The structure of diaquatris(1,1,1-trifluoro-2,4-pentanedionato)neodymium(III)-acetone (1/1).

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概要

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• The crystal and molecular structure of the title complex was determined by means of the singlecrystal X-ray diffraction method. The crystal of NdC<SUB>18</SUB>H<SUB>22</SUB>O<SUB>9</SUB>F<SUB>9</SUB>, F.W. 697.59, is orthorhombic, with a space group <I>Pbna</I>, <I>a</I>=22.068(5), <I>b</I>=22.293(4), <I>c</I>=11.020(2) Å, <I>U</I>=5421(2) Å<SUP>3</SUP>, <I>Z</I>=8, <I>D</I><SUB>m</SUB>=1.72(3), <I>D</I><SUB>x</SUB>=1.71 Mg m<SUP>−3</SUP>, and μ(Mo <I>K</I>α)=20.46 cm<SUP>−1</SUP>. The central metal atom is octa-coordinated, being ligated with six β-diketonato and two water oxygen atoms, and is in a dodecahedral geometry. Two configurational isomers co-exist in the crystal, with the respective occupancy factors of 74 and 26%. In these isomers, the two chelate rings span in different ways; although the positions of all ligating oxygen atoms are the same, the chelates span two m-edges in one isomer and two g-edges in the other one.

• 公益社団法人 日本化学会の論文

著者

• Tomoda Shuji

  Department Of Chemistry College Of Arts And Sciences The University Of Tokyo

• Nakamura Reiko

  Department Of Biopharmaceutics Kyoto Pharmaceutical University

• Shimoi Mamoru

  Department Of Basic Science Graduate School Of Arts And Sciences The University Of Tokyo

• Takeuchi Yoshito

  Department Of Applied Chemistry Nagoya Institute Of Technology

• NAKAMURA Masao

  Department of Applied Physics, The University of Tokyo

• Ouchi Akira

  Department of Chemistry, College of Arts and Sciences, The University of Tokyo

• Nagai Kiyofumi

  Department of Chemistry, College of Arts and Sciences, The University of Tokyo

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