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铜β辐射在晶体海绵单晶X射线结构测定中的益处。

The benefits of Cu β radiation for the single-crystal X-ray structure determination of crystalline sponges.

作者信息

Meurer Florian, von Essen Carolina, Kühn Clemens, Puschmann Horst, Bodensteiner Michael

机构信息

University of Regensburg, Universitätsstrasse 31, Regensburg, 93053 Bayern, Germany.

Merck Innovation Center, Merck KGaA, Frankfurter Strasse 250, Darmstadt, 64293 Hessen, Germany.

出版信息

IUCrJ. 2022 Mar 10;9(Pt 3):349-354. doi: 10.1107/S2052252522002147. eCollection 2022 May 1.

DOI:10.1107/S2052252522002147
PMID:35546798
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9067116/
Abstract

The crystalline sponge method facilitates the X-ray structure determination of samples that do not crystallize or are too sparsely available to afford viable crystallization. By including these materials in a metal-organic framework, the structure of the guest molecules can be determined. Some of the inherent difficulties of this method are discussed and the use of Cu β radiation is presented as a simple and effective means to improve the quality of the diffraction data that can be obtained from a sponge crystal.

摘要

晶体海绵法有助于确定那些无法结晶或因数量稀少而难以实现可行结晶的样品的X射线结构。通过将这些物质纳入金属有机框架中,可以确定客体分子的结构。本文讨论了该方法一些固有的困难,并提出使用铜β辐射作为一种简单有效的手段来提高从海绵晶体获得的衍射数据的质量。

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3
Crystalline Sponge Method: X-ray Structure Analysis of Small Molecules by Post-Orientation within Porous Crystals-Principle and Proof-of-Concept Studies.
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