NiC8H12(N2O3)2(H2CS)2 is Indium-derived structured and crystallizes in the trigonal P3_121 space group. The structure is zero-dimensional and consists of six dimethyl disulfide molecules and six NiC8H12(N2O3)2 clusters. In each NiC8H12(N2O3)2 cluster, Ni(1) is bonded in an octahedral geometry to one N(3), one N(4), one O(1), one O(2), one O(3), and one O(5) atom. The Ni(1)-N(3) bond length is 2.03 Å. The Ni(1)-N(4) bond length is 1.99 Å. The Ni(1)-O(1) bond length is 2.10 Å. The Ni(1)-O(2) bond length is 2.15 Å. The Ni(1)-O(3) bond length is 2.14 Å. The Ni(1)-O(5) bond length is 2.10 Å. There are eight inequivalent C sites. In the first C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one N(3), one H(15), and one H(16) atom. The C(7)-C(8) bond length is 1.52 Å. The C(7)-N(3) bond length is 1.47 Å. The C(7)-H(15) bond length is 1.10 Å. The C(7)-H(16) bond length is 1.10 Å. In the second C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one O(3) atom. The C(8)-N(1) bond length is 1.34 Å. The C(8)-O(3) bond length is 1.25 Å. In the third C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. The C(9)-O(4) bond length is 1.28 Å. The C(9)-O(5) bond length is 1.27 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(6) atom. The C(10)-O(1) bond length is 1.27 Å. The C(10)-O(6) bond length is 1.26 Å. In the fifth C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one N(4), one H(7), and one H(8) atom. The C(1)-C(3) bond length is 1.52 Å. The C(1)-N(4) bond length is 1.47 Å. The C(1)-H(7) bond length is 1.10 Å. The C(1)-H(8) bond length is 1.10 Å. In the sixth C site, C(2) is bonded in a distorted water-like geometry to one N(1) and one H(9) atom. The C(2)-N(1) bond length is 1.46 Å. The C(2)-H(9) bond length is 1.10 Å. In the seventh C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one O(2) atom. The C(3)-N(2) bond length is 1.33 Å. The C(3)-O(2) bond length is 1.26 Å. In the eighth C site, C(5) is bonded in a distorted water-like geometry to one N(2) and one H(12) atom. The C(5)-N(2) bond length is 1.45 Å. The C(5)-H(12) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(2), one C(8), and one H(1) atom. The N(1)-H(1) bond length is 1.01 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(3), one C(5), and one H(2) atom. The N(2)-H(2) bond length is 1.04 Å. In the third N site, N(3) is bonded to one Ni(1), one C(7), one H(3), and one H(4) atom to form distorted corner-sharing NNiH2C tetrahedra. The N(3)-H(3) bond length is 1.02 Å. The N(3)-H(4) bond length is 1.04 Å. In the fourth N site, N(4) is bonded to one Ni(1), one C(1), one H(5), and one H(6) atom to form distorted corner-sharing NNiH2C tetrahedra. The N(4)-H(5) bond length is 1.02 Å. The N(4)-H(6) bond length is 1.04 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) 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 N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(1) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(2) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(7) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(10) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ni(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ni(1) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one C(9) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(10) atom. Linkers: 6 NCC(=O)N[C@@H](CSSC[C@H](NC(=O)CN)C([O])=O)C([O])=O. Metal clusters: 6 [Ni]. RCSR code: sql. The MOF has largest included sphere 4.33 A, density 1.37 g/cm3, surface area 4199.81 m2/g, accessible volume 0.30 cm3/g