MgC10NH6O5C3H2 crystallizes in the monoclinic C2/c space group. The structure consists of four 2,3-dimethyl-1,3-butadiene molecules inside a MgC10NH6O5 framework. In the MgC10NH6O5 framework, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 64°. Both Mg(1)-O(1) bond lengths are 2.15 Å. Both Mg(1)-O(2) bond lengths are 2.03 Å. Both Mg(1)-O(3) bond lengths are 2.01 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 64°. Both Mg(2)-O(1) bond lengths are 2.19 Å. Both Mg(2)-O(4) bond lengths are 2.07 Å. Both Mg(2)-O(5) bond lengths are 2.07 Å. There are ten 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(5) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(5) bond length is 0.82 Å. In the second C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(2), and one O(5) atom. The C(4)-C(8) bond length is 1.50 Å. The C(4)-O(2) bond length is 1.26 Å. The C(4)-O(5) bond length is 1.26 Å. In the third C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(5)-C(6) bond length is 1.52 Å. The C(5)-O(3) bond length is 1.26 Å. The C(5)-O(4) bond length is 1.26 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(5) atom. The C(6)-C(10) bond length is 1.39 Å. The C(6)-C(13) bond length is 1.38 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(7)-C(8) bond length is 1.38 Å. The C(7)-H(8) bond length is 0.91 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(4), and one C(7) atom. The C(8)-C(11) bond length is 1.40 Å. In the seventh C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(6), and one H(1) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-H(1) bond length is 1.13 Å. In the eighth C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(4) atom. The C(11)-H(4) bond length is 1.11 Å. In the ninth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(12)-N(1) bond length is 1.34 Å. The C(12)-H(2) bond length is 0.97 Å. In the tenth C site, C(13) is bonded in a distorted single-bond geometry to one C(6) and one H(6) atom. The C(13)-H(6) bond length is 1.00 Å. N(1) is bonded in a trigonal planar geometry to one C(1), one C(12), and one O(1) atom. The N(1)-O(1) bond length is 1.33 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one N(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one C(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one C(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(2) and one C(4) atom. Linkers: 4 [O-][n+]1ccc(-c2cc[n+]([O-])cc2)cc1 ,8 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: 8 [Mg]. The MOF has largest included sphere 5.29 A, density 1.17 g/cm3, surface area 4106.30 m2/g, accessible volume 0.42 cm3/g