NiC10H12(N9S)2(CH2)4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four 02329_fluka molecules and one NiC10H12(N9S)2 cluster. In the NiC10H12(N9S)2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(8), and two equivalent N(9) atoms. Both Ni(1)-N(1) bond lengths are 2.07 Å. Both Ni(1)-N(8) bond lengths are 2.09 Å. Both Ni(1)-N(9) bond lengths are 2.05 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(4) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(5), one N(8), and one H(2) atom. The C(2)-N(5) bond length is 1.34 Å. The C(2)-N(8) bond length is 1.33 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(3), and one H(4) atom. The C(3)-N(4) bond length is 1.46 Å. The C(3)-H(3) bond length is 1.10 Å. The C(3)-H(4) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one N(5), one H(10), and one H(9) atom. The C(6)-N(5) bond length is 1.46 Å. The C(6)-H(10) bond length is 1.10 Å. The C(6)-H(9) bond length is 1.10 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one N(9) and one S(1) atom. The C(7)-N(9) bond length is 1.19 Å. The C(7)-S(1) bond length is 1.62 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.30 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.35 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.30 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.36 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(2), and one N(7) atom. In the ninth N site, N(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(7) atom. There are six 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(3) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(6) atom. S(1) is bonded in a single-bond geometry to one C(7) atom. Linkers: 2 c1nnnn1CCCCn1cnnn1. Metal clusters: 1 [Ni]. The MOF has largest included sphere 2.56 A, density 1.60 g/cm3, surface area 4622.83 m2/g, accessible volume 0.16 cm3/g