Crystal structure of an unknown solvate of dodecakis­(μ2-alaninato-1:2κ2O:NO)cerium(III)hexa­nickel(II) aqua­tris­(hydroxido-κO)tris­(nitrato-κ2OO′)cerate(III)

摘要

The chiral title compound, [CeNi6(C3H6NO2)12][Ce(NO3)3(OH)3(H2O)], comprises a complex heterometallic Ni/Ce cation and a homonuclear Ce anion. Both the cation and anion exhibit point group symmetry 3. with the Ce^III atom situated on the threefold rotation axis. The cation metal core consists of six Ni^II atoms coordinated in a slightly distorted octa­hedral N2O4 configuration by N and O atoms of 12 deprotonated l-alaninate ligands exhibiting both bridging and chelating modes. This metal–organic coordination motif encapsulates one Ce^III atom that shows an icosa­hedral coordination by the O-donor atoms of the l-alaninate ligands, with Ce—O distances varying in the range 2.455 (5)–2.675 (3) Å. In the anion, the central Ce^III ion is bound to three bidentate nitrate ligands, to three hydroxide ligands and to one water mol­ecule, with Ce—O distances in the range 2.6808 (19)–2.741 (2) Å. The H atoms of the coordinating water mol­ecule are disordered over three positions due to its location on a threefold rotation axis. Disorder is also observed in fragments of two l-alaninate ligands, with occupancy ratios of 0.608 (14):0.392 (14) and 0.669 (8):0.331 (8), respectively, for the two sets of sites. In the crystal, the complex cations and anions assemble through O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional network with large voids of approximately 1020 ų. The contributions of highly disordered ethanol and water solvent mol­ecules to the diffraction data were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C>71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown amount of these solvent mol­ecules.