NiC16H18(NO2)4(CH2)4(CH)8 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four 02329_fluka molecules, one p-xylene molecule, and one NiC16H18(NO2)4 cluster. In the NiC16H18(NO2)4 cluster, Ni(1) is bonded in a square co-planar geometry to one N(1), one N(2), one O(3), and one O(4) atom. The Ni(1)-N(1) bond length is 1.91 Å. The Ni(1)-N(2) bond length is 1.91 Å. The Ni(1)-O(3) bond length is 1.86 Å. The Ni(1)-O(4) bond length is 1.87 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one C(9), and one N(3) atom. The C(1)-C(3) bond length is 1.41 Å. The C(1)-C(9) bond length is 1.41 Å. The C(1)-N(3) bond length is 1.39 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(10), one C(4), and one N(4) atom. The C(2)-C(10) bond length is 1.41 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-N(4) bond length is 1.39 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(7) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(7) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one N(2), and one H(8) atom. The C(4)-N(2) bond length is 1.35 Å. The C(4)-H(8) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(9) atom. The C(5)-C(7) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(9) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(10) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(10) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5) and one H(11) atom. The C(7)-H(11) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(6) and one H(12) atom. The C(8)-H(12) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(1) and one H(13) atom. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(2) and one H(14) atom. The C(10)-H(14) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(13), one N(3), and one O(1) atom. The C(11)-C(13) bond length is 1.52 Å. The C(11)-N(3) bond length is 1.38 Å. The C(11)-O(1) bond length is 1.24 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(14), one N(4), and one O(2) atom. The C(12)-C(14) bond length is 1.52 Å. The C(12)-N(4) bond length is 1.38 Å. The C(12)-O(2) bond length is 1.24 Å. In the thirteenth C site, C(13) is bonded in a distorted water-like geometry to one C(11), one H(15), and one H(17) atom. The C(13)-H(15) bond length is 1.10 Å. The C(13)-H(17) bond length is 1.10 Å. In the fourteenth C site, C(14) is bonded in a distorted water-like geometry to one C(12), one H(16), and one H(18) atom. The C(14)-H(16) bond length is 1.10 Å. The C(14)-H(18) bond length is 1.10 Å. In the fifteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(5) atom. The C(19)-O(3) bond length is 1.29 Å. The C(19)-O(5) bond length is 1.25 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(6) atom. The C(20)-O(4) bond length is 1.30 Å. The C(20)-O(6) bond length is 1.25 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(3), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(4), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(11), and one H(5) atom. The N(3)-H(5) bond length is 1.05 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(12), one C(2), and one H(6) atom. The N(4)-H(6) bond length is 1.03 Å. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. The H(2)-O(8) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(7) atom. The H(3)-O(6) bond length is 1.70 Å. The H(3)-O(7) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(5) and one O(8) atom. The H(4)-O(5) bond length is 1.58 Å. The H(4)-O(8) bond length is 1.02 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(13) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(14) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(13) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(14) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(11) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(12) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(19) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(20) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one C(19) and one H(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one C(20) and one H(3) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one H(1) and one H(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one H(2) and one H(4) atom. Linkers: 1 O=C(CCCCCCC(=O)Nc1cccnc1)Nc1cccnc1 ,1 [O]C(=O)Cc1ccc(CC([O])=O)cc1. Metal clusters: 1 O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 2.16 A, density 1.49 g/cm3, surface area 5058.84 m2/g, accessible volume 0.14 cm3/g