Crystal and molecular structure of tetrabutylammonium bis(1,4-dithiin-2,3-dithiolato)nickelate(III), (Bun4N)[Ni(ddt)2].

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概要

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• The crystal structure of tetrabutylammonium salt of a new multi-sulfur 1,3-dithiolene complex, (Bu<I><SUP>n</SUP></I><SUB>4</SUB>N)[Ni(ddt)<SUB>2</SUB>] (ddt=1,4-dithiin-2,3-dithiolato) has been determined by the single-crystal X-ray diffraction technique. Crystals are monoclinic, space group <I>C</I>2⁄<I>c</I>, <I>a</I>=66.107(40), <I>b</I>=9.182(5), <I>c</I>=19.119(12) Å, β=147.29(3)°, <I>V</I>=6271(1) Å<SUP>3</SUP>, and <I>Z</I>=8. The structure was solved by the heavy atom method, and refined by a block-diagonal least-squares method to <I>R</I>=0.070. There are two crystallographically independent molecules of Ni(ddt)<SUB>2</SUB>, molecule-A and molecule-B. Molecule-B forms segregated uniform stacks along the b-axis. The (Bu<I><SUP>n</SUP></I><SUB>4</SUB>N)<SUP>+</SUP> cations are located between two molecular planes of molecule-A. The Ni(ddt)<SUB>2</SUB> molecules are almost planar except two terminal vinylene moieties, which are folded to opposite side each other and the folding angles of molecule-A and molecule-B are 28° and 39°, respectively.

• 公益社団法人 日本化学会の論文

著者

• Kato Reizo

  Department Of Chemistry Faculty Of Science Saitama University

• Kobayashi Hayao

  Department Of Chemistry Faculty Of Science Toho University

• Shirota Yasuhiko

  Department Of Applied Chemistry Faculty Of Engineering Osaka University

• Nakamura Tadashi

  Department Of Anesthesia Junwakai Memorial Hospital

• Kobayashi Akiko

  Department Of Biopharmaceutics Meiji Pharmaceutical University

• Nogami Takashi

  Department of Applied Chemistry, Faculty of Engineering, Osaka University

• Sasaki Yukiyoshi

  Department of Chemistry and The Research Centre for Spectrochemistry, Faculty of Science, The University of Tokyo

• Kim Hyernjoo

  Department of Chemistry, Faculty of Science, The University of Tokyo

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