PbC21N3H17S2O8 crystallizes in the triclinic P-1 space group. The structure consists of a PbC21N3H17S2O8 framework. Pb(1) is bonded in a distorted pentagonal bipyramidal geometry to one N(1), one N(3), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. The Pb(1)-N(1) bond length is 2.64 Å. The Pb(1)-N(3) bond length is 2.66 Å. The Pb(1)-O(2) bond length is 2.61 Å. The Pb(1)-O(3) bond length is 2.62 Å. The Pb(1)-O(5) bond length is 2.69 Å. The Pb(1)-O(7) bond length is 2.75 Å. The Pb(1)-O(8) bond length is 2.79 Å. There are twenty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) 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 C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.48 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-N(2) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(5) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(16), one C(7), and one C(9) atom. The C(8)-C(16) bond length is 1.48 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(6) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one N(2) atom. The C(10)-C(11) bond length is 1.48 Å. The C(10)-N(2) bond length is 1.34 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(15) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.40 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one H(7) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(7) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(3), and one H(8) atom. The C(13)-N(3) bond length is 1.35 Å. The C(13)-H(8) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(15), one N(3), and one H(9) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-N(3) bond length is 1.34 Å. The C(14)-H(9) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(11), one C(14), and one H(10) atom. The C(15)-H(10) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(8) atom. The C(16)-C(17) bond length is 1.41 Å. The C(16)-C(21) bond length is 1.41 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one S(1) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-S(1) bond length is 1.80 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(11) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-H(11) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one S(2) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-S(2) bond length is 1.78 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(12) atom. The C(20)-H(12) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(16) and one H(13) atom. The C(21)-H(13) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(10) and one C(6) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one C(13), and one C(14) atom. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(18) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(2) atom. The H(14)-O(2) bond length is 0.99 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(2) atom. The H(15)-O(2) bond length is 0.99 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(3) atom. The H(16)-O(3) bond length is 0.99 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(3) atom. The H(17)-O(3) bond length is 0.99 Å. 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(17), one O(1), one O(4), and one O(5) atom. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(4) bond length is 1.45 Å. The S(1)-O(5) bond length is 1.48 Å. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one C(19), one O(6), one O(7), and one O(8) atom. The S(2)-O(6) bond length is 1.47 Å. The S(2)-O(7) bond length is 1.49 Å. The S(2)-O(8) bond length is 1.47 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Pb(1), one H(14), and one H(15) atom. In the third O site, O(3) is bonded in a water-like geometry to one Pb(1), one H(16), and one H(17) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Pb(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Pb(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Pb(1) and one S(2) atom. Linkers: 2 [O]S([O])([O])c1cc([S]=O)ccc1-c1cc(-c2ccncc2)nc(-c2ccncc2)c1. Metal clusters: 2 O.O.O=S(=O)=O.O=S(=O)=O.[Pb]. The MOF has largest included sphere 2.55 A, density 2.08 g/cm3, surface area 3312.24 m2/g, accessible volume 0.10 cm3/g