Limits...
Crystal structure of [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O.

Le Natur F, Calvez G, Guillou O, Daiguebonne C, Bernot K - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules.The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion.The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

View Article: PubMed Central - HTML - PubMed

Affiliation: INSA, UMR 6226, Institut des Sciences Chimiques de Rennes, 35 708 Rennes, France.

ABSTRACT
The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24](8+), in which the six Y(3+) cations are arranged octa-hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa-hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules. The resulting coordination sphere of the metal ions is a capped square-anti-prism. The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

No MeSH data available.


Related in: MedlinePlus

The asymmetric unit of the title complex. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4257455&req=5

fig1: The asymmetric unit of the title complex. Displacement ellipsoids are drawn at the 50% probability level.

Mentions: In contrast to the ortho­rhom­bic [Ln6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La—Nd, Eu—Tb, Dy (Mudring & Babai, 2005 ▶; Mudring et al., 2006 ▶; Rukk et al., 2009 ▶), the crystal structure of the yttrium member of this series has monoclinic symmetry, with the monoclinic angle close to 90° (Table 2 ▶). The asymmetric unit of [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O contains half of the formula unit because the complete complex is situated on a centre of inversion. Three independent yttrium cations (Y1, Y2 and Y3), four oxygen atoms from μ3-hydroxyl groups (O1, O2, O3, O4), twelve oxygen atoms of terminal aqua ligands coordin­ating to each yttrium cation (Y1: O5, O6, O7, O8; Y2: O9, O10, O11, O12; Y3: O13, O14, O15 O16), one μ6-bridging O atom (O) lying on an inversion centre, four iodide anions (I1, I2, I3, I4) and four oxygen atoms of lattice water mol­ecules (OW1, OW2, OW3, OW4) are present in the crystal structure (Fig. 1 ▶). Calculations with the SHAPE software suite (Alvarez et al., 2005 ▶) indicate that each of the coordination polyhedra surrounding the Y3+ ions is best described as a spherical capped square-anti­prism (Ruiz-Martínez et al., 2010 ▶) with idealized C4v symmetry. However, the true symmetry of this structural fragment in the title structure is C1.


Crystal structure of [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O.

Le Natur F, Calvez G, Guillou O, Daiguebonne C, Bernot K - Acta Crystallogr Sect E Struct Rep Online (2014)

The asymmetric unit of the title complex. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257455&req=5

fig1: The asymmetric unit of the title complex. Displacement ellipsoids are drawn at the 50% probability level.
Mentions: In contrast to the ortho­rhom­bic [Ln6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La—Nd, Eu—Tb, Dy (Mudring & Babai, 2005 ▶; Mudring et al., 2006 ▶; Rukk et al., 2009 ▶), the crystal structure of the yttrium member of this series has monoclinic symmetry, with the monoclinic angle close to 90° (Table 2 ▶). The asymmetric unit of [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O contains half of the formula unit because the complete complex is situated on a centre of inversion. Three independent yttrium cations (Y1, Y2 and Y3), four oxygen atoms from μ3-hydroxyl groups (O1, O2, O3, O4), twelve oxygen atoms of terminal aqua ligands coordin­ating to each yttrium cation (Y1: O5, O6, O7, O8; Y2: O9, O10, O11, O12; Y3: O13, O14, O15 O16), one μ6-bridging O atom (O) lying on an inversion centre, four iodide anions (I1, I2, I3, I4) and four oxygen atoms of lattice water mol­ecules (OW1, OW2, OW3, OW4) are present in the crystal structure (Fig. 1 ▶). Calculations with the SHAPE software suite (Alvarez et al., 2005 ▶) indicate that each of the coordination polyhedra surrounding the Y3+ ions is best described as a spherical capped square-anti­prism (Ruiz-Martínez et al., 2010 ▶) with idealized C4v symmetry. However, the true symmetry of this structural fragment in the title structure is C1.

Bottom Line: In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules.The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion.The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

View Article: PubMed Central - HTML - PubMed

Affiliation: INSA, UMR 6226, Institut des Sciences Chimiques de Rennes, 35 708 Rennes, France.

ABSTRACT
The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24](8+), in which the six Y(3+) cations are arranged octa-hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa-hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules. The resulting coordination sphere of the metal ions is a capped square-anti-prism. The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

No MeSH data available.


Related in: MedlinePlus