Zn4C18N20H15SO7 crystallizes in the monoclinic C2 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(4), and one N(7) atom. The Zn(1)-N(1) bond length is 2.01 Å. The Zn(1)-N(2) bond length is 1.98 Å. The Zn(1)-N(4) bond length is 1.98 Å. The Zn(1)-N(7) bond length is 1.96 Å. In the second Zn site, Zn(2,4) is bonded in a distorted square pyramidal geometry to one N(3,13); one N(5,15); one N(6,16); one O(1,4); and one O(2,5) atom. The Zn(2,4)-N(3,13) bond length is 2.16 Å. The Zn(2,4)-N(5,15) bond length is 2.04 Å. The Zn(2,4)-N(6,16) bond length is 2.02 Å. The Zn(2,4)-O(1,4) bond length is 2.10 Å. The Zn(2,4)-O(2,5) bond length is 2.41 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(11), one N(12), one N(14), and one N(17) atom. The Zn(3)-N(11) bond length is 2.01 Å. The Zn(3)-N(12) bond length is 1.98 Å. The Zn(3)-N(14) bond length is 1.98 Å. The Zn(3)-N(17) bond length is 1.96 Å. There are eleven inequivalent C sites. In the first C site, C(1,9) is bonded in a trigonal planar geometry to one C(17); one C(2,10); and one C(3,11) atom. The C(1,9)-C(17) bond length is 1.39 Å. The C(1,9)-C(2,10) bond length is 1.39 Å. The C(1,9)-C(3,11) bond length is 1.50 Å. In the second C site, C(2,10) is bonded in a distorted single-bond geometry to one C(1,9); one C(16); and one H(1,8) atom. The C(2,10)-C(16) bond length is 1.38 Å. The C(2,10)-H(1,8) bond length is 0.93 Å. In the third C site, C(3,11) is bonded in a distorted bent 120 degrees geometry to one C(1,9); one O(1,4); and one O(2,5) atom. The C(3,11)-O(1,4) bond length is 1.25 Å. The C(3,11)-O(2,5) bond length is 1.25 Å. In the fourth C site, C(4,12) is bonded in a trigonal planar geometry to one N(2); one N(3,13); and one N(8,18) atom. The C(4,12)-N(2) bond length is 1.33 Å. The C(4,12)-N(3,13) bond length is 1.35 Å. The C(4,12)-N(8,18) bond length is 1.37 Å. In the fifth C site, C(5,13) is bonded in a trigonal planar geometry to one N(1); one N(3,13); and one H(2,9) atom. The C(5,13)-N(1) bond length is 1.31 Å. The C(5,13)-N(3,13) bond length is 1.34 Å. The C(5,13)-H(2,9) bond length is 0.93 Å. In the sixth C site, C(6,14) is bonded in a trigonal planar geometry to one N(4); one N(6,16); and one H(3,10) atom. The C(6,14)-N(4) bond length is 1.35 Å. The C(6,14)-N(6,16) bond length is 1.31 Å. The C(6,14)-H(3,10) bond length is 0.93 Å. In the seventh C site, C(7,15) is bonded in a trigonal planar geometry to one N(4); one N(5,15); and one N(9,19) atom. The C(7,15)-N(4) bond length is 1.34 Å. The C(7,15)-N(5,15) bond length is 1.32 Å. The C(7,15)-N(9,19) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a water-like geometry to one N(10) and one N(7) atom. The C(8)-N(10) bond length is 1.27 Å. The C(8)-N(7) bond length is 1.42 Å. In the ninth C site, C(16) is bonded in a trigonal planar geometry to two equivalent C(2,10) and one S(1) atom. The C(16)-S(1) bond length is 1.78 Å. In the tenth C site, C(17) is bonded in a distorted single-bond geometry to two equivalent C(1,9) and one H(15) atom. The C(17)-H(15) bond length is 0.93 Å. In the eleventh C site, C(18) is bonded in a trigonal planar geometry to one N(17), one N(20), and one N(7) atom. The C(18)-N(17) bond length is 1.30 Å. The C(18)-N(20) bond length is 1.40 Å. The C(18)-N(7) bond length is 1.30 Å. There are fifteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1); one C(5,13); and