CoC12H8(NO2)2(C3H2)4 is Indium-derived structured and crystallizes in the trigonal P3_2 space group. The structure is zero-dimensional and consists of six 2,3-dimethyl-1,3-butadiene molecules and three CoC12H8(NO2)2 clusters. In each CoC12H8(NO2)2 cluster, Co(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one O(2), and one O(4) atom. The Co(1)-N(1) bond length is 2.14 Å. The Co(1)-N(2) bond length is 2.13 Å. The Co(1)-O(2) bond length is 2.07 Å. The Co(1)-O(4) bond length is 2.06 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.31 Å. The C(5)-H(4) bond length is 0.95 Å. In the third C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(6) atom. The C(8)-C(9) bond length is 1.42 Å. The C(8)-H(6) bond length is 0.95 Å. In the fourth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(8) atom. The C(9)-C(10) bond length is 1.30 Å. The C(9)-C(12) bond length is 1.53 Å. In the fifth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(7) atom. The C(10)-H(7) bond length is 0.95 Å. In the sixth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(1), and one O(4) atom. The C(12)-O(1) bond length is 1.28 Å. The C(12)-O(4) bond length is 1.25 Å. In the seventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(9) atom. The C(13)-N(2) bond length is 1.34 Å. The C(13)-H(9) bond length is 0.95 Å. In the eighth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(12) atom. The C(17)-N(2) bond length is 1.32 Å. The C(17)-H(12) bond length is 0.95 Å. In the ninth C site, C(20) is bonded in a distorted single-bond geometry to one C(21) and one H(14) atom. The C(20)-C(21) bond length is 1.34 Å. The C(20)-H(14) bond length is 0.95 Å. In the tenth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(24) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(24) bond length is 1.50 Å. In the eleventh C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(15) atom. The C(22)-H(15) bond length is 0.95 Å. In the twelfth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(2), and one O(3) atom. The C(24)-O(2) bond length is 1.27 Å. The C(24)-O(3) bond length is 1.27 Å. There are two 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(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(1), one C(13), and one C(17) atom. There are eight 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(4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(12) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one C(24) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(24) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one C(12) atom. Linkers: 1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[C]/C=C\C(=[CH])C1=C[CH]N([Co@](O[C]=O)(OC(=O)c2c[c][c]cc2)N2[CH]C=C(c3ccc(C([O])=O)cc3)C=C2)C=C1.[CH]=[N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]/[C]=C/[CH].[C]=O.[C]=O.[C]=[CH].[C][CH].[C][CH]/C([C]=[CH])=C\[CH].[C][C]=[CH].[Co].[Co].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N][Co][O].[O].[O].[O].[O].[O].[O] ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]#[C].[C]#[C].[C]#[C].[C]/C=C\[N][CH].[C]/[C]=C\[C]=[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]N([CH])[Co]([O])O[C]=O.[C]N([C])[Co]OC(=O)[C]=[C].[C][CH].[C][CH].[C][C].[C][C][CH].[Co].[Co].[Co].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][C]=O.[O][Co].[c]1ccncc1 ,1 [CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH]=[C][C]=[CH].[CH][C]/C=C\[N].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]=[CH].[C]=[CH].[C]=[C][N].[C]C(=[C])C([O])=O.[C][CH].[C][C].[C][C]=[C].[C][C][CH].[Co].[Co].[Co].[Co].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N][Co]([O])[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][C]=O.[O][Co].[c]1ccncc1 ,1 O=[C]O[Co].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]#N.[C]/C=C(/[C])C=[C].[C]=C/[C]=[C]/C(=O)O[Co@](OC(=O)c1c[c][c]cc1)(N1[CH]C=C(/C([CH])=C/[CH][C]=[CH])C=C1)N1[CH]C=C(c2ccc(C([O])=O)cc2)C=C1.[C]=O.[C]=O.[C]=[CH].[C]=[CH].[C]C(=[CH])[C]=[C].[C][CH].[Co].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[O].[O].[O].[O].[O][Co]. Metal clusters: 1 O=[C]O[Co]O[C]=O. The MOF has largest included sphere 4.99 A, density 1.00 g/cm3, surface area 5163.76 m2/g, accessible volume 0.63 cm3/g