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Evain, M., Petricek, V., Coue, V., Dessapt, R., Bujoli-Doeuff, M. & Jobic, S. (2006) Commensurate (C6H14N2)(2)[Mo8O26]center dot 4H(2)O and incommensurate (C6H14N2)(2)[Mo8O26]center dot 4.66H(2)O: A structural versatility linked to solvent content. Acta Crystallogr. Sect. B-Struct. Sci. 62 790–797. 
Added by: Florent Boucher (2016-05-12 13:21:36)
Type de référence: Article
DOI: 10.1107/S0108768106025791
Numéro d'identification (ISBN etc.): 0108-7681
Clé BibTeX: Evain2006b
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Catégories: MIOPS
Créateurs: Bujoli-Doeuff, Coue, Dessapt, Evain, Jobic, Petricek
Collection: Acta Crystallogr. Sect. B-Struct. Sci.
Consultations : 1/562
Indice de consultation : 4%
Indice de popularité : 1%
The syntheses and structure determinations by means of single-crystal X-ray diffraction of commensurate (C6H14N2)(2)[Mo8O26]center dot 4H(2)O and incommensurate (C6H14N2)(2)[Mo8O26]center dot 4.66H2O, two new organic-inorganic hybrid compounds based on polyoxomolybdates and differing in their solvent content, are reported. Given the important disorder observed in the latter compound, only a combination of non-harmonic waves, crenel functions and TLS tensors offered a good modelling of the structure. (C6H14N2)(2)[Mo8O26]center dot nH(2)O results from the self-assembly of [Mo8O26](4-) anionic chains, C6H14N22+ (H(2)DABCO(2+)) cations and water molecules. The [Mo8O26](4-) chain is built from gamma-[Mo8O28](8)(-) octamolybdate clusters, connected to each other through corner sharing. In both compounds, the [Mo8O26](4-) chains are separated, in a similar way, by the H(2)DABCO(2+) subunits, acting as charge-compensating cations, and by the water molecules. The orientation of the H2DABCO(2+) cations is shown to be different from what has been observed previously in monoclinic (H(2)DABCO)(2)[Mo8O26]center dot 4H(2)O, and therefore to give a different network of hydrogen bonds.
Added by: Florent Boucher  
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