Co2C21N3H16O8C4H3 crystallizes in the monoclinic P2_1 space group. The structure consists of six isobutylene molecules inside a Co2C21N3H16O8 framework. In the Co2C21N3H16O8 framework, there are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(4), one O(1), one O(11), one O(15), and one O(22) atom to form corner-sharing CoNO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 71°. The Co(1)-N(4) bond length is 2.10 Å. The Co(1)-O(1) bond length is 1.97 Å. The Co(1)-O(11) bond length is 1.93 Å. The Co(1)-O(15) bond length is 2.04 Å. The Co(1)-O(22) bond length is 1.96 Å. In the second Co site, Co(2) is bonded to one N(5), one O(12), one O(13), one O(2), and one O(23) atom to form corner-sharing CoNO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 71°. The Co(2)-N(5) bond length is 2.10 Å. The Co(2)-O(12) bond length is 1.93 Å. The Co(2)-O(13) bond length is 2.04 Å. The Co(2)-O(2) bond length is 1.97 Å. The Co(2)-O(23) bond length is 1.96 Å. In the third Co site, Co(3) is bonded to one N(6), one O(10), one O(14), one O(24), and one O(3) atom to form corner-sharing CoNO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 71°. The Co(3)-N(6) bond length is 2.10 Å. The Co(3)-O(10) bond length is 1.93 Å. The Co(3)-O(14) bond length is 2.04 Å. The Co(3)-O(24) bond length is 1.96 Å. The Co(3)-O(3) bond length is 1.97 Å. In the fourth Co site, Co(4,5) is bonded to one N(1), one N(9), one O(1), one O(18), one O(19), and one O(7) atom to form corner-sharing CoN2O4 octahedra. The Co(4,5)-N(1) bond length is 2.28 Å. The Co(4,5)-N(9) bond length is 2.07 Å. The Co(4,5)-O(1) bond length is 2.10 Å. The Co(4,5)-O(18) bond length is 2.05 Å. The Co(4,5)-O(19) bond length is 2.03 Å. The Co(4,5)-O(7) bond length is 2.04 Å. In the fifth Co site, Co(6) is bonded to one N(3), one N(8), one O(17), one O(21), one O(3), and one O(9) atom to form corner-sharing CoN2O4 octahedra. The Co(6)-N(3) bond length is 2.28 Å. The Co(6)-N(8) bond length is 2.07 Å. The Co(6)-O(17) bond length is 2.05 Å. The Co(6)-O(21) bond length is 2.03 Å. The Co(6)-O(3) bond length is 2.10 Å. The Co(6)-O(9) bond length is 2.04 Å. There are thirty-six inequivalent C sites. In the first C site, C(1,2,3) is bonded in a trigonal planar geometry to one C(16,18); one C(34,36); and one C(4,6) atom. The C(1,2,3)-C(16,18) bond length is 1.40 Å. The C(1,2,3)-C(34,36) bond length is 1.50 Å. The C(1,2,3)-C(4,6) bond length is 1.40 Å. In the second C site, C(4,6) is bonded in a distorted single-bond geometry to one C(1,2,3); one C(7); and one H(1,2,3) atom. The C(4,6)-C(7) bond length is 1.40 Å. The C(4,6)-H(1,2,3) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(1,2,3); one C(8,9); and one H(1,2,3) atom. The C(5)-C(1,2,3) bond length is 1.40 Å. The C(5)-C(8,9) bond length is 1.40 Å. The C(5)-H(1,2,3) bond length is 1.09 Å. In the fourth C site, C(7) is bonded in a trigonal planar geometry to one C(10,12); one C(37,38); and one C(4,6) atom. The C(7)-C(10,12) bond length is 1.40 Å. The C(7)-C(37,38) bond length is 1.50 Å. In the fifth C site, C(8,9) is bonded in a trigonal planar geometry to one C(11); one C(37,38); and one C(5) atom. The C(8,9)-C(11) bond length is 1.40 Å. The C(8,9)-C(37,38) bond length is 1.50 Å. In the sixth C site, C(10,12) is bonded in a distorted single-bond geometry to one C(13,14,15); one C(7); and one H(4,5,6) atom. The C(10,12)-C(13,14,15) bond length is 1.40 Å. The C(10,12)-H(4,5,6) bond length is 1.09 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(13,14,15); one C(8,9); and one H(4,5,6) atom. The C(11)-C(13,14,15) bond length is 1.40 Å. The C(11)-H(4,5,6) bond length is 1.09 Å. In the eighth C site, C(13,14,15) is bonded in a trigonal planar geometry to one C(10,12); one C(16,18); and one C(19) atom. The C(13,14,15)-C(16,18) bond length is 1.40 Å. The C(13,14,15)-C(19) bond length is 1.51 Å. In the ninth C site, C(16,18) is bonded in a distorted single-bond geometry to one C(1,2,3); one