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关于无序精修，很快见刊，用的上就推荐并引用吧 （Chinese Journal of Structural Chemistry，DOI: 10.14102/j.cnki.0254-5861.2011-2494），全文见附件 Disordered Fragments of Chemical Structures Based on Single-crystal X-ray Diffraction ABSTRACT： For the reported chemical structures, the disordered fragments of the structure acting as hosts and guests are common and unmanageable for crystallographers. How to analyze and treat such disordered assemblies is an important task for crystallographers. It is often difficult for some researchers to refine the disordered structures, even to mechanically justify the refined consequence in the absence of expertise. Herein, some examples of disorder refinements selected from the literature, including the disordered assemblies of nitrate, perchlorate, alkyl, aromatic assemblies, and guest solvent molecules, are summarized and discussed to provide practical advice for investigating the disorders for crystallographic researchers and beginners. The refinement approach for these disordered assemblies is also discussed in detail, which is helpful for crystallographers. |
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2019-11-06 09:52:17, 2.15 M
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2楼2019-11-07 23:03:37
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2019-11-26 17:22
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五星好评 顶一下，感谢分享！
2020-04-28 16:44
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五星好评 顶一下，感谢分享！