Ni3C54H34(NO3)4C2O(C6H4SO2)3 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six di-isopropenylsulfon molecules, two dimethyl ether molecules, and two Ni3C54H34(NO3)4 clusters. In each Ni3C54H34(NO3)4 cluster, there are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one N(4), one O(15), one O(18), one O(6), and one O(7) atom to form distorted corner-sharing NiN2O4 octahedra. The Ni(1)-N(1) bond length is 2.15 Å. The Ni(1)-N(4) bond length is 2.10 Å. The Ni(1)-O(15) bond length is 2.05 Å. The Ni(1)-O(18) bond length is 1.99 Å. The Ni(1)-O(6) bond length is 2.46 Å. The Ni(1)-O(7) bond length is 2.05 Å. In the second Ni site, Ni(2) is bonded to one O(14), one O(19), one O(3), one O(6), and one O(9) atom to form corner-sharing NiO5 square pyramids. The corner-sharing octahedral tilt angles range from 63-82°. The Ni(2)-O(14) bond length is 2.08 Å. The Ni(2)-O(19) bond length is 2.03 Å. The Ni(2)-O(3) bond length is 2.07 Å. The Ni(2)-O(6) bond length is 2.19 Å. The Ni(2)-O(9) bond length is 2.20 Å. In the third Ni site, Ni(3) is bonded to one N(2), one N(3), one O(13), one O(2), one O(8), and one O(9) atom to form corner-sharing NiN2O4 octahedra. The Ni(3)-N(2) bond length is 2.10 Å. The Ni(3)-N(3) bond length is 2.16 Å. The Ni(3)-O(13) bond length is 2.07 Å. The Ni(3)-O(2) bond length is 2.01 Å. The Ni(3)-O(8) bond length is 2.08 Å. The Ni(3)-O(9) bond length is 2.28 Å. There are fifty-four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(9) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.38 Å. The C(1)-C(9) bond length is 1.48 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-H(2) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a trigonal planar geometry to one C(14), one C(4), and one C(6) atom. The C(5)-C(14) bond length is 1.49 Å. The C(5)-C(6) bond length is 1.43 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(7)-N(1) bond length is 1.33 Å. The C(7)-H(4) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(5) atom. The C(8)-C(9) bond length is 1.38 Å. The C(8)-H(5) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(8) atom. The C(9)-C(10) bond length is 1.37 Å. In the ninth C site, C(10) is bonded in a single-bond geometry to one C(11), one C(9), and one H(6) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-H(6) bond length is 0.93 Å. In the tenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(1), and one H(7) atom. The C(11)-N(1) bond length is 1.33 Å. The C(11)-H(7) bond length is 0.93 Å. In the eleventh C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(12)-N(2) bond length is 1.31 Å. The C(12)-H(8) bond length is 0.93 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(9) atom. The C(13)-C(14) bond length is 1.35 Å. The C(13)-H(9) bond length is 0.93 Å. In the thirteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(5) atom. The C(14)-C(15) bond length is 1.37 Å. In the fourteenth C site, C(15) is bonded in a single-bond geometry to one C(14) and one H(10) atom. The C(15)-H(10) bond length is 0.93 Å. In the fifteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(11) atom. The C(16)-N(2) bond length is 1.35 Å. The C(16)-H(11) bond length is 0.93 Å. In the sixteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(19) and one H(12) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-H(12) bond length is 0.93 Å. In the seventeenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(30) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-C(30) bond length is 1.51 Å. In the eighteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one H(13) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(13) bond length is 0.93 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(25) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(25) bond length is 1.47 Å. In the twentieth C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(14) atom. The C(22)-H(14) bond length is 0.93 Å. In the twenty-first C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(15) atom. The C(23)-N(3) bond length is 1.35 Å. The C(23)-H(15) bond length is 0.93 Å. In the twenty-second C site, C(24) is bonded in a distorted single-bond geometry to one C(25) and one H(16) atom. The C(24)-C(25) bond length is 1.38 Å. The C(24)-H(16) bond length is 0.93 Å. In the twenty-third