NiC20N6H18O5C6H4SO2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two di-isopropenylsulfon molecules and one NiC20N6H18O5 cluster. In the NiC20N6H18O5 cluster, Ni(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(4), one O(1), and one O(5) atom. The Ni(1)-N(1) bond length is 1.91 Å. The Ni(1)-N(4) bond length is 1.91 Å. The Ni(1)-O(1) bond length is 1.96 Å. The Ni(1)-O(5) bond length is 1.91 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(19), one C(20), and one H(1) atom. The C(1)-C(19) bond length is 1.40 Å. The C(1)-C(20) bond length is 1.39 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(2)-C(3) bond length is 1.51 Å. The C(2)-O(1) bond length is 1.31 Å. The C(2)-O(2) bond length is 1.25 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(8) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(8) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(3) and one H(5) atom. The C(8)-H(5) bond length is 1.09 Å. In the sixth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(7) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(7) bond length is 1.09 Å. In the seventh C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(15) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(15) bond length is 1.50 Å. In the eighth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(8) atom. The C(13)-H(8) bond length is 1.09 Å. In the ninth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(5), and one O(6) atom. The C(15)-O(5) bond length is 1.30 Å. The C(15)-O(6) bond length is 1.25 Å. In the tenth C site, C(16) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(10) atom. The C(16)-N(1) bond length is 1.34 Å. The C(16)-N(3) bond length is 1.34 Å. The C(16)-H(10) bond length is 1.08 Å. In the eleventh C site, C(17) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(11) atom. The C(17)-N(1) bond length is 1.37 Å. The C(17)-N(2) bond length is 1.33 Å. The C(17)-H(11) bond length is 1.08 Å. In the twelfth C site, C(18) is bonded in a distorted trigonal non-coplanar geometry to one C(19), one N(3), one H(12), and one H(13) atom. The C(18)-C(19) bond length is 1.52 Å. The C(18)-N(3) bond length is 1.46 Å. The C(18)-H(12) bond length is 1.10 Å. The C(18)-H(13) bond length is 1.10 Å. In the thirteenth C site, C(19) is bonded in a trigonal planar geometry to one C(1), one C(18), and one C(20) atom. The C(19)-C(20) bond length is 1.40 Å. In the fourteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(1), one C(19), and one H(14) atom. The C(20)-H(14) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(15) atom. The C(21)-N(4) bond length is 1.34 Å. The C(21)-N(6) bond length is 1.34 Å. The C(21)-H(15) bond length is 1.08 Å. In the sixteenth C site, C(22) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(16) atom. The C(22)-N(4) bond length is 1.37 Å. The C(22)-N(5) bond length is 1.33 Å. The C(22)-H(16) bond length is 1.08 Å. In the seventeenth C site, C(23) is bonded in a 3-coordinate geometry to one C(24), one N(6), one H(17), and one H(18) atom. The C(23)-C(24) bond length is 1.51 Å. The C(23)-N(6) bond length is 1.47 Å. The C(23)-H(17) bond length is 1.10 Å. The C(23)-H(18) bond length is 1.10 Å. In the eighteenth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(26) atom. The C(24)-C(25) bond length is 1.40 Å. The C(24)-C(26) bond length is 1.40 Å. In the nineteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(24) and one H(19) atom. The C(25)-H(19) bond length is 1.09 Å. In the twentieth C site, C(26) is bonded in a distorted single-bond geometry to one C(24) and one H(20) atom. The C(26)-H(20) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(16), and one C(17) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(17) and one N(3) atom. The N(2)-N(3) bond length is 1.37 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one N(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(1), one C(21), and one C(22) atom. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(22) and one N(6) atom. The N(5)-N(6) bond length is 1.36 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one N(5) atom. There are eighteen 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(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(23) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one O(7) atom. The H(21)-O(7) bond length is 0.98 Å. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one O(6) and one O(7) atom. The H(22)-O(6) bond length is 1.69 Å. The H(22)-O(7) bond length is 1.00 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ni(1) and one C(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(15) atom. In the fourth O site, O(6) is bonded in a bent 120 degrees geometry to one C(15) and one H(22) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one H(21) and one H(22) atom. Linkers: 2 [CH]1N=C[N]N1Cc1ccc(CN2[CH]N=C[N]2)cc1 ,2 [O]C(=O)c1ccc(S(=O)(=O)c2ccc(C([O])=O)cc2)cc1. Metal clusters: 2 O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 2.20 A, density 1.59 g/cm3, surface area 4582.84 m2/g, accessible volume 0.16 cm3/g