CuC22H28S2(N2O)4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuC22H28S2(N2O)4 cluster. Cu(1) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent O(2) atoms. Both Cu(1)-N(1) bond lengths are 1.96 Å. Both Cu(1)-N(2) bond lengths are 2.03 Å. Both Cu(1)-O(2) bond lengths are 2.61 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one N(1) and one S(1) atom. The C(1)-N(1) bond length is 1.19 Å. The C(1)-S(1) bond length is 1.61 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(3), and one O(1) atom. The C(2)-C(3) bond length is 1.52 Å. The C(2)-N(3) bond length is 1.38 Å. The C(2)-O(1) bond length is 1.23 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one C(2), one H(2), and one H(3) atom. The C(3)-H(2) bond length is 1.10 Å. The C(3)-H(3) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one C(8), and one N(3) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(8) bond length is 1.40 Å. The C(4)-N(3) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(4) atom. The C(5)-N(2) 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 distorted bent 120 degrees geometry to one C(7), one N(2), and one H(5) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.35 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 C(8), and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(4), one C(7), and one H(7) atom. The C(8)-H(7) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(4), one H(8), and one O(2) atom. The C(9)-N(4) bond length is 1.34 Å. The C(9)-H(8) bond length is 1.11 Å. The C(9)-O(2) bond length is 1.25 Å. In the tenth C site, C(10) is bonded to one N(4), one H(10), one H(11), and one H(9) atom to form corner-sharing CH3N tetrahedra. The C(10)-N(4) bond length is 1.45 Å. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(11) bond length is 1.10 Å. The C(10)-H(9) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded to one N(4), one H(12), one H(13), and one H(14) atom to form corner-sharing CH3N tetrahedra. The C(11)-N(4) bond length is 1.46 Å. The C(11)-H(12) bond length is 1.10 Å. The C(11)-H(13) bond length is 1.09 Å. The C(11)-H(14) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(5), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one H(1) atom. The N(3)-H(1) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(9) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) 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(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(7) atom. 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(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(11) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(11) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(11) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(1) and one C(9) atom. Linkers: 2 [N][CH]/C(=[NH]/C(=O)CCC(=O)Nc1cccnc1)/[CH] ,1 O=C(CCC(=O)Nc1cccnc1)Nc1cccnc1. Metal clusters: 1 S=C=N[Cu]N=C=S. The MOF has largest included sphere 4.34 A, density 1.14 g/cm3, surface area 5378.14 m2/g, accessible volume 0.41 cm3/g