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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism
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Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism

机译:超空间形式内室温下尿素/辛二酸复合晶体的平均结构

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The average structure of the composite urea/octanedioic acid has been refined using the superspace formalism [superspace group H'3(1)21(00 gamma )00 (1) over bar]. Modulation effects seem to be almost negligible. The guest substructure appears to be largely disordered and has been modelled using rigid units occupying 12 equiprobable different orientations inside the urea tunnels. Guest molecules are slightly tilted with respect to the tunnel axis favouring a stronger guest-guest intratunnel interaction. [References: 15]
机译:复合尿素/辛二酸的平均结构已使用超空间形式主义[在bar上的超空间组H'3(1)21(00γ)00(1)进行了精炼。调制效果似乎几乎可以忽略不计。客体子结构似乎无序,并且已使用尿素通道内占据12个等概率不同方向的刚性单元进行建模。客体分子相对于隧道轴略微倾斜,有利于更强的客客通道内相互作用。 [参考:15]

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