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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Modulated one-dimensional structure of [Cd(NH3)(3)Ni(CN)(4)]
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Modulated one-dimensional structure of [Cd(NH3)(3)Ni(CN)(4)]

机译：[Cd（NH3）（3）Ni（CN）（4）]的一维结构调制

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The crystal structure of [Cd(NH3)(3)Ni(CN)(4)] has been solved and refined as an incommensurate structure in four-dimensional superspace. The Xcalibur point-detector diffractometer was used for data collection up to the third-order satellites. The structure was refined from 3496 observed reflections to a final R value of 0.0371. The modulation strongly affects all the atoms of the structure. The dominating feature of the modulation is the incommensurate alternation between octahedrally and tetrahedrally coordinated Cd atoms in the electroneutral chains [-Cd(NH3)(n)-NC-Ni(CN)(2)-CN-](∞) (n alternates between 2 and 4). The chain is propagated along the a axis, in which the [Cd(NH3)(n)](2+) cations are linked by square [Ni(CN)(4)](2-) anions. The atomic positional modulations, having mainly a transversal character in the c-direction, exhibit a switching character that can be described by the crenel and sawtooth functions. The effectively pentagonal coordinated cadmium positions were detected in the intermediate regions.
机译：[Cd（NH3）（3）Ni（CN）（4）]的晶体结构已被解析和提炼为二维超空间中的不规则结构。 Xcalibur点检测器衍射仪用于收集三阶卫星的数据。从3496个观察到的反射中将结构细化为最终的R值为0.0371。调制强烈影响结构的所有原子。调制的主要特征是电子中性链[-Cd（NH3）（n）-NC-Ni（CN）（2）-CN-]（＆INFIN;）（n在2和4之间交替显示）。该链沿a轴传播，其中[Cd（NH3）（n）]（2+）阳离子通过方形[Ni（CN）（4）]（2-）阴离子连接。原子位置调制主要在c方向具有横向特征，显示出可以由crenel和锯齿函数描述的切换特征。在中间区域检测到有效的五边形协调的镉位置。

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