C(13,14,15); and one H(7,8,9) atom. The C(16,18)-H(7,8,9) bond length is 1.09 Å. In the tenth C site, C(17) is bonded in a distorted single-bond geometry to one C(1,2,3); one C(13,14,15); and one H(7,8,9) atom. The C(17)-C(1,2,3) bond length is 1.40 Å. The C(17)-C(13,14,15) bond length is 1.40 Å. The C(17)-H(7,8,9) bond length is 1.09 Å. In the eleventh C site, C(19) is bonded in a 3-coordinate geometry to one C(13,14,15); one N(1); one H(10,11,12); and one H(13,14,15) atom. The C(19)-N(1) bond length is 1.49 Å. The C(19)-H(10,11,12) bond length is 1.10 Å. The C(19)-H(13,14,15) bond length is 1.10 Å. In the twelfth C site, C(20) is bonded in a 3-coordinate geometry to one C(13,14,15); one N(2); one H(10,11,12); and one H(13,14,15) atom. The C(20)-C(13,14,15) bond length is 1.51 Å. The C(20)-N(2) bond length is 1.49 Å. The C(20)-H(10,11,12) bond length is 1.10 Å. The C(20)-H(13,14,15) bond length is 1.10 Å. In the thirteenth C site, C(21) is bonded in a 3-coordinate geometry to one C(13,14,15); one N(3); one H(10,11,12); and one H(13,14,15) atom. The C(21)-C(13,14,15) bond length is 1.51 Å. The C(21)-N(3) bond length is 1.49 Å. The C(21)-H(10,11,12) bond length is 1.10 Å. The C(21)-H(13,14,15) bond length is 1.10 Å. In the fourteenth C site, C(22,23) is bonded in a distorted trigonal non-coplanar geometry to one N(1); one H(16,17,18); and one H(19,20,21) atom. The C(22,23)-N(1) bond length is 1.48 Å. The C(22,23)-H(16,17,18) bond length is 1.10 Å. The C(22,23)-H(19,20,21) bond length is 1.10 Å. In the fifteenth C site, C(24) is bonded in a distorted trigonal non-coplanar geometry to one N(3); one H(16,17,18); and one H(19,20,21) atom. The C(24)-N(3) bond length is 1.48 Å. The C(24)-H(16,17,18) bond length is 1.10 Å. The C(24)-H(19,20,21) bond length is 1.10 Å. In the sixteenth C site, C(25,26) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(4,6) atom. The C(25,26)-O(1) bond length is 1.31 Å. The C(25,26)-O(4,6) bond length is 1.23 Å. In the seventeenth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4,6) atom. The C(27)-O(3) bond length is 1.31 Å. The C(27)-O(4,6) bond length is 1.23 Å. In the eighteenth C site, C(28,29) is bonded in a distorted trigonal non-coplanar geometry to one N(1); one H(22,23,24); and one H(25,26,27) atom. The C(28,29)-N(1) bond length is 1.48 Å. The C(28,29)-H(22,23,24) bond length is 1.10 Å. The C(28,29)-H(25,26,27) bond length is 1.10 Å. In the nineteenth C site, C(30) is bonded in a distorted trigonal non-coplanar geometry to one N(3); one H(22,23,24); and one H(25,26,27) atom. The C(30)-N(3) bond length is 1.48 Å. The C(30)-H(22,23,24) bond length is 1.10 Å. The C(30)-H(25,26,27) bond length is 1.10 Å. In the twentieth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(7) atom. The C(31)-O(10) bond length is 1.26 Å. The C(31)-O(7) bond length is 1.27 Å. In the twenty-first C site, C(32) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(8) atom. The C(32)-O(11) bond length is 1.26 Å. The C(32)-O(8) bond length is 1.27 Å. In the twenty-second C site, C(33) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(9) atom. The C(33)-O(12) bond length is 1.26 Å. The C(33)-O(9) bond length is 1.27 Å. In the twenty-third C site, C(34,36) is bonded in a distorted bent 120 degrees geometry to one C(1,2,3); one O(13); and one O(16) atom. The C(34,36)-O(13) bond length is 1.27 Å. The C(34,36)-O(16) bond length is 1.29 Å. In the twenty-fourth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(1,2,3); one O(14); and one O(17) atom. The C(35)-C(1,2,3) bond length is 1.50 Å. The C(35)-O(14) bond length is 1.27 Å. The C(35)-O(17) bond length is 1.29 Å. In the twenty-fifth C site, C(37,38) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(19), and one O(22) atom. The C(37,38)-O(19) bond length is 1.27 Å. The C(37,38)-O(22) bond length is 1.28 Å. In the twenty-sixth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(8,9); one O(21); and