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catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]

By Jeffrey A. Bertke, Allen G. Oliver and Kenneth W. Henderson

Abstract

The asymmetric unit of the title compound, [Nd2(C6H5COO)5Cl(C4H8O2)]·2.5C4H8O2, consists of two NdIII ions bridged by one Cl− ion, five benzoate ions and one coordinating 1,4-dioxane mol­ecule. One NdIII ion is nine-coordinate, with a very distorted monocapped square-anti­prismatic geometry. It is coordinated by two chelating carboxyl­ate groups, three monodentate carboxyl­ate groups, one chloride ion and one dioxane mol­ecule. A second independent NdIII ion is eight-coordinated in a distorted square-anti­prismatic geometry by one chelating carboxyl­ate group, five monodentate carboxyl­ate groups and one chloride ion. The chains of the extended structure are parallel to the crystallographic b axis. There is a small amount of void space which is filled with five disordered dioxane solvent mol­ecules per unit cell. The intensity contribution of the disordered solvent molecules was removed by applying the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155]

Topics: Metal-Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3344409
Provided by: PubMed Central
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    Citations

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    2. (2009). Disordered solvent could not be reliably modeled and was thus omitted from the model through the use of SQUEEZE (Spek,
    3. (2012). Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) xyzU iso*/Ueq Occ.
    4. (2010). metal-organic compounds m690 Bertke et al. doi:10.1107/S1600536812017746 Acta Cryst.

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