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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >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
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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

机译：相称（C6H14N2）（2）[Mo8O26]中心点4H（2）O和相称（C6H14N2）（2）[Mo8O26]中心点4.66H（2）O：与溶剂含量有关的结构通用性

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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.
机译：相称（C6H14N2）（2）[Mo8O26]中心点4H（2）O和不相称（C6H14N2）（2）[Mo8O26]中心点4.66H2O的单晶X射线衍射法合成和结构确定据报道，新的基于聚氧钼酸盐的有机-无机杂化化合物及其溶剂含量不同。考虑到在后一种化合物中观察到的重要无序现象，只有非谐波波，锥函数和TLS张量的组合才能提供良好的结构建模。 （C6H14N2）（2）[Mo8O26]中心点nH（2）O由[Mo8O26]（4-）阴离子链，C6H14N22 +（H（2）DABCO（2+））阳离子和水分子的自组装产生。 [Mo8O26]（4-）链由γ-[Mo8O28]（8）（-）八钼酸盐簇构建而成，它们通过边角共享相互连接。在这两种化合物中，[Mo8O26]（4-）链均以相似的方式被充当电荷补偿阳离子的H（2）DABCO（2+）亚基和水分子隔开。 H2DABCO（2+）阳离子的方向显示出与以前在单斜（H（2）DABCO）（2）[Mo8O26]中心点4H（2）O中观察到的方向不同，因此具有不同的方向氢键网络。

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