NiC10H12(NO3)2(CH)8 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of sixteen 02329_fluka molecules, four isobutylene molecules, and four NiC10H12(NO3)2 clusters. In each NiC10H12(NO3)2 cluster, Ni(1) is bonded in an octahedral geometry to one N(1), one N(5), one O(1), one O(10), one O(17), and one O(5) atom. The Ni(1)-N(1) bond length is 2.04 Å. The Ni(1)-N(5) bond length is 2.04 Å. The Ni(1)-O(1) bond length is 2.15 Å. The Ni(1)-O(10) bond length is 2.16 Å. The Ni(1)-O(17) bond length is 2.22 Å. The Ni(1)-O(5) bond length is 2.09 Å. There are ten inequivalent C sites. In the first C site, C(45) is bonded in a distorted bent 120 degrees geometry to one C(61), one N(5), and one H(49) atom. The C(45)-C(61) bond length is 1.39 Å. The C(45)-N(5) bond length is 1.35 Å. The C(45)-H(49) bond length is 1.09 Å. In the second C site, C(49) is bonded in a distorted bent 120 degrees geometry to one C(53), one N(5), and one H(53) atom. The C(49)-C(53) bond length is 1.39 Å. The C(49)-N(5) bond length is 1.35 Å. The C(49)-H(53) bond length is 1.09 Å. In the third C site, C(53) is bonded in a distorted trigonal planar geometry to one C(49), one C(65), and one H(57) atom. The C(53)-C(65) bond length is 1.40 Å. The C(53)-H(57) bond length is 1.09 Å. In the fourth C site, C(61) is bonded in a distorted trigonal planar geometry to one C(45), one C(65), and one H(69) atom. The C(61)-C(65) bond length is 1.40 Å. The C(61)-H(69) bond length is 1.09 Å. In the fifth C site, C(65) is bonded in a trigonal planar geometry to one C(53), one C(61), and one C(69) atom. The C(65)-C(69) bond length is 1.50 Å. In the sixth C site, C(69) is bonded in a distorted water-like geometry to one C(65), one H(73), and one H(77) atom. The C(69)-H(73) bond length is 1.10 Å. The C(69)-H(77) bond length is 1.10 Å. In the seventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(29) atom. The C(17)-N(1) bond length is 1.34 Å. The C(17)-H(29) bond length is 1.09 Å. In the eighth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one O(21) and one O(5) atom. The C(29)-O(21) bond length is 1.27 Å. The C(29)-O(5) bond length is 1.28 Å. In the ninth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(41) atom. The C(33)-N(1) bond length is 1.35 Å. The C(33)-H(41) bond length is 1.09 Å. In the tenth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(14) atom. The C(38)-O(10) bond length is 1.27 Å. The C(38)-O(14) bond length is 1.29 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(17), and one C(33) atom. In the second N site, N(5) is bonded in a trigonal planar geometry to one Ni(1), one C(45), and one C(49) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(21) atom. The H(1)-O(1) bond length is 1.02 Å. The H(1)-O(21) bond length is 1.62 Å. In the second H site, H(5) is bonded in a single-bond geometry to one O(1) atom. The H(5)-O(1) bond length is 0.99 Å. In the third H site, H(9) is bonded in a distorted single-bond geometry to one O(17) atom. The H(9)-O(17) bond length is 1.00 Å. In the fourth H site, H(13) is bonded in a single-bond geometry to one O(17) atom. The H(13)-O(17) bond length is 0.98 Å. In the fifth H site, H(29) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(41) is bonded in a single-bond geometry to one C(33) atom. In the seventh H site, H(49) is bonded in a single-bond geometry to one C(45) atom. In the eighth H site, H(53) is bonded in a single-bond geometry to one C(49) atom. In the ninth H site, H(57) is bonded in a single-bond geometry to one C(53) atom. In the tenth H site, H(69) is bonded in a single-bond geometry to one C(61) atom. In the eleventh H site, H(73) is bonded in a single-bond geometry to one C(69) atom. In the twelfth H site, H(77) is bonded in a single-bond geometry to one C(69) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one H(1), and one H(5) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(29) atom. In the third O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(38) atom. In the fourth O site, O(14) is bonded in a distorted single-bond geometry to one C(38) atom. In the fifth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(13), and one H(9) atom. In the sixth O site, O(21) is bonded in a water-like geometry to one C(29) and one H(1) atom. Linkers: 4 c1cc(CCc2ccncc2)ccn1 ,2 [c]1cc(CCc2ccncc2)ccn1 ,4 [O]C(=O)/C=C/C=C/C([O])=O. Metal clusters: 4 O.O.[O][C]O[Ni]O[C]=O. The MOF has largest included sphere 5.60 A, density 1.27 g/cm3, surface area 4792.37 m2/g, accessible volume 0.26 cm3/g