CoC7H4S(NO)2(CH)2 crystallizes in the triclinic P-1 space group. The structure consists of twelve 02329_fluka molecules inside a CoC7H4S(NO)2 framework. In the CoC7H4S(NO)2 framework, there are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to one N(1), one N(5), one O(3), and one O(5) atom. The Co(1)-N(1) bond length is 1.96 Å. The Co(1)-N(5) bond length is 1.95 Å. The Co(1)-O(3) bond length is 1.97 Å. The Co(1)-O(5) bond length is 1.94 Å. In the second Co site, Co(2) is bonded in a tetrahedral geometry to one N(2), one N(6), one O(1), and one O(6) atom. The Co(2)-N(2) bond length is 1.95 Å. The Co(2)-N(6) bond length is 1.95 Å. The Co(2)-O(1) bond length is 1.97 Å. The Co(2)-O(6) bond length is 1.94 Å. In the third Co site, Co(3) is bonded in a tetrahedral geometry to one N(3), one N(4), one O(2), and one O(4) atom. The Co(3)-N(3) bond length is 1.95 Å. The Co(3)-N(4) bond length is 1.95 Å. The Co(3)-O(2) bond length is 1.97 Å. The Co(3)-O(4) bond length is 1.94 Å. There are twenty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(10) and one H(1,2) atom. The C(1)-C(10) bond length is 1.40 Å. The C(1)-H(1,2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(11) and one H(1,2) atom. The C(2)-C(11) bond length is 1.40 Å. The C(2)-H(1,2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(12) and one H(3) atom. The C(3)-C(12) bond length is 1.40 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one N(1), one N(4), and one S(1) atom. The C(4)-N(1) bond length is 1.36 Å. The C(4)-N(4) bond length is 1.36 Å. The C(4)-S(1) bond length is 1.74 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one N(2), one N(5), and one S(2) atom. The C(5)-N(2) bond length is 1.36 Å. The C(5)-N(5) bond length is 1.35 Å. The C(5)-S(2) bond length is 1.74 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(3), one N(6), and one S(3) atom. The C(6)-N(3) bond length is 1.36 Å. The C(6)-N(6) bond length is 1.35 Å. The C(6)-S(3) bond length is 1.74 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(10), one C(16), and one N(4) atom. The C(7)-C(10) bond length is 1.42 Å. The C(7)-C(16) bond length is 1.40 Å. The C(7)-N(4) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(11), one C(17), and one N(5) atom. The C(8)-C(11) bond length is 1.42 Å. The C(8)-C(17) bond length is 1.40 Å. The C(8)-N(5) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(12), one C(18), and one N(6) atom. The C(9)-C(12) bond length is 1.42 Å. The C(9)-C(18) bond length is 1.40 Å. The C(9)-N(6) bond length is 1.39 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one N(1) atom. The C(10)-N(1) bond length is 1.39 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(2), one C(8), and one N(2) atom. The C(11)-N(2) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(3), one C(9), and one N(3) atom. The C(12)-N(3) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted water-like geometry to one C(25); one H(4); one H(7,8); and one S(1) atom. The C(13)-C(25) bond length is 1.51 Å. The C(13)-H(4) bond length is 1.10 Å. The C(13)-H(7,8) bond length is 1.10 Å. The C(13)-S(1) bond length is 1.83 Å. In the fourteenth C site, C(14) is bonded in a distorted water-like geometry to one C(26); one H(5); one H(7,8); and one S(2) atom. The C(14)-C(26) bond length is 1.51 Å. The C(14)-H(5) bond length is 1.10 Å. The C(14)-H(7,8) bond length is 1.10 Å. The C(14)-S(2) bond length is 1.83 Å. In the fifteenth C site, C(15) is bonded in a distorted water-like geometry to one C(27), one H(6), one H(9), and one S(3) atom. The C(15)-C(27) bond length is 1.51 Å. The C(15)-H(6) bond length is 1.10 Å. The C(15)-H(9) bond length is 1.10 Å. The C(15)-S(3) bond length is 1.83 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(7) and one H(10,11) atom. The C(16)-H(10,11) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(8) and one H(10,11) atom. The C(17)-H(10,11) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(9) and one H(12) atom. The C(18)-H(12) bond length is 1.09 Å. In the nineteenth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(13), one O(1), and one O(4) atom. The C(25)-O(1) bond length is 1.28 Å. The C(25)-O(4) bond length is 1.28 Å. In the twentieth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(14), one O(2), and one O(5) atom. The C(26)-O(2) bond length is 1.28 Å. The C(26)-O(5) bond length is 1.28 Å. In the twenty-first C site, C(27) is bonded in a distorted trigonal planar geometry to one C(15), one O(3), and one O(6) atom. The C(27)-O(3) bond length is 1.28 Å. The C(27)-O(6) bond length is 1.28 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(10), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(2), one C(11), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(3), one C(12), and one C(6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(3), one C(4), and one C(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(1), one C(5), and one C(8) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Co(2), one C(6), and one C(9) atom. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(10,11) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(13) and one C(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(14) and one C(5) atom. In the third S site, S(3) is bonded in a water-like geometry to one C(15) and one C(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(2) and one C(25) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(3) and one C(26) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(1) and one C(27) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(3) and one C(25) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(1) and one C(26) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(2) and one C(27) atom. Linkers: 6 [O]C(=O)CSC1=Nc2ccccc2[N]1. Metal clusters: 1 [C]1O[Co]O[C]O[Co]O[C]O[Co]O[C]O[Co]O[C]O[Co]O[C]O[Co]O1. The MOF has largest included sphere 4.46 A, density 1.68 g/cm3, surface area 3553.53 m2/g, accessible volume 0.17 cm3/g