one O(24) atom. The C(39)-C(8,9) bond length is 1.50 Å. The C(39)-O(21) bond length is 1.27 Å. The C(39)-O(24) bond length is 1.28 Å. In the twenty-seventh C site, C(40,41,42) is bonded in a distorted trigonal planar geometry to one C(43,44,45); one N(4); and one H(28,29,30) atom. The C(40,41,42)-C(43,44,45) bond length is 1.39 Å. The C(40,41,42)-N(4) bond length is 1.35 Å. The C(40,41,42)-H(28,29,30) bond length is 1.09 Å. In the twenty-eighth C site, C(43,44,45) is bonded in a distorted trigonal planar geometry to one C(40,41,42); one C(46,47,48); and one H(31,32,33) atom. The C(43,44,45)-C(46,47,48) bond length is 1.41 Å. The C(43,44,45)-H(31,32,33) bond length is 1.09 Å. In the twenty-ninth C site, C(46,47,48) is bonded in a trigonal planar geometry to one C(43,44,45); one C(49,50,51); and one C(55,56,57) atom. The C(46,47,48)-C(49,50,51) bond length is 1.41 Å. The C(46,47,48)-C(55,56,57) bond length is 1.45 Å. In the thirtieth C site, C(49,50,51) is bonded in a distorted trigonal planar geometry to one C(46,47,48); one C(52,53,54); and one H(34,35,36) atom. The C(49,50,51)-C(52,53,54) bond length is 1.39 Å. The C(49,50,51)-H(34,35,36) bond length is 1.09 Å. In the thirty-first C site, C(52,53,54) is bonded in a distorted trigonal planar geometry to one C(49,50,51); one N(4); and one H(37,38,39) atom. The C(52,53,54)-N(4) bond length is 1.35 Å. The C(52,53,54)-H(37,38,39) bond length is 1.09 Å. In the thirty-second C site, C(55,56,57) is bonded in a distorted single-bond geometry to one C(46,47,48) and one H(40,41,42) atom. The C(55,56,57)-H(40,41,42) bond length is 1.09 Å. In the thirty-third C site, C(67,69) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(49,50,51) atom. The C(67,69)-N(7) bond length is 1.35 Å. The C(67,69)-H(49,50,51) bond length is 1.09 Å. In the thirty-fourth C site, C(68) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(49,50,51) atom. The C(68)-N(8) bond length is 1.35 Å. The C(68)-H(49,50,51) bond length is 1.09 Å. In the thirty-fifth C site, C(70,72) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(52,53,54) atom. The C(70,72)-N(7) bond length is 1.35 Å. The C(70,72)-H(52,53,54) bond length is 1.09 Å. In the thirty-sixth C site, C(71) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(52,53,54) atom. The C(71)-N(8) bond length is 1.35 Å. The C(71)-H(52,53,54) bond length is 1.09 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Co(4,5); one C(19); one C(22,23); and one C(28,29) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Co(4,5); one C(20); one C(22,23); and one C(28,29) atom. The N(2)-Co(4,5) bond length is 2.28 Å. The N(2)-C(22,23) bond length is 1.48 Å. The N(2)-C(28,29) bond length is 1.48 Å. In the third N site, N(3) is bonded in a distorted tetrahedral geometry to one Co(6), one C(21), one C(24), and one C(30) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1); one C(40,41,42); and one C(52,53,54) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(2); one C(40,41,42); and one C(52,53,54) atom. The N(5)-C(40,41,42) bond length is 1.35 Å. The N(5)-C(52,53,54) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Co(3); one C(40,41,42); and one C(52,53,54) atom. The N(6)-C(40,41,42) bond length is 1.35 Å. The N(6)-C(52,53,54) bond length is 1.35 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Co(4,5); one C(67,69); and one C(70,72) atom. The N(7)-Co(4,5) bond length is 2.07 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Co(6), one C(68), and one C(71) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Co(4,5); one C(67,69); and one C(70,72) atom. The N(9)-C(67,69) bond length is 1.35 Å. The N(9)-C(70,72) bond length is 1.35 Å. There are sixteen inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(4,6) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(10,12) atom. In the third H site, H(7,8,9) is bonded in a single-bond geometry to one C(16,18) atom. In the fourth H site, H(10,11,12) is