MnC6H2SO4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(5) atom. The Mn(1)-O(1) bond length is 2.07 Å. The Mn(1)-O(12) bond length is 2.12 Å. The Mn(1)-O(5) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The Mn(2)-O(2) bond length is 2.12 Å. The Mn(2)-O(4) bond length is 2.11 Å. The Mn(2)-O(5) bond length is 2.32 Å. The Mn(2)-O(6) bond length is 2.26 Å. The Mn(2)-O(8) bond length is 2.15 Å. The Mn(2)-O(9) bond length is 2.11 Å. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(3), one O(7), and one O(9) atom to form distorted corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 73°. The Mn(3)-O(10) bond length is 2.26 Å. The Mn(3)-O(11) bond length is 2.11 Å. The Mn(3)-O(3) bond length is 2.12 Å. The Mn(3)-O(7) bond length is 2.09 Å. The Mn(3)-O(9) bond length is 2.36 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(5), and one S(3) atom. The C(1)-C(2) bond length is 1.35 Å. The C(1)-C(5) bond length is 1.48 Å. The C(1)-S(3) bond length is 1.72 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.35 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(6), and one S(3) atom. The C(4)-C(6) bond length is 1.49 Å. The C(4)-S(3) bond length is 1.71 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(5)-O(1) bond length is 1.26 Å. The C(5)-O(2) bond length is 1.25 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(6)-O(3) bond length is 1.25 Å. The C(6)-O(4) bond length is 1.26 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(8), and one S(1) atom. The C(7)-C(11) bond length is 1.46 Å. The C(7)-C(8) bond length is 1.36 Å. The C(7)-S(1) bond length is 1.72 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(8)-H(3) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10) and one H(4) atom. The C(9)-C(10) bond length is 1.36 Å. The C(9)-H(4) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(12), one C(9), and one S(1) atom. The C(10)-C(12) bond length is 1.49 Å. The C(10)-S(1) bond length is 1.72 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(5), and one O(6) atom. The C(11)-O(5) bond length is 1.28 Å. The C(11)-O(6) bond length is 1.25 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(7), and one O(8) atom. The C(12)-O(7) bond length is 1.26 Å. The C(12)-O(8) bond length is 1.25 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(14), one C(17), and one S(2) atom. The C(13)-C(14) bond length is 1.36 Å. The C(13)-C(17) bond length is 1.46 Å. The C(13)-S(2) bond length is 1.71 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(5) atom. The C(14)-H(5) bond length is 0.95 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(6) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-H(6) bond length is 0.95 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(18), and one S(2) atom. The C(16)-C(18) bond length is 1.46 Å. The C(16)-S(2) bond length is 1.73 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(10), and one O(9) atom. The C(17)-O(10) bond length is 1.25 Å. The C(17)-O(9) bond length is 1.27 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(11), and one O(12) atom. The C(18)-O(11) bond length is 1.26 Å. The C(18)-O(12) bond length is 1.25 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(10) and one C(7) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one C(13) and one C(16) atom. In the third S site, S(3) is bonded in an L-shaped geometry to one C(1) and one C(4) atom. There are twelve inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one C(17) atom. In the second O site, O(10) is bonded in an L-shaped geometry to one Mn(3) and one C(17) atom. In the third O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one C(18) atom. In the fourth O site, O(12) is bonded in a water-like geometry to one Mn(1) and one C(18) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one C(5) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(5) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one C(6) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(6) atom. In the ninth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one C(11) atom. In the tenth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one C(11) atom. In the eleventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one C(12) atom. In the twelfth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one C(12) atom. Linkers: 12 [O]C(=O)c1ccc(C([O])=O)s1. Metal clusters: 12 [Mn]. The MOF has largest included sphere 5.76 A, density 1.22 g/cm3, surface area 3579.73 m2/g, accessible volume 0.38 cm3/g