In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 71, No. 10 ( 2015-10-01), p. m183-m184
Abstract:
The chiral title compound, [CeNi 6 (C 3 H 6 NO 2 ) 12 ][Ce(NO 3 ) 3 (OH) 3 (H 2 O)], comprises a complex h eterometallic 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 N 2 O 4 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 Å 3 . 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.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989015017132
DOI:
10.1107/S2056989015017132/wm5213sup1.cif
DOI:
10.1107/S2056989015017132/wm5213Isup2.hkl
DOI:
10.1107/S2056989015017132/wm5213Isup3.mol
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2015
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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