bonded in a single-bond geometry to one C(19) atom. In the fifth H site, H(13,14,15) is bonded in a single-bond geometry to one C(19) atom. In the sixth H site, H(16,17,18) is bonded in a single-bond geometry to one C(22,23) atom. In the seventh H site, H(19,20,21) is bonded in a single-bond geometry to one C(22,23) atom. In the eighth H site, H(22,23,24) is bonded in a single-bond geometry to one C(28,29) atom. In the ninth H site, H(25,26,27) is bonded in a single-bond geometry to one C(28,29) atom. In the tenth H site, H(28,29,30) is bonded in a single-bond geometry to one C(40,41,42) atom. In the eleventh H site, H(31,32,33) is bonded in a single-bond geometry to one C(43,44,45) atom. In the twelfth H site, H(34,35,36) is bonded in a single-bond geometry to one C(49,50,51) atom. In the thirteenth H site, H(37,38,39) is bonded in a single-bond geometry to one C(52,53,54) atom. In the fourteenth H site, H(40,41,42) is bonded in a single-bond geometry to one C(55,56,57) atom. In the fifteenth H site, H(49,50,51) is bonded in a single-bond geometry to one C(67,69) atom. In the sixteenth H site, H(52,53,54) is bonded in a single-bond geometry to one C(70,72) atom. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(1); one Co(4,5); and one C(25,26) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2); one Co(4,5); and one C(25,26) atom. The O(2)-Co(4,5) bond length is 2.10 Å. The O(2)-C(25,26) bond length is 1.31 Å. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(3), one Co(6), and one C(27) atom. In the fourth O site, O(4,6) is bonded in a single-bond geometry to one C(25,26) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(25,26) atom. The O(5)-C(25,26) bond length is 1.23 Å. In the sixth O site, O(7) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(31) atom. In the seventh O site, O(8) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(32) atom. The O(8)-Co(4,5) bond length is 2.04 Å. In the eighth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(6) and one C(33) atom. In the ninth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one C(31) atom. In the tenth O site, O(11) is bonded in a bent 150 degrees geometry to one Co(1) and one C(32) atom. In the eleventh O site, O(12) is bonded in a bent 150 degrees geometry to one Co(2) and one C(33) atom. In the twelfth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one C(34,36) atom. In the thirteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one C(35) atom. In the fourteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one C(34,36) atom. The O(15)-C(34,36) bond length is 1.27 Å. In the fifteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(34,36) atom. The O(16)-Co(4,5) bond length is 2.05 Å. In the sixteenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(6) and one C(35) atom. In the seventeenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(34,36) atom. The O(18)-C(34,36) bond length is 1.29 Å. In the eighteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(37,38) atom. In the nineteenth O site, O(20) is bonded in a bent 120 degrees geometry to one Co(4,5) and one C(37,38) atom. The O(20)-Co(4,5) bond length is 2.03 Å. The O(20)-C(37,38) bond length is 1.27 Å. In the twentieth O site, O(21) is bonded in a bent 120 degrees geometry to one Co(6) and one C(39) atom. In the twenty-first O site, O(22) is bonded in a bent 120 degrees geometry to one Co(1) and one C(37,38) atom. In the twenty-second O site, O(23) is bonded in a bent 120 degrees geometry to one Co(2) and one C(37,38) atom. The O(23)-C(37,38) bond length is 1.28 Å. In the twenty-third O site, O(24) is bonded in a bent 120 degrees geometry to one Co(3) and one C(39) atom. Linkers: 6 C(=C/c1ccncc1)\c1ccncc1 ,6 [O]C(=O)CN(CC([O])=O)Cc1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 12 [Co]. The MOF has largest included sphere 4.37 A, density 1.33 g/cm3, surface area 4147.07 m2/g, accessible volume 0.29 cm3/g