C site, C(25) is bonded in a trigonal planar geometry to one C(21), one C(24), and one C(26) atom. The C(25)-C(26) bond length is 1.39 Å. In the twenty-fourth C site, C(26) is bonded in a single-bond geometry to one C(25) and one H(17) atom. The C(26)-H(17) bond length is 0.93 Å. In the twenty-fifth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(18) atom. The C(27)-N(3) bond length is 1.34 Å. The C(27)-H(18) bond length is 0.93 Å. In the twenty-sixth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(19) atom. The C(28)-N(4) bond length is 1.35 Å. The C(28)-H(19) bond length is 0.93 Å. In the twenty-seventh C site, C(29) is bonded in a distorted single-bond geometry to one C(30) and one H(20) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-H(20) bond length is 0.93 Å. In the twenty-eighth C site, C(30) is bonded in a trigonal planar geometry to one C(19), one C(29), and one C(31) atom. The C(30)-C(31) bond length is 1.38 Å. In the twenty-ninth C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(21) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-H(21) bond length is 0.93 Å. In the thirtieth C site, C(32) is bonded in a distorted trigonal planar geometry to one C(31), one N(4), and one H(22) atom. The C(32)-N(4) bond length is 1.30 Å. The C(32)-H(22) bond length is 0.93 Å. In the thirty-first C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(2), and one O(3) atom. The C(33)-C(34) bond length is 1.50 Å. The C(33)-O(2) bond length is 1.24 Å. The C(33)-O(3) bond length is 1.26 Å. In the thirty-second C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(39) atom. The C(34)-C(35) bond length is 1.41 Å. The C(34)-C(39) bond length is 1.37 Å. In the thirty-third C site, C(35) is bonded in a single-bond geometry to one C(34) and one H(23) atom. The C(35)-H(23) bond length is 0.93 Å. In the thirty-fourth C site, C(39) is bonded in a distorted single-bond geometry to one C(34) and one H(26) atom. The C(39)-H(26) bond length is 0.93 Å. In the thirty-fifth C site, C(42) is bonded in a distorted single-bond geometry to one C(43) and one H(28) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-H(28) bond length is 0.93 Å. In the thirty-sixth C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(46) atom. The C(43)-C(44) bond length is 1.39 Å. The C(43)-C(46) bond length is 1.48 Å. In the thirty-seventh C site, C(44) is bonded in a distorted single-bond geometry to one C(43) and one H(29) atom. The C(44)-H(29) bond length is 0.93 Å. In the thirty-eighth C site, C(46) is bonded in a distorted bent 120 degrees geometry to one C(43), one O(6), and one O(7) atom. The C(46)-O(6) bond length is 1.26 Å. The C(46)-O(7) bond length is 1.26 Å. In the thirty-ninth C site, C(47) is bonded in a bent 120 degrees geometry to one C(48), one O(8), and one O(9) atom. The C(47)-C(48) bond length is 1.47 Å. The C(47)-O(8) bond length is 1.22 Å. The C(47)-O(9) bond length is 1.25 Å. In the fortieth C site, C(48) is bonded in a trigonal planar geometry to one C(47), one C(49), and one C(53) atom. The C(48)-C(49) bond length is 1.38 Å. The C(48)-C(53) bond length is 1.40 Å. In the forty-first C site, C(49) is bonded in a distorted single-bond geometry to one C(48) and one H(31) atom. The C(49)-H(31) bond length is 0.93 Å. In the forty-second C site, C(53) is bonded in a distorted single-bond geometry to one C(48) and one H(34) atom. The C(53)-H(34) bond length is 0.93 Å. In the forty-third C site, C(56) is bonded in a distorted single-bond geometry to one C(57) and one H(36) atom. The C(56)-C(57) bond length is 1.33 Å. The C(56)-H(36) bond length is 0.93 Å. In the forty-fourth C site, C(57) is bonded in a trigonal planar geometry to one C(56), one C(58), and one C(60) atom. The C(57)-C(58) bond length is 1.41 Å. The C(57)-C(60) bond length is 1.52 Å. In the forty-fifth C site, C(58) is bonded in a distorted single-bond geometry to one C(57) and one H(37) atom. The C(58)-H(37) bond length is 0.93 Å. In the forty-sixth C site, C(60) is bonded in a distorted bent 120 degrees geometry to one C(57), one O(12), and one O(13) atom. The C(60)-O(12) bond length is 1.23 Å. The C(60)-O(13) bond length is 1.24 Å. In the forty-seventh C site, C(61) is bonded in a distorted bent 120 degrees geometry to