NiC36H24(NO2)2 is Indium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight NiC36H24(NO2)2 clusters. Ni(1) is bonded in a distorted octahedral geometry to one N(1), one N(2), one O(3), one O(4), one O(7), and one O(8) atom. The Ni(1)-N(1) bond length is 2.00 Å. The Ni(1)-N(2) bond length is 2.00 Å. The Ni(1)-O(3) bond length is 2.15 Å. The Ni(1)-O(4) bond length is 2.15 Å. The Ni(1)-O(7) bond length is 2.11 Å. The Ni(1)-O(8) bond length is 2.11 Å. There are twenty-eight inequivalent C sites. In the first C site, C(30,31,32) is bonded in a trigonal planar geometry to one C(18), one C(34), and one C(50) atom. The C(30,31,32)-C(18) bond length is 1.47 Å. The C(30,31,32)-C(34) bond length is 1.41 Å. The C(30,31,32)-C(50) bond length is 1.41 Å. In the second C site, C(35,36) is bonded in a distorted single-bond geometry to one C(30,31,32) and one H(17,18,19,20) atom. The C(35,36)-C(30,31,32) bond length is 1.41 Å. The C(35,36)-H(17,18,19,20) bond length is 1.09 Å. In the third C site, C(37,38,39,40) is bonded in a distorted single-bond geometry to one C(41,43,44) and one H(21,22,23,24) atom. The C(37,38,39,40)-C(41,43,44) bond length is 1.40 Å. The C(37,38,39,40)-H(21,22,23,24) bond length is 1.09 Å. In the fourth C site, C(41,43,44) is bonded in a trigonal planar geometry to one C(37,38,39,40); one C(45,46,47,48); and one C(53,54,55,56) atom. The C(41,43,44)-C(45,46,47,48) bond length is 1.40 Å. The C(41,43,44)-C(53,54,55,56) bond length is 1.47 Å. In the fifth C site, C(42) is bonded in a trigonal planar geometry to one C(37,38,39,40); one C(45,46,47,48); and one C(53,54,55,56) atom. The C(42)-C(37,38,39,40) bond length is 1.40 Å. The C(42)-C(45,46,47,48) bond length is 1.40 Å. The C(42)-C(53,54,55,56) bond length is 1.47 Å. In the sixth C site, C(45,46,47,48) is bonded in a distorted single-bond geometry to one C(41,43,44) and one H(25,26,27,28) atom. The C(45,46,47,48)-H(25,26,27,28) bond length is 1.09 Å. In the seventh C site, C(51,52) is bonded in a distorted single-bond geometry to one C(30,31,32) and one H(29,30,31,32) atom. The C(51,52)-C(30,31,32) bond length is 1.41 Å. The C(51,52)-H(29,30,31,32) bond length is 1.09 Å. In the eighth C site, C(53,54,55,56) is bonded in a trigonal planar geometry to one C(41,43,44); one C(57,59,60); and one C(69,71,72) atom. The C(53,54,55,56)-C(57,59,60) bond length is 1.40 Å. The C(53,54,55,56)-C(69,71,72) bond length is 1.41 Å. In the ninth C site, C(57,59,60) is bonded in a distorted single-bond geometry to one C(53,54,55,56) and one H(33,34,35,36) atom. The C(57,59,60)-H(33,34,35,36) bond length is 1.09 Å. In the tenth C site, C(58) is bonded in a distorted single-bond geometry to one C(53,54,55,56) and one H(33,34,35,36) atom. The C(58)-C(53,54,55,56) bond length is 1.40 Å. The C(58)-H(33,34,35,36) bond length is 1.09 Å. In the eleventh C site, C(61) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(37,38,39,40) atom. The C(61)-N(1) bond length is 1.35 Å. The C(61)-H(37,38,39,40) bond length is 1.09 Å. In the twelfth C site, C(62) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(37,38,39,40) atom. The C(62)-N(2) bond length is 1.35 Å. The C(62)-H(37,38,39,40) bond length is 1.09 Å. In the thirteenth C site, C(65) is bonded in a distorted trigonal planar geometry to one C(69,71,72); one N(1); and one H(41,42,43,44) atom. The C(65)-C(69,71,72) bond length is 1.39 Å. The C(65)-N(1) bond length is 1.35 Å. The C(65)-H(41,42,43,44) bond length is 1.09 Å. In the fourteenth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(7) atom. The C(3)-C(7) bond length is 1.49 Å. The