(C3H2)3Cu3C31N3H7(O4Cl3)3 crystallizes in the trigonal R-3c space group. The structure consists of eighteen 2,3-dimethyl-1,3-butadiene molecules inside a Cu3C31N3H7(O4Cl3)3 framework. In each Cu3C31N3H7(O4Cl3)3 framework, Cu(1) is bonded in a T-shaped geometry to one N(1), one O(1), and one O(3) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 1.95 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(1)-C(3) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.23 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(2)-C(5) bond length is 1.53 Å. The C(2)-O(3) bond length is 1.26 Å. The C(2)-O(4) bond length is 1.24 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(8) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one Cl(1) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-Cl(1) bond length is 1.74 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(5)-C(6) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one Cl(2) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-Cl(2) bond length is 1.73 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(14), one C(6), and one C(8) atom. The C(7)-C(14) bond length is 1.53 Å. The C(7)-C(8) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one Cl(3) atom. The C(8)-Cl(3) bond length is 1.73 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1,4) atom. The C(9)-N(1) bond length is 1.33 Å. The C(9)-H(1,4) bond length is 0.94 Å. In the tenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1,4) atom. The C(13)-N(1) bond length is 1.32 Å. The C(13)-H(1,4) bond length is 0.94 Å. In the eleventh C site, C(14) is bonded in a single-bond geometry to three equivalent C(7) and one H(5) atom. The C(14)-H(5) bond length is 0.99 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(9) atom. There are two inequivalent H sites. In the first H site, H(1,4) is bonded in a single-bond geometry to one C(9) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(14) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(4) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(6) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(8) atom. Linkers: 4 [O]C(=O)c1c(Cl)c(C([O])=O)c(Cl)c(C(c2c(Cl)c(C([O])=O)c(Cl)c(C([O])=O)c2Cl)c2c(Cl)c(C([O])=O)c(Cl)c(C([O])=O)c2Cl)c1Cl ,6 c1cc(-c2ccncc2)ccn1. Metal clusters: 12 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 5.35 A, density 1.37 g/cm3, surface area 3825.15 m2/g, accessible volume 0.34 cm3/g