar geometry to one C(54) and two equivalent C(27) atoms. The C(53)-C(54) bond length is 1.52 Å. In the forty-eighth C site, C(54) is bonded in a bent 120 degrees geometry to one C(53) and two equivalent O(19) atoms. Both C(54)-O(19) bond lengths are 1.24 Å. In the forty-ninth C site, C(59) is bonded in a distorted single-bond geometry to two equivalent C(44) and one H(31) atom. The C(59)-H(31) bond length is 0.93 Å. In the fiftieth C site, C(60) is bonded in a distorted trigonal planar geometry to two equivalent C(45) and one H(32) atom. The C(60)-H(32) bond length is 0.93 Å. In the fifty-first C site, C(61) is bonded in a trigonal planar geometry to one C(63) and two equivalent C(47) atoms. The C(61)-C(63) bond length is 1.53 Å. In the fifty-second C site, C(63) is bonded in a distorted bent 120 degrees geometry to one C(61) and two equivalent O(24) atoms. Both C(63)-O(24) bond lengths are 1.24 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Co(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(2), one C(4), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(7) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Co(2), one C(10), and one N(5) atom. The N(4)-N(5) bond length is 1.39 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Co(3), one C(18), and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(10), one C(18), and one C(26) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Co(4), one C(43), and one N(8) atom. The N(7)-N(8) bond length is 1.38 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Co(5), one C(39), and one N(7) atom. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Co(5), one C(40), and one N(10) atom. The N(9)-N(10) bond length is 1.38 Å. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Co(6), one C(42), and one N(9) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one C(39), one C(43), and one C(45) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(46) atom. There are twenty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(27) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(28) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(29) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(30) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(36) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(39) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(40) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(42) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(43) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(47) atom. In the twentieth H site, H(26) is bonded in a single-bond geometry to one C(52) atom. In the twenty-first H site, H(31) is bonded in a single-bond geometry to one C(59) atom. In the twenty-second H site, H(32) is bonded in a single-bond geometry to one C(60) atom. There are twenty-four inequivalent O sites. In the first O site, O(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one C(3) atom. In the second O site, O(3) is bonded in an L-shaped geometry to one Co(1) and one C(3) atom. In the third O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one C(11) atom. In the fifth O site, O(6) is bonded in a distorted linear geometry to one Co(2) and one C(12) atom. In the sixth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one C(11) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(3) and one C(12) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Co(3) and one C(32) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Co(3) and one C(32) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one C(24) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(4) and one C(24) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Co(5) and one C(25) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one C(25) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Co(5) and one C(31) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Co(6) and one C(31) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Co(4) and one C(37) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Co(4), one Co(5), and one C(37) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one C(54) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Co(6) and one C(38) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Co(5) and one C(41) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Co(6) and one C(41) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one C(63) atom. Linkers: 32 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,17 c1cc(-n2cnnc2)cc(-n2cnnc2)c1 ,1 [O]C(=O)c1cc([C]=O)cc(C([O])=O)c1. Metal clusters: 8 O=[C]O[Co]12N=N[Co]34([N][N][Co](O[C]O3)O[C]O4)(O[C]O1)O[C]O2 ,8 O=[C]O[Co@]12N=N[Co]34(N=N[Co@@](O[C]=O)(O[C]O3)O[C]O4)(O[C]O1)O[C]O2. The MOF has largest included sphere 6.55 A, density 1.43 g/cm3, surface area 3525.70 m2/g, accessible volume 0.25 cm3/g