CoH36(C2N)18(C3H2)6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve 2,3-dimethyl-1,3-butadiene molecules and four CoH36(C2N)18 clusters. In each CoH36(C2N)18 cluster, Co(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(4), and two equivalent N(7) atoms. Both Co(1)-N(1) bond lengths are 2.14 Å. Both Co(1)-N(4) bond lengths are 2.21 Å. Both Co(1)-N(7) bond lengths are 2.17 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(2) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-N(3) bond length is 1.34 Å. The C(2)-H(2) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one N(2), one H(3), and one H(4) atom. The C(3)-C(4) bond length is 1.51 Å. The C(3)-N(2) bond length is 1.45 Å. The C(3)-H(3) bond length is 0.99 Å. The C(3)-H(4) bond length is 0.99 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(9) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-C(9) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(5) atom. The C(5)-H(5) bond length is 0.95 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(8) atom. The C(9)-H(8) bond length is 0.95 Å. In the seventh C site, C(10) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(9) atom. The C(10)-N(4) bond length is 1.35 Å. The C(10)-N(5) bond length is 1.35 Å. The C(10)-H(9) bond length is 0.95 Å. In the eighth C site, C(11) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(10) atom. The C(11)-N(4) bond length is 1.35 Å. The C(11)-N(6) bond length is 1.35 Å. The C(11)-H(10) bond length is 0.95 Å. In the ninth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one C(13), one N(5), one H(11), and one H(12) atom. The C(12)-C(13) bond length is 1.54 Å. The C(12)-N(5) bond length is 1.44 Å. The C(12)-H(11) bond length is 0.99 Å. The C(12)-H(12) bond length is 0.99 Å. In the tenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(18) bond length is 1.39 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(13,16) atom. The C(14)-H(13,16) bond length is 0.95 Å. In the twelfth C site, C(18) is bonded in a single-bond geometry to one C(13) and one H(13,16) atom. The C(18)-H(13,16) bond length is 0.95 Å. In the thirteenth C site, C(19) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(17) atom. The C(19)-N(7) bond length is 1.36 Å. The C(19)-N(8) bond length is 1.36 Å. The C(19)-H(17) bond length is 0.95 Å. In the fourteenth C site, C(20) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(18) atom. The C(20)-N(7) bond length is 1.36 Å. The C(20)-N(9) bond length is 1.36 Å. The C(20)-H(18) bond length is 0.95 Å. In the fifteenth C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one C(22); one N(8); and two equivalent H(19,20) atoms. The C(21)-C(22) bond length is 1.52 Å. The C(21)-N(8) bond length is 1.42 Å. Both C(21)-H(19,20) bond lengths are 0.99 Å. In the sixteenth C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(27) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-C(27) bond length is 1.39 Å. In the seventeenth C site, C(23) is bonded in a distorted single-bond geometry to one C(22) and one H(21,24) atom. The C(23)-H(21,24) bond length is 0.95 Å. In the eighteenth C site, C(27) is bonded in a distorted single-bond geometry to one C(22) and one H(21,24) atom. The C(27)-H(21,24) bond length is 0.95 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(1), one C(3), and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(2) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Co(1), one C(10), and one C(11) atom. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one C(10), one C(12), and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one C(11) and one N(5) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Co(1), one C(19), and one C(20) atom. In the eighth N site, N(8) is bonded in a distorted bent 120 degrees geometry to one C(19), one C(21), and one N(9) atom. The N(8)-N(9) bond length is 1.36 Å. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one C(20) and one N(8) atom. There are fifteen 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(13,16) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(19,20) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(21,24) is bonded in a single-bond geometry to one C(23) atom. Linkers: 3 [CH]1N=C[N]N1Cc1ccc(-c2ccc(Cn3cncn3)cc2)cc1 ,9 [CH]1N=C[N]N1Cc1ccc(-c2ccc(CN3[CH]N=C[N]3)cc2)cc1. Metal clusters: 4 [Co]. The MOF has largest included sphere 8.73 A, density 0.70 g/cm3, surface area 5351.10 m2/g, accessible volume 0.87 cm3/g