NiC18H12(NO)4(C5H3)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5-triisopropenyl benzene molecules and two NiC18H12(NO)4 clusters. In each NiC18H12(NO)4 cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted octahedral geometry to one N(3), one N(5), one O(3), one O(4), one O(5), and one O(6) atom. The Ni(1)-N(3) bond length is 2.03 Å. The Ni(1)-N(5) bond length is 2.02 Å. The Ni(1)-O(3) bond length is 2.03 Å. The Ni(1)-O(4) bond length is 2.23 Å. The Ni(1)-O(5) bond length is 2.08 Å. The Ni(1)-O(6) bond length is 2.15 Å. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(1) atoms. Both Ni(2)-N(1) bond lengths are 2.07 Å. Both Ni(2)-O(1) bond lengths are 2.04 Å. There are twenty-seven inequivalent C sites. In the first C site, C(15) is bonded in a 3-coordinate geometry to one C(14), one N(6), and one H(12) atom. The C(15)-C(14) bond length is 1.33 Å. The C(15)-N(6) bond length is 1.36 Å. The C(15)-H(12) bond length is 0.93 Å. In the second C site, C(16) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(42) atom. The C(16)-C(17) bond length is 1.38 Å. The C(16)-C(21) bond length is 1.38 Å. The C(16)-C(42) bond length is 1.51 Å. In the third C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(13) atom. The C(17)-H(13) bond length is 0.93 Å. In the fourth C site, C(30) is bonded in a distorted single-bond geometry to one C(31) and one H(21) atom. The C(30)-C(31) bond length is 1.38 Å. The C(30)-H(21) bond length is 0.93 Å. In the fifth C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(34) atom. The C(31)-C(32) bond length is 1.38 Å. The C(31)-C(34) bond length is 1.49 Å. In the sixth C site, C(32) is bonded in a distorted single-bond geometry to one C(31) and one H(22) atom. The C(32)-H(22) bond length is 0.93 Å. In the seventh C site, C(34) is bonded in a bent 120 degrees geometry to one C(31), one O(3), and one O(4) atom. The C(34)-O(3) bond length is 1.27 Å. The C(34)-O(4) bond length is 1.26 Å. In the eighth C site, C(37) is bonded in a distorted single-bond geometry to one C(38) and one H(25) atom. The C(37)-C(38) bond length is 1.38 Å. The C(37)-H(25) bond length is 0.93 Å. In the ninth C site, C(38) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(41) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-C(41) bond length is 1.49 Å. In the tenth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(1), and one O(2) atom. The C(42)-O(1) bond length is 1.26 Å. The C(42)-O(2) bond length is 1.25 Å. In the eleventh C site, C(39) is bonded in a distorted single-bond geometry to one C(38) and one H(26) atom. The C(39)-H(26) bond length is 0.93 Å. In the twelfth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(38), one O(5), and one O(6) atom. The C(41)-O(5) bond length is 1.27 Å. The C(41)-O(6) bond length is 1.26 Å. In the thirteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(16) and one H(16) atom. The C(21)-H(16) bond length is 0.93 Å. In the fourteenth C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(1) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-C(6) bond length is 1.39 Å. The C(1)-H(1) bond length is 0.93 Å. In the fifteenth C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one N(2) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(2) bond length is 1.43 Å. In the sixteenth C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(2) atom. The C(3)-H(2) bond length is 0.93 Å. In the seventeenth C site, C(4) is bonded in a distorted single-bond geometry to one N(4) atom. The C(4)-N(4) bond length is 1.43 Å. In the eighteenth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(3) bond length is 0.93 Å. In the nineteenth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(1), one C(5), and one N(6) atom. The C(6)-N(6) bond length is 1.42 Å. In the twentieth C site, C(7) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(4) atom. The C(7)-N(1) bond length is 1.31 Å. The C(7)-N(2) bond length is 1.35 Å. The C(7)-H(4) bond length is 0.93 Å. In the twenty-first C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(1), and one H(5) atom. The C(8)-C(9) bond length is 1.35 Å. The C(8)-N(1) bond length is 1.37 Å. The C(8)-H(5) bond length is 0.93 Å. In the twenty-second C site, C(9) is bonded in a 3-coordinate geometry to one C(8), one N(2), and one H(6) atom. The C(9)-N(2) bond length is 1.37 Å. The C(9)-H(6) bond length is 0.93 Å. In the twenty-third C site, C(10) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(7) atom. The C(10)-N(3) bond length is 1.31 Å. The C(10)-N(4) bond length is 1.34 Å. The C(10)-H(7) bond length is 0.93 Å. In the twenty-fourth C site, C(11) is bonded in a 3-coordinate geometry to one C(12), one N(4), and one H(8) atom. The C(11)-C(12) bond length is 1.35 Å. The C(11)-N(4) bond length is 1.38 Å. The C(11)-H(8) bond length is 0.93 Å. In the twenty-fifth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(3), and one H(9) atom. The C(12)-N(3) bond length is 1.37 Å. The C(12)-H(9) bond length is 0.93 Å. In the twenty-sixth C site, C(13) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(10) atom. The C(13)-N(5) bond length is 1.30 Å. The C(13)-N(6) bond length is 1.33 Å. The C(13)-H(10) bond length is 0.93 Å. In the twenty-seventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(5), and one H(11) atom. The C(14)-N(5) bond length is 1.35 Å. The C(14)-H(11) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(7), and one C(8) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(2), one C(7), and one C(9) atom. In the third N site, N(5) is bonded in a trigonal planar geometry to one Ni(1), one C(13), and one C(14) atom. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(6) atom. In the fifth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(4) atom. In the sixth N site, N(3) is bonded in a trigonal planar geometry to one Ni(1), one C(10), and one C(12) 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) 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(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(21) is bonded in a single-bond geometry to one C(30) atom. In the sixteenth H site, H(22) is bonded in a single-bond geometry to one C(32) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(37) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one C(39) 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(2) and one C(42) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(42) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Ni(1) and one C(34) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Ni(1) and one C(34) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ni(1) and one C(41) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Ni(1) and one C(41) atom. Linkers: 4 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)cc(-c3ccc(C([O])=O)cc3)c2)cc1 ,4 c1cn(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cn1. Metal clusters: 4 [C]1O[Ni]2(O1)O[C]O2 ,2 O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 5.06 A, density 1.16 g/cm3, surface area 4796.08 m2/g, accessible volume 0.44 cm3/g