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在高压下研究晶体中的弱相互作用:硬件的重要性。

Studying weak inter-actions in crystals at high pressures: when hardware matters.

作者信息

Zakharov Boris A, Gal Zoltan, Cruickshank Dyanne, Boldyreva Elena V

机构信息

Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Kutateladze Str. 18, Novosibirsk, 630128, Russian Federation.

Novosibirsk State University, Pirogova Str. 2, Novosibirsk, 630090, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Apr 17;74(Pt 5):613-619. doi: 10.1107/S205698901800470X. eCollection 2018 May 1.

Abstract

The quality of structural models for 1,2,4,5-tetra-bromo-benzene (TBB), CHBr, based on data collected from a single crystal in a diamond anvil cell at 0.4 GPa using two different diffractometers belonging to different generations have been compared, together with the effects of applying different data-processing strategies.

摘要

基于在0.4吉帕压力下使用属于不同代的两台不同衍射仪从金刚石对顶砧盒中的单晶收集的数据,对1,2,4,5 - 四溴苯(TBB)、CHBr的结构模型质量进行了比较,并探讨了应用不同数据处理策略的影响。

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