(NiC20H18(N2O3)2)3(C9PH6O)2 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six tri(propen-2-yl)phosphine oxide molecules and nine NiC20H18(N2O3)2 clusters. In each NiC20H18(N2O3)2 cluster, Ni(1) is bonded in an octahedral geometry to two equivalent N(2), two equivalent O(2), and two equivalent O(3) atoms. Both Ni(1)-N(2) bond lengths are 2.05 Å. Both Ni(1)-O(2) bond lengths are 2.12 Å. Both Ni(1)-O(3) bond lengths are 2.17 Å. There are ten inequivalent C sites. In the first C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(9)-C(4) bond length is 1.51 Å. The C(9)-O(2) bond length is 1.28 Å. The C(9)-O(4) bond length is 1.27 Å. In the second C site, C(10) is bonded in a distorted single-bond geometry to one C(2) and one H(6,8) atom. The C(10)-C(2) bond length is 1.40 Å. The C(10)-H(6,8) bond length is 1.09 Å. In the third C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(9) atom. The C(11)-N(1) bond length is 1.37 Å. The C(11)-N(2) bond length is 1.33 Å. The C(11)-H(9) bond length is 1.08 Å. In the fourth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(1), and one H(10) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-N(1) bond length is 1.39 Å. The C(12)-H(10) bond length is 1.08 Å. In the fifth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one N(2), and one H(11) atom. The C(13)-N(2) bond length is 1.38 Å. The C(13)-H(11) bond length is 1.08 Å. In the sixth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(10), one C(7), and one N(1) atom. The C(2)-C(7) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.42 Å. In the seventh C site, C(4) is bonded in a trigonal planar geometry to one C(6), one C(8), and one C(9) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-C(8) bond length is 1.40 Å. In the eighth C site, C(6) is bonded in a distorted single-bond geometry to one C(4) and one H(5,7) atom. The C(6)-H(5,7) bond length is 1.09 Å. In the ninth C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(6,8) atom. The C(7)-H(6,8) bond length is 1.09 Å. In the tenth C site, C(8) is bonded in a distorted single-bond geometry to one C(4) and one H(5,7) atom. The C(8)-H(5,7) 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 C(11), one C(12), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(11), and one C(13) atom. There are seven inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.97 Å. In the second H site, H(3) is bonded in a linear geometry to one O(3) and one O(4) atom. The H(3)-O(3) bond length is 1.02 Å. The H(3)-O(4) bond length is 1.58 Å. In the third H site, H(5,7) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(6,8) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(13) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(2), and one H(3) atom. In the third O site, O(4) is bonded in a water-like geometry to one C(9) and one H(3) atom. Linkers: 3 c1cn(-c2ccc(-n3ccnc3)cc2)cn1 ,2 [O]C(=O)c1ccc(P(=O)(c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)cc1. Metal clusters: 3 O.O.O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 6.45 A, density 1.24 g/cm3, surface area 4890.56 m2/g, accessible volume 0.33 cm3/g