BaC8H12SO11 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 10-coordinate geometry to one H(11), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Ba(1)-H(11) bond length is 2.95 Å. The Ba(1)-O(1) bond length is 2.83 Å. The Ba(1)-O(2) bond length is 2.96 Å. The Ba(1)-O(3) bond length is 2.79 Å. The Ba(1)-O(4) bond length is 3.03 Å. The Ba(1)-O(5) bond length is 2.84 Å. The Ba(1)-O(6) bond length is 2.91 Å. The Ba(1)-O(7) bond length is 2.71 Å. The Ba(1)-O(8) bond length is 3.00 Å. The Ba(1)-O(9) bond length is 2.74 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(2) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-H(2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one S(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-S(1) bond length is 1.78 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(8) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(8) bond length is 1.50 Å. In the fifth 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 1.40 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.48 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.34 Å. The C(7)-O(2) bond length is 1.24 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(7), and one O(8) atom. The C(8)-O(7) bond length is 1.28 Å. The C(8)-O(8) bond length is 1.27 Å. There are twelve 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(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a bent 150 degrees geometry to one O(1) and one O(4) atom. The H(4)-O(1) bond length is 1.03 Å. The H(4)-O(4) bond length is 1.58 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. The H(5)-O(4) bond length is 0.98 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. The H(6)-O(4) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(5) atom. The H(7)-O(5) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(5) atom. The H(8)-O(5) bond length is 1.00 Å. In the ninth H site, H(9) is bonded in a distorted single-bond geometry to one O(10) and one O(6) atom. The H(9)-O(10) bond length is 1.64 Å. The H(9)-O(6) bond length is 1.00 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. The H(10)-O(6) bond length is 1.00 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one Ba(1) and one O(9) atom. The H(11)-O(9) bond length is 0.99 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(9) atom. The H(12)-O(9) bond length is 0.99 Å. S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one O(10), one O(11), and one O(3) atom. The S(1)-O(10) bond length is 1.47 Å. The S(1)-O(11) bond length is 1.48 Å. The S(1)-O(3) bond length is 1.47 Å. There are eleven inequivalent O sites. In the first O site, O(11) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one C(7), and one H(4) atom. In the third O site, O(2) is bonded in a single-bond geometry to one Ba(1) and one C(7) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one H(4), one H(5), and one H(6) atom. In the sixth O site, O(5) is bonded in a water-like geometry to one Ba(1), one H(7), and one H(8) atom. In the seventh O site, O(6) is bonded in a water-like geometry to one Ba(1), one H(10), and one H(9) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one C(8) atom. In the ninth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1) and one C(8) atom. In the tenth O site, O(9) is bonded in a water-like geometry to one Ba(1), one H(11), and one H(12) atom. In the eleventh O site, O(10) is bonded in a bent 150 degrees geometry to one H(9) and one S(1) atom. Linkers: 4 [O]C(=O)c1cc(C(=O)O)cc(S([O])([O])[O])c1. Metal clusters: 4 [Ba]. RCSR code: hcb. The MOF has largest included sphere 1.95 A, density 2.24 g/cm3, surface area 3325.76 m2/g, accessible volume 0.07 cm3/g