MgC6H6SO6 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.11 Å. Both Mg(1)-O(2) bond lengths are 2.07 Å. Both Mg(1)-O(3) bond lengths are 2.08 Å. There are three inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(3) bond length is 1.09 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one S(1) atom. The C(3)-C(1) bond length is 1.47 Å. The C(3)-S(1) bond length is 1.72 Å. In the third 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)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.26 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. S(1) is bonded in an L-shaped geometry to two equivalent C(3) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one C(1) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Mg(1) and one C(1) atom. Linkers: 4 [O]C(=O)c1ccc(C([O])=O)s1. Metal clusters: 4 [Mg]. The MOF has largest included sphere 1.91 A, density 1.78 g/cm3, surface area 3712.05 m2/g, accessible volume 0.15 cm3/g