CuC11H12S(N2O3)2 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one N(1), one N(4), one O(2), one O(5), and one O(6) atom to form CuN2O3 square pyramids that share corners with two equivalent S(1)O4 tetrahedra. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(4) bond length is 2.00 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(5) bond length is 2.25 Å. The Cu(1)-O(6) bond length is 2.04 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(2) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-N(2) bond length is 1.39 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(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(2), one N(3), and one O(1) atom. The C(6)-N(2) bond length is 1.37 Å. The C(6)-N(3) bond length is 1.37 Å. The C(6)-O(1) bond length is 1.26 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(11), one C(8), and one N(3) atom. The C(7)-C(11) bond length is 1.41 Å. The C(7)-C(8) bond length is 1.40 Å. The C(7)-N(3) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(4), and one H(7) atom. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(7) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(4), and one H(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-N(4) bond length is 1.34 Å. The C(9)-H(8) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one H(9) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-H(9) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(7), and one H(10) atom. The C(11)-H(10) bond length is 1.09 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(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one C(6), and one H(5) atom. The N(2)-H(5) bond length is 1.05 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(6), one C(7), and one H(6) atom. The N(3)-H(6) bond length is 1.06 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(8), and one C(9) atom. There are twelve 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(3) 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 C(5) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one N(2) and one O(4) atom. The H(5)-O(4) bond length is 1.70 Å. In the sixth H site, H(6) is bonded in a linear geometry to one N(3) and one O(3) atom. The H(6)-O(3) bond length is 1.63 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(6) atom. The H(11)-O(6) bond length is 0.99 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) atom. The H(12)-O(6) bond length is 0.99 Å. S(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)N2O3 square pyramids. The S(1)-O(2) bond length is 1.52 Å. The S(1)-O(3) bond length is 1.49 Å. The S(1)-O(4) bond length is 1.48 Å. The S(1)-O(5) bond length is 1.49 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted water-like geometry to one H(5) and one S(1) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Cu(1), one H(11), and one H(12) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one C(6) atom. In the fifth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a water-like geometry to one H(6) and one S(1) atom. Linkers: 4 O=C(Nc1cccnc1)Nc1cccnc1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 3.79 A, density 1.70 g/cm3, surface area 3993.28 m2/g, accessible volume 0.18 cm3/g