ZnC8N5H5O2(CH)2 crystallizes in the hexagonal P6_3/mmc space group. The structure consists of twelve 1,3-butadiene molecules inside a ZnC8N5H5O2 framework. In the ZnC8N5H5O2 framework, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Zn(1)-N(1) bond length is 2.00 Å. The Zn(1)-N(2) bond length is 2.05 Å. The Zn(1)-N(3) bond length is 2.02 Å. The Zn(1)-N(4) bond length is 2.02 Å. There are ten inequivalent C sites. In the first C site, C(9) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(7) atom. Both C(9)-N(1) bond lengths are 1.33 Å. The C(9)-H(7) bond length is 0.95 Å. In the second C site, C(10) is bonded in a trigonal planar geometry to two equivalent N(2) and one H(8) atom. Both C(10)-N(2) bond lengths are 1.34 Å. The C(10)-H(8) bond length is 0.95 Å. In the third C site, C(11) is bonded in a trigonal planar geometry to one N(5) and two equivalent N(3) atoms. The C(11)-N(5) bond length is 1.43 Å. Both C(11)-N(3) bond lengths are 1.34 Å. In the fourth C site, C(12) is bonded in a trigonal planar geometry to one N(6) and two equivalent N(4) atoms. The C(12)-N(6) bond length is 1.43 Å. Both C(12)-N(4) bond lengths are 1.33 Å. In the fifth C site, C(1) is bonded in a distorted single-bond geometry to one N(1) atom. The C(1)-N(1) bond length is 1.33 Å. In the sixth C site, C(4) is bonded in a distorted single-bond geometry to one C(4), one C(5), and one N(2) atom. The C(4)-C(4) bond length is 1.40 Å. The C(4)-C(5) bond length is 1.32 Å. The C(4)-N(2) bond length is 1.35 Å. In the seventh C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.35 Å. The C(5)-H(3) bond length is 0.95 Å. In the eighth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(6), and one H(4) atom. The C(6)-C(6) bond length is 1.28 Å. The C(6)-H(4) bond length is 0.95 Å. In the ninth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(5) atom. The C(7)-N(3) bond length is 1.31 Å. The C(7)-H(5) bond length is 0.95 Å. In the tenth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(6) atom. The C(8)-N(4) bond length is 1.31 Å. The C(8)-H(6) bond length is 0.95 Å. There are six inequivalent N sites. In the first N site, N(5) is bonded in a trigonal planar geometry to one C(11) and two equivalent O(1) atoms. Both N(5)-O(1) bond lengths are 1.22 Å. In the second N site, N(6) is bonded in a trigonal planar geometry to one C(12) and two equivalent O(2) atoms. Both N(6)-O(2) bond lengths are 1.25 Å. In the third N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(9) atom. In the fourth N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(4) atom. In the fifth N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(11), and one C(7) atom. In the sixth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(12), and one C(8) atom. There are six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one N(6) atom. Linkers: 24 C1=Nc2ccccc2[N]1 ,17 O=[N+]([O-])C1=NC=C[N]1 ,7 O=[N+]([O-])C1=N[CH]C=N1. Metal clusters: 24 [Zn]. The MOF has largest included sphere 10.92 A, density 1.04 g/cm3, surface area 4355.12 m2/g, accessible volume 0.58 cm3/g