PbC12H12(SO)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. The Pb(1)-O(2) bond length is 2.52 Å. The Pb(1)-O(3) bond length is 2.35 Å. The Pb(1)-O(5) bond length is 2.56 Å. There is one shorter (2.69 Å) and one longer (2.71 Å) Pb(1)-O(1) bond length. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Pb(2)-O(4) bond lengths are 2.59 Å. Both Pb(2)-O(5) bond lengths are 2.55 Å. Both Pb(2)-O(6) bond lengths are 2.62 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.41 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(1) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-S(1) bond length is 1.78 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one S(2) atom. The C(4)-S(2) bond length is 1.78 Å. In the fifth C site, C(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. The C(5)-H(1) bond length is 1.10 Å. The C(5)-H(2) bond length is 1.10 Å. The C(5)-H(3) bond length is 1.10 Å. The C(5)-S(1) bond length is 1.81 Å. In the sixth C site, C(6) is bonded in a trigonal non-coplanar geometry to one H(4), one H(5), one H(6), and one S(2) atom. The C(6)-H(4) bond length is 1.10 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.10 Å. The C(6)-S(2) bond length is 1.82 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(3), and one O(4) atom. The C(7)-C(8) bond length is 1.51 Å. The C(7)-O(3) bond length is 1.28 Å. The C(7)-O(4) bond length is 1.26 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. The C(8)-C(10) bond length is 1.41 Å. The C(8)-C(9) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(8), and one S(3) atom. The C(9)-C(10) bond length is 1.41 Å. The C(9)-S(3) bond length is 1.78 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(8), one C(9), and one S(4) atom. The C(10)-S(4) bond length is 1.77 Å. In the eleventh C site, C(11) is bonded in a trigonal non-coplanar geometry to one H(7), one H(8), one H(9), and one S(3) atom. The C(11)-H(7) bond length is 1.10 Å. The C(11)-H(8) bond length is 1.10 Å. The C(11)-H(9) bond length is 1.09 Å. The C(11)-S(3) bond length is 1.81 Å. In the twelfth C site, C(12) is bonded in a trigonal non-coplanar geometry to one H(10), one H(11), one H(12), and one S(4) atom. The C(12)-H(10) bond length is 1.10 Å. The C(12)-H(11) bond length is 1.10 Å. The C(12)-H(12) bond length is 1.09 Å. The C(12)-S(4) bond length is 1.81 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(5), and one O(6) atom. The C(13)-C(14) bond length is 1.50 Å. The C(13)-O(5) bond length is 1.29 Å. The C(13)-O(6) bond length is 1.26 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(16) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-C(16) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one S(5) atom. The C(15)-C(16) bond length is 1.41 Å. The C(15)-S(5) bond length is 1.78 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(14), one C(15), and one S(6) atom. The C(16)-S(6) bond length is 1.78 Å. In the seventeenth C site, C(17) is bonded in a trigonal non-coplanar geometry to one H(13), one H(14), one H(15), and one S(5) atom. The C(17)-H(13) bond length is 1.09 Å. The C(17)-H(14) bond length is 1.10 Å. The C(17)-H(15) bond length is 1.09 Å. The C(17)-S(5) bond length is 1.81 Å. In the eighteenth C site, C(18) is bonded in a trigonal non-coplanar geometry to one H(17); two equivalent H(16,18); and one S(6) atom. The C(18)-H(17) bond length is 1.10 Å. Both C(18)-H(16,18) bond lengths are 1.10 Å. The C(18)-S(6) bond length is 1.81 Å. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) 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 single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(17) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(17) atom. In the sixteenth H site, H(16,18) is bonded in a single-bond geometry to one C(18) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(18) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(3) and one C(5) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(4) and one C(6) atom. In the third S site, S(3) is bonded in a water-like geometry to one C(11) and one C(9) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one C(10) and one C(12) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one C(15) and one C(17) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one C(16) and one C(18) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Pb(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Pb(1) and one C(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one C(7) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one C(13) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Pb(2) and one C(13) atom. Linkers: 6 CSc1c(SC)c(C([O])=O)c(SC)c(SC)c1C([O])=O. Metal clusters: 6 [Pb]. The MOF has largest included sphere 6.48 A, density 1.76 g/cm3, surface area 3170.77 m2/g, accessible volume 0.22 cm3/g