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 imp...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.展开更多
基金supported by the National Natural Science Foundation of China(Nos.21671003 and 21201005)the High Performance Computing Center of Henan Normal University and the 111 Project(No.D17007)。
文摘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.
