Zn2C40H18S(N2O5)2 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one O(1), and one O(4) atom. The Zn(1)-N(1) bond length is 2.03 Å. The Zn(1)-N(2) bond length is 2.07 Å. The Zn(1)-O(1) bond length is 1.93 Å. The Zn(1)-O(4) bond length is 1.96 Å. There are twenty 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 1.48 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.24 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(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.41 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 1.38 Å. The C(3)-H(1) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one S(1) atom. The C(4)-C(5) bond length is 1.35 Å. The C(4)-S(1) bond length is 1.77 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(5)-H(2) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(3) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.50 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.22 Å. The C(8)-O(4) bond length is 1.27 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(9)-N(1) bond length is 1.32 Å. The C(9)-H(4) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11) and one H(5) atom. The C(10)-C(11) bond length is 1.36 Å. The C(10)-H(5) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(12) atom. The C(11)-C(11) bond length is 1.53 Å. The C(11)-C(12) bond length is 1.37 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(6) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-H(6) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one N(1), and one H(7) atom. The C(13)-N(1) bond length is 1.34 Å. The C(13)-H(7) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(14)-N(2) bond length is 1.28 Å. The C(14)-H(8) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(9) atom. The C(15)-C(16) bond length is 1.35 Å. The C(15)-H(9) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a 4-coordinate geometry to one C(15), one C(16), one C(17), and one C(19) atom. The C(16)-C(16) bond length is 1.48 Å. The C(16)-C(17) bond length is 1.44 Å. The C(16)-C(19) bond length is 1.52 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one C(19) atom. The C(17)-C(18) bond length is 1.41 Å. The C(17)-C(19) bond length is 1.23 Å. In the eighteenth C site, C(18) is bonded in a 3-coordinate geometry to one C(17), one C(20), and one N(2) atom. The C(18)-C(20) bond length is 1.13 Å. The C(18)-N(2) bond length is 1.36 Å. In the nineteenth C site, C(19) is bonded in a 3-coordinate geometry to one C(16), one C(17), and one C(20) atom. The C(19)-C(20) bond length is 1.40 Å. In the twentieth C site, C(20) is bonded in a 3-coordinate geometry to one C(18), one C(19), and one N(2) atom. The C(20)-N(2) bond length is 1.38 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(13), and one C(9) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Zn(1), one C(14), one C(18), and one C(20) atom. There are nine 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(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) 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(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. S(1) is bonded in a distorted bent 120 degrees geometry to two equivalent C(4) and two equivalent O(5) atoms. Both S(1)-O(5) bond lengths are 1.45 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Zn(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. Linkers: 4 c1cc(-c2ccncc2)ccn1 ,4 [O]C(=O)c1ccc(S(=O)(=O)c2ccc(C([O])=O)c(C([O])=O)c2)cc1C([O])=O ,4 C1=CC2(C34C=CN5[C]6[C]5[C]3[C]64)[C]3[C]4[C]([C]32)N14. Metal clusters: 8 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 4.57 A, density 1.45 g/cm3, surface area 4302.83 m2/g, accessible volume 0.24 cm3/g