CuC24H24S3(NO)4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent O(1) atoms to form CuN4O2 octahedra that share corners with two equivalent S(1)O4 tetrahedra. Both Cu(1)-N(1) bond lengths are 2.03 Å. Both Cu(1)-N(2) bond lengths are 2.02 Å. Both Cu(1)-O(1) bond lengths are 2.53 Å. There are twelve inequivalent C sites. In the first C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.49 Å. The C(8)-C(7) bond length is 1.41 Å. The C(8)-C(9) bond length is 1.40 Å. In the second C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one H(7) atom. The C(9)-N(2) bond length is 1.34 Å. The C(9)-H(7) bond length is 1.09 Å. In the third C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(8) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(8) bond length is 1.09 Å. In the fourth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(7), and one H(9) atom. The C(11)-C(7) bond length is 1.40 Å. The C(11)-H(9) bond length is 1.09 Å. In the fifth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(10), one H(11), and one H(12) atom. The C(12)-H(10) bond length is 1.10 Å. The C(12)-H(11) bond length is 1.10 Å. The C(12)-H(12) bond length is 1.10 Å. In the sixth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the seventh C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the eighth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one S(2) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-S(2) bond length is 1.76 Å. In the ninth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-C(6) bond length is 1.50 Å. In the tenth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(3) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the eleventh C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one H(4), one H(5), and one H(6) atom. The C(6)-H(4) bond length is 1.10 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.10 Å. In the twelfth C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(8), and one S(2) atom. The C(7)-S(2) bond length is 1.78 Å. There are two 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 Cu(1), one C(10), 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) 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(6) 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. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. There are two inequivalent S sites. In the first S site, S(1) 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 30°. Both S(1)-O(1) bond lengths are 1.51 Å. Both S(1)-O(2) bond lengths are 1.48 Å. In the second S site, S(2) is bonded in a water-like geometry to one C(3) and one C(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. Linkers: 4 Cc1cnccc1Sc1ccncc1C. Metal clusters: 2 [Cu]. The MOF has largest included sphere 3.59 A, density 1.44 g/cm3, surface area 4397.04 m2/g, accessible volume 0.21 cm3/g