CuC20H16S3(N2O)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to two equivalent N(1), two equivalent N(3), and two equivalent O(1) atoms to form CuN4O2 octahedra that share corners with two equivalent S(2)O4 tetrahedra. Both Cu(1)-N(1) bond lengths are 2.03 Å. Both Cu(1)-N(3) bond lengths are 2.01 Å. Both Cu(1)-O(1) bond lengths are 2.29 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(2) bond length is 1.37 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(1), and one H(2) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-N(1) bond length is 1.38 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(3) atom. The C(3)-N(2) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5), one N(2), and one S(1) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-N(2) bond length is 1.41 Å. The C(4)-S(1) bond length is 1.74 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(4) atom. The C(5)-C(6) bond length is 1.42 Å. The C(5)-H(4) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(5) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one N(4), and one S(1) atom. The C(7)-N(4) bond length is 1.40 Å. The C(7)-S(1) bond length is 1.74 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(6) atom. The C(8)-N(3) bond length is 1.33 Å. The C(8)-N(4) bond length is 1.37 Å. The C(8)-H(6) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(3), and one H(7) atom. The C(9)-C(10) bond length is 1.37 Å. The C(9)-N(3) bond length is 1.38 Å. The C(9)-H(7) bond length is 1.08 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(4), and one H(8) atom. The C(10)-N(4) bond length is 1.39 Å. The C(10)-H(8) bond length is 1.08 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(8), and one C(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(8) atom. There are eight 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(3) 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(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(4) and one C(7) atom. In the second S site, S(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Cu(1)N4O2 octahedra. The corner-sharing octahedral tilt angles are 20°. Both S(2)-O(1) bond lengths are 1.50 Å. Both S(2)-O(2) bond lengths are 1.49 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. Linkers: 4 c1cn(-c2ccc(-n3ccnc3)s2)cn1. Metal clusters: 2 [Cu]. The MOF has largest included sphere 3.66 A, density 1.44 g/cm3, surface area 3927.51 m2/g, accessible volume 0.26 cm3/g