CoC16H18S2(NO)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CoC16H18S2(NO)6 cluster. Co(1) is bonded in an octahedral geometry to two equivalent N(3), two equivalent O(1), and two equivalent O(3) atoms. Both Co(1)-N(3) bond lengths are 1.99 Å. Both Co(1)-O(1) bond lengths are 2.09 Å. Both Co(1)-O(3) bond lengths are 2.16 Å. There are eight inequivalent C sites. In the first 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 1.38 Å. The C(1)-N(1) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.09 Å. In the second 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 third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.49 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 1.38 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 1.36 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(3), one N(2), and one O(2) atom. The C(6)-N(2) bond length is 1.34 Å. The C(6)-O(2) bond length is 1.26 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(5), and one H(6) atom. The C(7)-N(2) bond length is 1.44 Å. The C(7)-H(5) bond length is 1.10 Å. The C(7)-H(6) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one N(3) and one S(1) atom. The C(8)-N(3) bond length is 1.18 Å. The C(8)-S(1) bond length is 1.63 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(5), and one O(1) atom. The N(1)-O(1) bond length is 1.32 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(6), one C(7), and one H(7) atom. The N(2)-H(7) bond length is 1.03 Å. In the third N site, N(3) is bonded in a linear geometry to one Co(1) and one C(8) atom. There are nine 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(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 single-bond geometry to one C(7) 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 N(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(3) atom. The H(8)-O(3) bond length is 1.00 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) atom. The H(9)-O(3) bond length is 0.98 Å. S(1) is bonded in a single-bond geometry to one C(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one C(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Co(1), one H(8), and one H(9) atom. Linkers: 1 O=C(NCCNC(=O)c1cc[n+]([O-])cc1)c1cc[n+]([O-])cc1. Metal clusters: 1 [Co]. The MOF has largest included sphere 2.82 A, density 1.54 g/cm3, surface area 4346.16 m2/g, accessible volume 0.15 cm3/g