one C(62), one O(14), and one O(15) atom. The C(61)-C(62) bond length is 1.50 Å. The C(61)-O(14) bond length is 1.26 Å. The C(61)-O(15) bond length is 1.23 Å. In the forty-eighth C site, C(62) is bonded in a trigonal planar geometry to one C(61), one C(63), and one C(67) atom. The C(62)-C(63) bond length is 1.42 Å. The C(62)-C(67) bond length is 1.37 Å. In the forty-ninth C site, C(63) is bonded in a single-bond geometry to one C(62) and one H(39) atom. The C(63)-H(39) bond length is 0.93 Å. In the fiftieth C site, C(67) is bonded in a distorted single-bond geometry to one C(62) and one H(42) atom. The C(67)-H(42) bond length is 0.93 Å. In the fifty-first C site, C(70) is bonded in a distorted single-bond geometry to one C(71) and one H(44) atom. The C(70)-C(71) bond length is 1.37 Å. The C(70)-H(44) bond length is 0.93 Å. In the fifty-second C site, C(71) is bonded in a trigonal planar geometry to one C(70), one C(72), and one C(74) atom. The C(71)-C(72) bond length is 1.40 Å. The C(71)-C(74) bond length is 1.51 Å. In the fifty-third C site, C(72) is bonded in a single-bond geometry to one C(71) and one H(45) atom. The C(72)-H(45) bond length is 0.93 Å. In the fifty-fourth C site, C(74) is bonded in a distorted bent 120 degrees geometry to one C(71), one O(18), and one O(19) atom. The C(74)-O(18) bond length is 1.27 Å. The C(74)-O(19) bond length is 1.28 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(11), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(3), one C(12), and one C(16) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(3), one C(23), and one C(27) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(1), one C(28), and one C(32) atom. There are thirty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(29) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(31) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(32) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(39) atom. In the twenty-fifth H site, H(28) is bonded in a single-bond geometry to one C(42) atom. In the twenty-sixth H site, H(29) is bonded in a single-bond geometry to one C(44) atom. In the twenty-seventh H site, H(31) is bonded in a single-bond geometry to one C(49) atom. In the twenty-eighth H site, H(34) is bonded in a single-bond geometry to one C(53) atom. In the twenty-ninth H site, H(36) is bonded in a single-bond geometry to one C(56) atom. In the thirtieth H site, H(37) is bonded in a single-bond geometry to one C(58) atom. In the thirty-first H site, H(39) is bonded in a single-bond geometry to one C(63) atom. In the thirty-second H site, H(42) is bonded in a single-bond geometry to one C(67) atom. In the thirty-third H site, H(44) is bonded in a single-bond geometry to one C(70) atom. In the thirty-fourth H site, H(45) is bonded in a single-bond geometry to one C(72) atom. There are twelve inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(33) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(33) atom. In the third O site, O(6) is bonded in a 1-coordinate geometry to one Ni(1), one Ni(2), and one C(46) atom. In the fourth O site, O(7) is bonded in a water-like geometry to one Ni(1) and one C(46) atom. In the fifth O site, O(8) is bonded in a distorted water-like geometry to one Ni(3) and one C(47) atom. In the sixth O site, O(9) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one C(47) atom. In the seventh O site, O(12) is bonded in a single-bond geometry to one C(60) atom. In the eighth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one C(60) atom. In the ninth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(61) atom. In the tenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one C(61) atom. In the eleventh O site, O(18) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(74) atom. In the twelfth O site, O(19) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(74) atom. Linkers: 6 [O]C(=O)c1ccc(S(=O)(=O)c2ccc(C([O])=O)cc2)cc1 ,2 c1cc(-c2cc(Oc3cc(-c4ccncc4)cc(-c4ccncc4)c3)cc(-c3ccncc3)c2)ccn1 ,4 [c]1cc(-c2cc(Oc3cc(-c4ccncc4)cc(-c4ccncc4)c3)cc(-c3ccncc3)c2)ccn1. Metal clusters: 2 O=[C]O[Ni]1O[C]O[Ni]23(O[C]O[Ni](O[C]O2)O[C]O3)O[C]O1. The MOF has largest included sphere 5.22 A, density 1.33 g/cm3, surface area 4453.86 m2/g, accessible volume 0.29 cm3/g