NiC36H24(NO2)2 is Indium-like structured and crystallizes in the tetragonal I4_1 space group. The structure is zero-dimensional and consists of eight NiC36H24(NO2)2 clusters. Ni(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent O(4) atoms. Both Ni(1)-N(1) bond lengths are 1.91 Å. Both Ni(1)-O(4) bond lengths are 1.95 Å. There are eighteen inequivalent C sites. In the first C site, C(16) is bonded in a trigonal planar geometry to one C(10), one C(18), and one C(26) atom. The C(16)-C(10) bond length is 1.48 Å. The C(16)-C(18) bond length is 1.41 Å. The C(16)-C(26) bond length is 1.41 Å. In the second C site, C(18) is bonded in a distorted single-bond geometry to one C(16) and one H(10) atom. The C(18)-H(10) bond length is 1.09 Å. In the third C site, C(19) is bonded in a distorted single-bond geometry to one C(21) and one H(11) atom. The C(19)-C(21) bond length is 1.41 Å. The C(19)-H(11) bond length is 1.09 Å. In the fourth C site, C(21) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(27) atom. The C(21)-C(23) bond length is 1.40 Å. The C(21)-C(27) bond length is 1.47 Å. In the fifth C site, C(23) is bonded in a single-bond geometry to one C(21) and one H(13) atom. The C(23)-H(13) bond length is 1.09 Å. In the sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(16) and one H(16) atom. The C(26)-H(16) bond length is 1.09 Å. In the seventh C site, C(27) is bonded in a trigonal planar geometry to one C(21), one C(29), and one C(35) atom. The C(27)-C(29) bond length is 1.41 Å. The C(27)-C(35) bond length is 1.41 Å. In the eighth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(27), one C(31), and one H(17) atom. The C(29)-C(31) bond length is 1.39 Å. The C(29)-H(17) bond length is 1.09 Å. In the ninth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(29), one N(1), and one H(19) atom. The C(31)-N(1) bond length is 1.35 Å. The C(31)-H(19) bond length is 1.09 Å. In the tenth C site, C(33) is bonded in a 2-coordinate geometry to one N(1) and one H(21) atom. The C(33)-N(1) bond length is 1.35 Å. The C(33)-H(21) bond length is 1.09 Å. In the eleventh C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(2)-C(4) bond length is 1.50 Å. The C(2)-O(2) bond length is 1.26 Å. The C(2)-O(4) bond length is 1.30 Å. In the twelfth C site, C(35) is bonded in a distorted single-bond geometry to one C(27) and one H(23) atom. The C(35)-H(23) bond length is 1.09 Å. In the thirteenth C site, C(4) is bonded in a trigonal planar geometry to one C(14), one C(2), and one C(6) atom. The C(4)-C(14) bond length is 1.40 Å. The C(4)-C(6) bond length is 1.40 Å. In the fourteenth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one H(2) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-H(2) bond length is 1.09 Å. In the fifteenth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one C(6), and one H(4) atom. The C(8)-C(10) bond length is 1.41 Å. The C(8)-H(4) bond length is 1.09 Å. In the sixteenth C site, C(10) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(8) atom. The C(10)-C(12) bond length is 1.41 Å. In the seventeenth C site, C(12) is bonded in a distorted single-bond geometry to one C(10) and one H(6) atom. The C(12)-H(6) bond length is 1.09 Å. In the eighteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(4) and one H(8) atom. The C(14)-H(8) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(31), and one C(33) atom. There are twelve inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(23) atom. In the eighth H site, H(16) is bonded in a single-bond geometry to one C(26) atom. In the ninth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the tenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the eleventh H site, H(21) is bonded in a single-bond geometry to one C(33) atom. In the twelfth H site, H(23) is bonded in a single-bond geometry to one C(35) atom. There are two inequivalent O sites. In the first O site, O(4) is bonded in a 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. Linkers: 1 [CH]C(=[CH])C(=O)O[Ni](OC(=O)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)(N1[CH]C=C(c2ccc(-c3ccc(C([O])=O)cc3)cc2)C=C1)N1[CH]C=C(c2ccc(-c3ccc(C([O])=O)cc3)cc2)C=C1 ,1 [O]C(=O)c1ccc(-c2ccc(C3=C[CH]N([Ni](OC(=O)c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)(OC(=O)c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)N4[CH]C=C(c5ccc(-c6ccc(C([O])=O)cc6)cc5)C=C4)C=C3)cc2)cc1 ,1 [C]c1ccc(-c2ccc(C3=C[CH]N([Ni](OC(=O)c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)(OC(=O)c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)N4[CH]C=C(c5ccc(-c6ccc(C([O])=O)cc6)cc5)C=C4)C=C3)cc2)cc1 ,1 [C]/C=C\[C]([C])c1ccc(C2=C[CH]N([Ni](OC(=O)c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)(OC(=O)c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)N3[CH]C=C(c4ccc(C(=[CH])C=[CH])cc4)C=C3)C=C2)cc1. Metal clusters: 1 [C]1O[Ni]2(O1)O[C]O2. The MOF has largest included sphere 5.50 A, density 1.09 g/cm3, surface area 5057.49 m2/g, accessible volume 0.39 cm3/g