NiC16H14(NO2)2CH2C4H5 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules, two isobutylene molecules, and one NiC16H14(NO2)2 cluster. In the NiC16H14(NO2)2 cluster, Ni(1) is bonded in a square pyramidal geometry to one N(1), one O(1), one O(2), one O(3), and one O(4) atom. The Ni(1)-N(1) bond length is 1.98 Å. The Ni(1)-O(1) bond length is 2.04 Å. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(3) bond length is 2.12 Å. The Ni(1)-O(4) bond length is 2.01 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(2) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(1), and one H(2) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-N(1) bond length is 1.38 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(3) atom. The C(3)-N(2) bond length is 1.38 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(4), and one H(5) atom. The C(4)-N(2) bond length is 1.46 Å. The C(4)-H(4) bond length is 1.10 Å. The C(4)-H(5) bond length is 1.10 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(6)-C(7) bond length is 1.50 Å. The C(6)-O(1) bond length is 1.28 Å. The C(6)-O(2) bond length is 1.28 Å. In the sixth C site, C(7) is bonded in a trigonal planar geometry to one C(12), one C(6), and one C(8) atom. The C(7)-C(12) bond length is 1.40 Å. The C(7)-C(8) bond length is 1.40 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one H(8) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(8) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(9) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(9) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(9) atom. The C(10)-C(11) bond length is 1.41 Å. The C(10)-C(13) bond length is 1.50 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(10) atom. The C(11)-H(10) bond length is 1.09 Å. In the eleventh C site, C(12) is bonded in a distorted single-bond geometry to one C(7) and one H(11) atom. The C(12)-H(11) bond length is 1.09 Å. In the twelfth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one H(12), one H(13), and one H(14) atom. The C(13)-H(12) bond length is 1.10 Å. The C(13)-H(13) bond length is 1.10 Å. The C(13)-H(14) bond length is 1.10 Å. In the thirteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(3), and one O(4) atom. The C(14)-C(15) bond length is 1.49 Å. The C(14)-O(3) bond length is 1.28 Å. The C(14)-O(4) bond length is 1.28 Å. In the fourteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(20) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(20) bond length is 1.40 Å. In the fifteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one H(15) atom. The C(16)-H(15) bond length is 1.09 Å. In the sixteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(15) and one H(18) atom. The C(20)-H(18) 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(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. There are fourteen 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(20) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(6) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ni(1) and one C(14) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ni(1) and one C(14) atom. Linkers: 1 c1cn(CCCCn2ccnc2)cn1. Metal clusters: 2 [Ni]. The MOF has largest included sphere 2.56 A, density 1.50 g/cm3, surface area 4906.37 m2/g, accessible volume 0.15 cm3/g