C(3)-O(3) bond length is 1.28 Å. The C(3)-O(7) bond length is 1.29 Å. In the fifteenth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(4), and one O(8) atom. The C(4)-C(8) bond length is 1.49 Å. The C(4)-O(4) bond length is 1.28 Å. The C(4)-O(8) bond length is 1.29 Å. In the sixteenth C site, C(66) is bonded in a distorted trigonal planar geometry to one C(70); one N(2); and one H(41,42,43,44) atom. The C(66)-C(70) bond length is 1.39 Å. The C(66)-N(2) bond length is 1.35 Å. The C(66)-H(41,42,43,44) bond length is 1.09 Å. In the seventeenth C site, C(69,71,72) is bonded in a distorted single-bond geometry to one C(53,54,55,56); one C(65); and one H(45,46,47,48) atom. The C(69,71,72)-H(45,46,47,48) bond length is 1.09 Å. In the eighteenth C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(27), and one C(3) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-C(27) bond length is 1.40 Å. In the nineteenth C site, C(8) is bonded in a trigonal planar geometry to one C(25,28); one C(4); and one C(9,12) atom. The C(8)-C(25,28) bond length is 1.40 Å. The C(8)-C(9,12) bond length is 1.40 Å. In the twentieth C site, C(70) is bonded in a distorted single-bond geometry to one C(53,54,55,56); one C(66); and one H(45,46,47,48) atom. The C(70)-C(53,54,55,56) bond length is 1.41 Å. The C(70)-H(45,46,47,48) bond length is 1.09 Å. In the twenty-first C site, C(9,12) is bonded in a distorted single-bond geometry to one C(5) and one H(1,2,3,4) atom. The C(9,12)-C(5) bond length is 1.40 Å. The C(9,12)-H(1,2,3,4) bond length is 1.09 Å. In the twenty-second C site, C(11) is bonded in a distorted single-bond geometry to one C(7) and one H(1,2,3,4) atom. The C(11)-H(1,2,3,4) bond length is 1.09 Å. In the twenty-third C site, C(14,15,16) is bonded in a distorted single-bond geometry to one C(18) and one H(5,6,7,8) atom. The C(14,15,16)-C(18) bond length is 1.41 Å. The C(14,15,16)-H(5,6,7,8) bond length is 1.09 Å. In the twenty-fourth C site, C(19) is bonded in a trigonal planar geometry to one C(14,15,16); one C(22,23,24); and one C(30,31,32) atom. The C(19)-C(14,15,16) bond length is 1.41 Å. The C(19)-C(22,23,24) bond length is 1.41 Å. The C(19)-C(30,31,32) bond length is 1.47 Å. In the twenty-fifth C site, C(20) is bonded in a trigonal planar geometry to one C(14,15,16); one C(22,23,24); and one C(30,31,32) atom. The C(20)-C(14,15,16) bond length is 1.41 Å. The C(20)-C(22,23,24) bond length is 1.41 Å. The C(20)-C(30,31,32) bond length is 1.47 Å. In the twenty-sixth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(22,23,24); one C(7); and one H(14,15,16) atom. The C(27)-C(22,23,24) bond length is 1.39 Å. The C(27)-H(14,15,16) bond length is 1.09 Å. In the twenty-seventh C site, C(22,23,24) is bonded in a distorted trigonal planar geometry to one C(18); one C(26); and one H(9,10,12) atom. The C(22,23,24)-C(18) bond length is 1.41 Å. The C(22,23,24)-C(26) bond length is 1.39 Å. The C(22,23,24)-H(9,10,12) bond length is 1.09 Å. In the twenty-eighth C site, C(25,28) is bonded in a distorted trigonal planar geometry to one C(21), one C(5), and one H(13) atom. The C(25,28)-C(21) bond length is 1.39 Å. The C(25,28)-C(5) bond length is 1.40 Å. The C(25,28)-H(13) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(61), and one C(65) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(62), and one C(66) atom. There are thirteen inequivalent H sites. In the first H site, H(1,2,3,4) is bonded in a single-bond geometry to one C(9,12) atom. In the second H site, H(5,6,7,8) is bonded in a single-bond geometry to one C(13) atom. The H(5,6,7,8)-C(13) bond