Cu3Zn2C20N5H18S3O7 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one N(3), one S(1), and one S(2) atom. The Cu(1)-N(3) bond length is 2.03 Å. The Cu(1)-S(1) bond length is 2.23 Å. The Cu(1)-S(2) bond length is 2.26 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one N(1), one S(1), and one S(3) atom. The Cu(2)-N(1) bond length is 2.01 Å. The Cu(2)-S(1) bond length is 2.27 Å. The Cu(2)-S(3) bond length is 2.21 Å. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one N(4), one S(2), and one S(3) atom. The Cu(3)-N(4) bond length is 2.03 Å. The Cu(3)-S(2) bond length is 2.22 Å. The Cu(3)-S(3) bond length is 2.25 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(2), one N(5), one O(2), one O(6), and two equivalent O(1) atoms to form ZnN2O4 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra and  an edgeedge with one Zn(1)N2O4 octahedra. The Zn(1)-N(2) bond length is 2.15 Å. The Zn(1)-N(5) bond length is 2.15 Å. The Zn(1)-O(2) bond length is 2.16 Å. The Zn(1)-O(6) bond length is 2.21 Å. There is one shorter (2.09 Å) and one longer (2.17 Å) Zn(1)-O(1) bond length. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-76°. The Zn(2)-O(1) bond length is 1.99 Å. The Zn(2)-O(3) bond length is 1.98 Å. The Zn(2)-O(5) bond length is 1.99 Å. The Zn(2)-O(7) bond length is 1.93 Å. There are twenty inequivalent C sites. In the first C site, C(19) is bonded in a distorted trigonal non-coplanar geometry to one N(5), one H(14), and one H(15) atom. The C(19)-N(5) bond length is 1.48 Å. The C(19)-H(14) bond length is 1.10 Å. The C(19)-H(15) bond length is 1.10 Å. In the second C site, C(20) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(16), and one H(17) atom. The C(20)-N(2) bond length is 1.48 Å. The C(20)-H(16) bond length is 1.10 Å. The C(20)-H(17) bond length is 1.10 Å. In the third C site, C(1) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(4) atom. The C(1)-C(10) bond length is 1.40 Å. The C(1)-C(14) bond length is 1.50 Å. The C(1)-C(4) bond length is 1.39 Å. In the fourth C site, C(2) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(5) atom. The C(2)-C(16) bond length is 1.49 Å. The C(2)-C(17) bond length is 1.40 Å. The C(2)-C(5) bond length is 1.40 Å. In the fifth C site, C(3) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(7) atom. The C(3)-C(12) bond length is 1.49 Å. The C(3)-C(13) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.40 Å. In the sixth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(3) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(3) bond length is 1.09 Å. In the seventh C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(3), and one H(6) atom. The C(5)-N(3) bond length is 1.34 Å. The C(5)-H(6) bond length is 1.09 Å. In the eighth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one S(3) atom. The C(6)-C(9) bond length is 1.40 Å. The C(6)-N(1) bond length is 1.36 Å. The C(6)-S(3) bond length is 1.75 Å. In the ninth C site, C(7) is bonded in a distorted single-bond geometry to one C(3) and one H(7) atom. The C(7)-H(7) bond length is 1.09 Å. In the tenth C site, C(8) is bonded in a distorted single-bond geometry to one C(15) and one H(8) atom. The C(8)-C(15) bond length is 1.41 Å. The C(8)-H(8) bond length is 1.09 Å. In the eleventh C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(9) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(9) bond length is 1.09 Å. In the twelfth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(1), one C(9), and one H(10) atom. The C(10)-H(10) bond length is 1.09 Å. In the thirteenth C site, C(11) is bonded in a distorted single-bond geometry to one C(18) and one H(11) atom. The C(11)-C(18) bond length is 1.41 Å. The C(11)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(5), and one O(6) atom. The C(12)-O(5) bond length is 1.29 Å. The C(12)-O(6) bond length is 1.26 Å. In the fifteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(3), one N(4), and one H(12) atom. The C(13)-N(4) bond length is 1.34 Å. The C(13)-H(12) bond length is 1.09 Å. In the sixteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(4), and one O(7) atom. The C(14)-O(4) bond length is 1.25 Å. The C(14)-O(7) bond length is 1.30 Å. In the seventeenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(8), one N(4), and one S(1) atom. The C(15)-N(4) bond length is 1.36 Å. The C(15)-S(1) bond length is 1.74 Å. In the eighteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(3) atom. The C(16)-O(2) bond length is 1.27 Å. The C(16)-O(3) bond length is 1.29 Å. In the nineteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(2) and one H(13) atom. The C(17)-H(13) bond length is 1.09 Å. In the twentieth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(11), one N(3), and one S(2) atom. The C(18)-N(3) bond length is 1.36 Å. The C(18)-S(2) bond length is 1.75 Å. There are five inequivalent N sites. In the first N site, N(5) is bonded to one Zn(1), one C(19), one H(4), and one H(5) atom to form distorted corner-sharing NZnH2C tetrahedra. The N(5)-H(4) bond length is 1.03 Å. The N(5)-H(5) bond length is 1.02 Å. In the second N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(13), and one C(15) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(18), and one C(5) atom. In the fourth N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(4), and one C(6) atom. In the fifth N site, N(2) is bonded to one Zn(1), one C(20), one H(1), and one H(2) atom to form distorted corner-sharing NZnH2C tetrahedra. The N(2)-H(1) bond length is 1.02 Å. The N(2)-H(2) bond length is 1.02 Å. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(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 N(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(13) 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(19) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(20) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one O(1) atom. The H(18)-O(1) bond length is 0.98 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one C(15) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one C(18) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one C(6) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zn(2), two equivalent Zn(1), and one H(18) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(16) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(16) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(14) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(12) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one C(12) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(14) atom. Linkers: 12 [O]C(=O)[C]1C=CC(=S)N=C1. Metal clusters: 8 [Zn] ,12 [Cu]. The MOF has largest included sphere 4.92 A, density 1.65 g/cm3, surface area 3341.71 m2/g, accessible volume 0.22 cm3/g