Zn3C40H22(N3O7)2(CH)8(C3H2)4 crystallizes in the monoclinic C2/c space group. The structure consists of thirty-two 02329_fluka molecules and eight 2,3-dimethyl-1,3-butadiene molecules inside a Zn3C40H22(N3O7)2 framework. In the Zn3C40H22(N3O7)2 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one O(3), and one O(6) atom. The Zn(1)-N(1) bond length is 2.03 Å. The Zn(1)-N(2) bond length is 2.01 Å. The Zn(1)-O(3) bond length is 1.92 Å. The Zn(1)-O(6) bond length is 1.98 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent N(3) and two equivalent O(2) atoms. Both Zn(2)-N(3) bond lengths are 2.05 Å. Both Zn(2)-O(2) bond lengths are 2.02 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.49 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 trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.36 Å. The C(2)-C(7) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one O(5) atom. The C(5)-C(6) bond length is 1.37 Å. The C(5)-O(5) bond length is 1.40 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(8) bond length is 1.51 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(6), and one O(7) atom. The C(8)-O(6) bond length is 1.28 Å. The C(8)-O(7) bond length is 1.23 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(14) and one O(5) atom. The C(9)-C(14) bond length is 1.39 Å. The C(9)-O(5) bond length is 1.41 Å. In the ninth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-H(7) bond length is 0.93 Å. In the tenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(9) atom. The C(14)-C(15) bond length is 1.50 Å. In the eleventh C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(3), and one O(4) atom. The C(15)-O(3) bond length is 1.26 Å. The C(15)-O(4) bond length is 1.24 Å. In the twelfth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(8) atom. The C(16)-N(1) bond length is 1.35 Å. The C(16)-H(8) bond length is 0.93 Å. In the thirteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(11) atom. The C(20)-N(1) bond length is 1.36 Å. The C(20)-H(11) bond length is 0.93 Å. In the fourteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(13) atom. The C(23)-N(3) bond length is 1.33 Å. The C(23)-H(13) bond length is 0.93 Å. In the fifteenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(14) atom. The C(24)-N(3) bond length is 1.32 Å. The C(24)-H(14) bond length is 0.93 Å. In the sixteenth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(27), one N(2), and one H(16) atom. The C(26)-C(27) bond length is 1.38 Å. The C(26)-N(2) bond length is 1.34 Å. The C(26)-H(16) bond length is 0.93 Å. In the seventeenth C site, C(27) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one H(17) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-H(17) bond length is 0.93 Å. In the eighteenth C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(28), and one C(29) atom. The C(28)-C(28) bond length is 1.47 Å. The C(28)-C(29) bond length is 1.39 Å. In the nineteenth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(18) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-H(18) bond length is 0.93 Å. In the twentieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one N(2), and one H(19) atom. The C(30)-N(2) bond length is 1.31 Å. The C(30)-H(19) bond length is 0.93 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(16), and one C(20) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(26), and one C(30) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(2), one C(23), and one C(24) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the fifth H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the sixth H site, H(13) is bonded in a single-bond geometry to one C(23) atom. In the seventh H site, H(14) is bonded in a single-bond geometry to one C(24) atom. In the eighth H site, H(16) is bonded in a single-bond geometry to one C(26) atom. In the ninth H site, H(17) is bonded in a single-bond geometry to one C(27) atom. In the tenth H site, H(18) is bonded in a single-bond geometry to one C(29) atom. In the eleventh H site, H(19) is bonded in a single-bond geometry to one C(30) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Zn(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(15) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(15) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one C(5) and one C(9) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(8) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(8) atom. Linkers: 13 c1cc(-c2ccncc2)ccn1 ,8 [O]C(=O)c1ccc(Oc2ccccc2C([O])=O)c(C([O])=O)c1. Metal clusters: 12 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 4.38 A, density 1.35 g/cm3, surface area 4579.07 m2/g, accessible volume 0.27 cm3/g