length is 1.09 Å. In the third H site, H(11) is bonded in a single-bond geometry to one C(22,23,24) atom. The H(11)-C(22,23,24) bond length is 1.09 Å. In the fourth H site, H(9,10,12) is bonded in a single-bond geometry to one C(21) atom. The H(9,10,12)-C(21) bond length is 1.09 Å. In the fifth H site, H(14,15,16) is bonded in a single-bond geometry to one C(26) atom. The H(14,15,16)-C(26) bond length is 1.09 Å. In the sixth H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(33) atom. The H(17,18,19,20)-C(33) bond length is 1.09 Å. In the seventh H site, H(21,22,23,24) is bonded in a single-bond geometry to one C(37,38,39,40) atom. In the eighth H site, H(25,26,27,28) is bonded in a single-bond geometry to one C(45,46,47,48) atom. In the ninth H site, H(29,30,31,32) is bonded in a single-bond geometry to one C(49) atom. The H(29,30,31,32)-C(49) bond length is 1.09 Å. In the tenth H site, H(33,34,35,36) is bonded in a single-bond geometry to one C(57,59,60) atom. In the eleventh H site, H(37,38,39,40) is bonded in a single-bond geometry to one C(61) atom. In the twelfth H site, H(41,42,43,44) is bonded in a single-bond geometry to one C(65) atom. In the thirteenth H site, H(45,46,47,48) is bonded in a single-bond geometry to one C(69,71,72) atom. There are four inequivalent O sites. In the first O site, O(7) is bonded in an L-shaped geometry to one Ni(1) and one C(3) atom. In the second O site, O(8) is bonded in an L-shaped geometry to one Ni(1) and one C(4) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Ni(1) and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Ni(1) and one C(4) atom. Linkers: 1 [O][C]c1[c]cc(-c2ccc(C3=C[CH]N([Ni]45(N6[CH]C=C(c7ccc(-c8ccc(C([O])=O)cc8)cc7)C=C6)(O[C](c6ccc(-c7cc[c]cc7)cc6)O4)O[C](c4ccc(-c6ccc(-c7c[c]ncc7)cc6)cc4)O5)C=C3)cc2)cc1 ,1 [O]C(=O)c1ccc(-c2ccc(C3=C[CH]N([Ni]45(N6[CH]C=C(c7ccc(-c8ccc(C([O])=O)cc8)cc7)C=C6)(O[C](c6ccc(-c7cc[c]cc7)cc6)O4)O[C](c4ccc(-c6ccc(-c7ccncc7)cc6)cc4)O5)C=C3)cc2)cc1 ,3 [O][C]c1[c]cc(-c2ccc(C3=C[CH]N([Ni]45(N6[CH]C=C(c7ccc(-c8ccc(C([O])=O)cc8)cc7)C=C6)(O[C](c6ccc(-c7ccc(-c8c[c]ncc8)cc7)cc6)O4)O[C](c4ccc(-c6ccc(-c7ccncc7)cc6)cc4)O5)C=C3)cc2)cc1 ,1 [CH]C([CH])=C1O[Ni]2(N3[CH]C=C(c4ccc(-c5ccc(C([O])=O)cc5)cc4)C=C3)(N3[CH]C=C(c4ccc(-c5ccc(C([O])=O)cc5)cc4)C=C3)(O[C](c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)O2)O1 ,2 [O]C(=O)c1ccc(-c2ccc(C3=C[CH]N([Ni]45(N6[CH]C=C(c7ccc(-c8ccc(C([O])=O)cc8)cc7)C=C6)(O[C](c6ccc(-c7ccc(-c8ccncc8)cc7)cc6)O4)O[C](c4ccc(-c6ccc(-c7ccncc7)cc6)cc4)O5)C=C3)cc2)cc1 ,1 [O][C]c1[c]cc(-c2ccc(C3=C[CH]N([Ni]45(N6[CH]C=C(c7ccc(-c8ccc(C([O])=O)cc8)cc7)C=C6)(O[C](c6ccc(-c7cc[c]cc7)cc6)O4)O[C](c4ccc(-c6ccc(-c7ccncc7)cc6)cc4)O5)C=C3)cc2)cc1 ,1 [CH]C([CH])=C1O[Ni]2(N3[CH]C=C(c4ccc(-c5c[c]c([C][O])cc5)cc4)C=C3)(N3[CH]C=C(c4ccc(-c5ccc(C([O])=O)cc5)cc4)C=C3)(O[C](c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)O2)O1 ,1 [CH]=N[Ni]12(N=[CH])(O[C](c3ccc(-c4ccc(-c5c[c]ncc5)cc4)cc3)O1)O[C](c1ccc(-c3ccc(-c4ccncc4)cc3)cc1)O2 ,1 [C]/C=C\C(=[CH])c1ccc(C2=C[CH]N([Ni]34(N5[CH]C=C(c6ccc(-c7c[c][c]cc7)cc6)C=C5)(O[C](c5ccc(-c6ccc(-c7c[c]ncc7)cc6)cc5)O3)O[C](c3ccc(-c5ccc(-c6ccncc6)cc5)cc3)O4)C=C2)cc1 ,1 [C]/C=C\C(=[CH])c1ccc(C2=C[CH]N([Ni]34(N5[CH]C=C(c6ccc(-c7c[c][c]cc7)cc6)C=C5)(O[C](c5ccc(-c6ccc(-c7ccncc7)cc6)cc5)O3)O[C](c3ccc(-c5ccc(-c6ccncc6)cc5)cc3)O4)C=C2)cc1 ,1 [CH]=N[Ni]12(N=[CH])(O[C](c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)O1)O[C](c1ccc(-c3ccc(-c4ccncc4)cc3)cc1)O2. Metal clusters: 2 [C]1O[Ni]2(O1)O[C]O2. The MOF has largest included sphere 8.26 A, density 0.83 g/cm3, surface area 5076.93 m2/g, accessible volume 0.67 cm3/g