Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data

Leonid A. Solovyov; Alexandr S. Fedorov; Aleksandr A. Kuzubov

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Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data

机译：来自原始中子衍射数据的十氟环己-1-烯在4.2 K时的完整晶体结构

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The crystal structure model of decafluorocyclohex-1-ene at 4.2 K derived from simulated powder diffraction data and solid-state energy minimization [Smr?ok et al. (2013). Acta Cryst. B69, 395-404] is found to be incomplete. In this study it is completed by an additional alternative molecular orientation revealed from the difference density analysis and direct space search. The structure is refined by the derivative difference method in the rigid-body approximation leading to perfect agreement between observed and calculated neutron powder patterns.

机译：由模拟粉末衍射数据和固态能量最小化得出的十氟环己-1-烯在4.2 K时的晶体结构模型[Smr？ok等。（2013）。 Acta Cryst。 [B69，395-404]不完整。在这项研究中，它是通过差异密度分析和直接空间搜索揭示的另一种替代分子取向来完成的。通过在刚体近似中的导数差异法改进结构，从而使观察到的和计算出的中子粉末图案之间达到完美的一致性。

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《Acta Crystallographica, Section B. Structural Science》 |2014年第2期|共3页
作者
Leonid A. Solovyov; Alexandr S. Fedorov; Aleksandr A. Kuzubov;
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正文语种 eng
中图分类晶体学;
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Complete; crystal; structure;

机译：完整;晶体;结构;

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1. Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data [J] . Leonid A. Solovyov, Alexandr S. Fedorov, Aleksandr A. Kuzubov Acta Crystallographica, Section B. Structural Science . 2014,第2期

机译：来自原始中子衍射数据的十氟环己-1-烯在4.2 K时的完整晶体结构
2. The crystal structure of perdeuterated methanol monoammoniate (CD3OD center dot ND3) determined from neutron powder diffraction data at 4.2 and 180 K [J] . Fortes AD, Wood IG, Knight KS Journal of Applied Crystallography . 2009,第6期

机译：由4.2和180 K的中子粉末衍射数据确定的氘化一铵甲醇（CD3OD中心点ND3）的晶体结构
3. Decafluorocyclohex-1-ene at 4.2 K – crystal structure and theoretical analysis of weak interactions [J] . Lubomír Smr?ok, Pavel Mach, Armel Le Bail Acta Crystallographica, Section B. Structural science, crystal engineering and materials . 2013,第4期

机译：十氟环己-1-烯在4.2 K时的晶体结构和弱相互作用的理论分析
4. Precise magnetic structures of hard ferromagnets of Nd_2Fe_(14)B type as determined at low temperature from single crystal neutron diffraction [C] . P.Wolfers, M.Bacmann, D.Fruchart Regional conference on magnetic and superconducting materials . 2000

机译：如单晶中子衍射低温确定的ND_2FE_（14）B型硬铁磁体的精确磁性结构
5. Crystal structures of various organic materials and a statistical analysis of single crystal X -ray diffraction data from potassium -doped barium plumbate. [D] . May, Jerome Gerard. 2000

机译：各种有机材料的晶体结构和掺钾铅酸钡钡的单晶X射线衍射数据的统计分析。
6. Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure. [O] . M C Wiener, S H White 1992

机译：通过联合完善X射线和中子衍射数据确定的流体二油酰基磷脂酰胆碱双层结构。三完整的结构。
7. The crystal structure of perdeuterated methanol hemiammoniate (CD3OD·0.5ND3) determined from neutron powder diffraction data at 4.2 and 180 K [O] . Fortes Andrew Dominic, Wood I.G., Knight K.S. 2010

机译：由4.2和180 K下的中子粉末衍射数据确定全氘化的棉氨酸甲醇（CD3OD·0.5ND3）的晶体结构

Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data

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