Zn4C51N3H39S3O16 crystallizes in the monoclinic C2/m space group. The structure consists of a Zn4C51N3H39S3O16 framework. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 1.96 Å. The Zn(1)-O(4) bond length is 1.96 Å. Both Zn(1)-O(2) bond lengths are 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(1) bond length is 1.96 Å. The Zn(2)-O(3) bond length is 1.96 Å. The Zn(2)-O(5) bond length is 1.96 Å. The Zn(2)-O(6) bond length is 1.96 Å. In the third Zn site, Zn(3) is bonded to one O(1), one O(8), and two equivalent O(7) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(1) bond length is 1.97 Å. The Zn(3)-O(8) bond length is 1.95 Å. Both Zn(3)-O(7) bond lengths are 1.96 Å. There are thirty-two inequivalent C sites. In the first C site, C(27) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one O(9) atom. The C(27)-N(1) bond length is 1.35 Å. The C(27)-S(1) bond length is 1.65 Å. The C(27)-O(9) bond length is 1.38 Å. In the second C site, C(28) is bonded to one N(1), one H(13), one H(14), and one H(15) atom to form corner-sharing CH3N tetrahedra. The C(28)-N(1) bond length is 1.45 Å. The C(28)-H(13) bond length is 1.09 Å. The C(28)-H(14) bond length is 1.10 Å. The C(28)-H(15) bond length is 1.10 Å. In the third C site, C(29) is bonded to one N(1), one H(16), one H(17), and one H(18) atom to form corner-sharing CH3N tetrahedra. The C(29)-N(1) bond length is 1.46 Å. The C(29)-H(16) bond length is 1.10 Å. The C(29)-H(17) bond length is 1.09 Å. The C(29)-H(18) bond length is 1.10 Å. In the fourth C site, C(30) is bonded in a distorted water-like geometry to one N(2), one S(2), and one O(10) atom. The C(30)-N(2) bond length is 1.36 Å. The C(30)-S(2) bond length is 1.66 Å. The C(30)-O(10) bond length is 1.38 Å. In the fifth C site, C(31) is bonded to one N(2), one H(20), and two equivalent H(19) atoms to form corner-sharing CH3N tetrahedra. The C(31)-N(2) bond length is 1.46 Å. The C(31)-H(20) bond length is 1.09 Å. Both C(31)-H(19) bond lengths are 1.10 Å. In the sixth C site, C(32) is bonded to one N(2), one H(22), and two equivalent H(21) atoms to form corner-sharing CH3N tetrahedra. The C(32)-N(2) bond length is 1.46 Å. The C(32)-H(22) bond length is 1.09 Å. Both C(32)-H(21) bond lengths are 1.10 Å. In the seventh C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2) and two equivalent O(3) atoms. The C(1)-C(2) bond length is 1.49 Å. Both C(1)-O(3) bond lengths are 1.28 Å. In the eighth C site, C(2) is bonded in a trigonal planar geometry to one C(1) and two equivalent C(19) atoms. Both C(2)-C(19) bond lengths are 1.40 Å. In the ninth C site, C(3) is bonded in a trigonal planar geometry to one C(17), one C(4), and one C(6) atom. The C(3)-C(17) bond length is 1.41 Å. The C(3)-C(4) bond length is 1.49 Å. The C(3)-C(6) bond length is 1.40 Å. In the tenth C site, C(4) is bonded in a trigonal planar geometry to one C(3) and two equivalent C(20) atoms. Both C(4)-C(20) bond lengths are 1.40 Å. In the eleventh C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(2), and one O(5) atom. The C(5)-C(23) bond length is 1.49 Å. The C(5)-O(2) bond length is 1.28 Å. The C(5)-O(5) bond length is 1.28 Å. In the twelfth C site, C(6) is bonded in a distorted single-bond geometry to one C(3) and one H(1) atom. The C(6)-H(1) bond length is 1.09 Å. In the thirteenth C site, C(7) is bonded in a distorted single-bond geometry to one C(16) and one H(2) atom. The C(7)-C(16) bond length is 1.40 Å. The C(7)-H(2) bond length is 1.09 Å. In the fourteenth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(4), and one O(8) atom. The C(8)-C(16) bond length is 1.49 Å. The C(8)-O(4) bond length is 1.28 Å. The C(8)-O(8) bond length is 1.27 Å. In the fifteenth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(15) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.40 Å. The C(9)-C(15) bond length is 1.49 Å. In the sixteenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(3) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-H(3) bond length is 1.09 Å. In the seventeenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one O(9) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-O(9) bond length is 1.40 Å. In the eighteenth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(26) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(26) bond length is 1.48 Å. In the nineteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(4) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(4) bond length is 1.09 Å. In the twentieth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(9), and one H(5) atom. The C(14)-H(5) bond length is 1.09 Å. In the twenty-first C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(6), and one O(7) atom. The C(15)-O(6) bond length is 1.28 Å. The C(15)-O(7) bond length is 1.28 Å. In the twenty-second C site, C(16) is bonded in a trigonal planar geometry to one C(18), one C(7), and one C(8) atom. The C(16)-C(18) bond length is 1.40 Å. In the twenty-third C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one C(3), and one O(10) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-O(10) bond length is 1.39 Å. In the twenty-fourth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(16), one C(17), and one H(6) atom. The C(18)-H(6) bond length is 1.08 Å. In the twenty-fifth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(2), one C(20), and one H(7) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-H(7) bond length is 1.09 Å. In the twenty-sixth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(4), and one H(8) atom. The C(20)-H(8) bond length is 1.09 Å. In the twenty-seventh C site, C(21) is bonded in a distorted trigonal planar geometry to one C(22), one C(26), and one H(9) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(26) bond length is 1.40 Å. The C(21)-H(9) bond length is 1.09 Å. In the twenty-eighth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(10) atom. The C(22)-C(23) bond length is 1.40 Å. The C(22)-H(10) bond length is 1.09 Å. In the twenty-ninth C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(5) atom. The C(23)-C(24) bond length is 1.40 Å. In the thirtieth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(23), one C(25), and one H(11) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(11) bond length is 1.09 Å. In the thirty-first C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(26), and one H(12) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-H(12) bond length is 1.09 Å. In the thirty-second C site, C(26) is bonded in a trigonal planar geometry to one C(12), one C(21), and one C(25) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(27), one C(28), and one C(29) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(30), one C(31), and one C(32) atom. There are twenty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(13) 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(18) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(20) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(25) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(28) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(29) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(31) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(32) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(32) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a single-bond geometry to one C(30) atom. In the second S site, S(1) is bonded in a single-bond geometry to one C(27) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(15) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(15) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one C(8) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one C(11) and one C(27) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one C(17) and one C(30) atom. Linkers: 6 CN(C)C(=S)Oc1cc(C([O])=O)ccc1-c1ccc(C([O])=O)cc1. Metal clusters: 2 [C]1O[Zn]2O[C]O[Zn@]34O[C]O[Zn](O1)O[C]O[Zn@](O[C]O2)(O[C]O3)O4. RCSR code: pcu. The MOF has largest included sphere 6.80 A, density 0.84 g/cm3, surface area 4646.07 m2/g, accessible volume 0.72 cm3/g