one N(2) atom. The N(1)-N(2) bond length is 1.39 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Zn(1); one C(4,12); and one N(1) atom. In the third N site, N(3,13) is bonded in a trigonal planar geometry to one Zn(2,4); one C(4,12); and one C(5,13) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1); one C(6,14); and one C(7,15) atom. In the fifth N site, N(5,15) is bonded in a distorted trigonal planar geometry to one Zn(2,4); one C(7,15); and one N(6,16) atom. The N(5,15)-N(6,16) bond length is 1.38 Å. In the sixth N site, N(6,16) is bonded in a distorted trigonal planar geometry to one Zn(2,4); one C(6,14); and one N(5,15) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(18), and one C(8) atom. In the eighth N site, N(8,18) is bonded in a trigonal planar geometry to one C(4,12) and two equivalent H(4,5,11,12) atoms. Both N(8,18)-H(4,5,11,12) bond lengths are 0.86 Å. In the ninth N site, N(9,19) is bonded in a trigonal planar geometry to one C(7,15) and two equivalent H(6,7,13,14) atoms. Both N(9,19)-H(6,7,13,14) bond lengths are 0.86 Å. In the tenth N site, N(10) is bonded in a water-like geometry to one C(8) and one N(17) atom. The N(10)-N(17) bond length is 1.42 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Zn(3); one C(5,13); and one N(12) atom. The N(11)-C(5,13) bond length is 1.31 Å. The N(11)-N(12) bond length is 1.39 Å. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Zn(3); one C(4,12); and one N(11) atom. The N(12)-C(4,12) bond length is 1.33 Å. In the thirteenth N site, N(14) is bonded in a trigonal planar geometry to one Zn(3); one C(6,14); and one C(7,15) atom. The N(14)-C(6,14) bond length is 1.35 Å. The N(14)-C(7,15) bond length is 1.34 Å. In the fourteenth N site, N(17) is bonded in a 3-coordinate geometry to one Zn(3), one C(18), and one N(10) atom. In the fifteenth N site, N(20) is bonded in a single-bond geometry to one C(18) atom. There are six inequivalent H sites. In the first H site, H(1,8) is bonded in a single-bond geometry to one C(2,10) atom. In the second H site, H(2,9) is bonded in a single-bond geometry to one C(5,13) atom. In the third H site, H(3,10) is bonded in a single-bond geometry to one C(6,14) atom. In the fourth H site, H(4,5,11,12) is bonded in a single-bond geometry to one N(8,18) atom. In the fifth H site, H(6,7,13,14) is bonded in a single-bond geometry to one N(9,19) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one C(17) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one C(16); one O(7); and two equivalent O(3,6) atoms. The S(1)-O(7) bond length is 1.42 Å. Both S(1)-O(3,6) bond lengths are 1.44 Å. There are four inequivalent O sites. In the first O site, O(1,4) is bonded in a water-like geometry to one Zn(2,4) and one C(3,11) atom. In the second O site, O(2,5) is bonded in a distorted single-bond geometry to one Zn(2,4) and one C(3,11) atom. In the third O site, O(3,6) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(7) is bonded in a single-bond geometry to one S(1) atom. Linkers: 5 [O]C(=O)c1cc(C([O])=O)cc(S([O])([O])[O])c1 ,3 [N]C1=NN=[C][N]1 ,1 [N]C1=N[C]=N[N]1 ,7 NC1=NN=C[N]1 ,1 NC1=NC=N[N]1 ,8 NC1=[N]=CN=N1. Metal clusters: 4 [N]1[N][Zn][N][N][Zn]1 ,4 O=[C]O[Zn]1=NN=[Zn](O[C]=O)N=N1. The MOF has largest included sphere 4.11 A, density 1.73 g/cm3, surface area 3572.00 m2/g, accessible volume 0.20 cm3/g