BaC6H6S2O9 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), one O(8), one O(9), and two equivalent O(6) atoms. The Ba(1)-O(1) bond length is 2.71 Å. The Ba(1)-O(2) bond length is 2.82 Å. The Ba(1)-O(4) bond length is 2.88 Å. The Ba(1)-O(5) bond length is 2.76 Å. The Ba(1)-O(7) bond length is 2.97 Å. The Ba(1)-O(8) bond length is 2.82 Å. The Ba(1)-O(9) bond length is 2.78 Å. There is one shorter (2.77 Å) and one longer (2.91 Å) Ba(1)-O(6) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one S(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.41 Å. The C(1)-S(1) bond length is 1.77 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(5) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(5) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one S(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-S(2) bond length is 1.77 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(6) atom. The C(4)-H(6) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one O(7) atom. The C(5)-O(7) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1) and one O(8) atom. The C(6)-O(8) bond length is 1.35 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(8) atom. The H(2)-O(2) bond length is 1.71 Å. The H(2)-O(8) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. The H(3)-O(9) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. The H(4)-O(9) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.48 Å. The S(1)-O(2) bond length is 1.48 Å. The S(1)-O(3) bond length is 1.47 Å. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one O(4), one O(5), and one O(6) atom. The S(2)-O(4) bond length is 1.47 Å. The S(2)-O(5) bond length is 1.47 Å. The S(2)-O(6) bond length is 1.48 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one H(2), and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Ba(1), one C(5), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one C(6), and one H(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ba(1), one H(3), and one H(4) atom. Linkers: 2 [O]S([O])([O])c1cc(O)c(O)c(S([O])([O])[O])c1. Metal clusters: 2 [Ba]. RCSR code: bnn. The MOF has largest included sphere 2.68 A, density 2.52 g/cm3, surface area 2507.65 m2/g, accessible volume 0.06 cm3/g