The crystal and molecular structures of bis(2-methylpyridine)-, and bis(3-methylpyridine)bis(thiocyanato)cadmium(II) in polymeric forms, [Cd(SCN)2(CH3C5H4N)2]n.

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概要

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• The crystal and molecular structures of the title complexes were determined by the single-crystal X-ray diffraction method. Both of them are triclinic, with the space group <I>P</I>\bar1. The crystallographic data: 2-methylpyridine (α-pic) adduct, <I>a</I>=11.076(3), <I>b</I>=18.478(8), <I>c</I>=9.299(3)Å, α=104.60(3), β=114.84(2), γ=81.12(3)°, <I>Z</I>=4, final <I>R</I> value is 0.037; 3-methylpyridine (β-pic) adduct, <I>a</I>=8.7667(16), <I>b</I>=16.655(4), <I>c</I>=5.8447(10)Å, α=91.406(18), β=100.571(14), γ=92.525(18)°, <I>Z</I>=2, final <I>R</I> value is 0.041. In both complexes, all cadmium atoms are in 4<I>N</I>2<I>S</I>-hexa-coordination, being in an octahedral geometry; they are oriented as any pair of side-by-side metal atoms being bridged by two thiocyanate ions. In the α-pic adduct, the chain is oriented approximately along the [111] axis. In the chain, the metal atoms in two kinds of orientations appear alternately: Around one kind of the metal atoms three kinds of ligating atoms are all in <I>trans</I>-configurations, and around the other kind of the metal atoms the respective pairs of N(base) and S(SCN) atoms are in <I>cis</I> and the pair of the N(SCN) atoms in a <I>trans</I>-configuration. In the β-pic adduct, the chain is along the [001] axis and pairs of three kinds of ligating atoms are all in <I>trans</I>-configurations.

• 公益社団法人 日本化学会の論文

著者

• Sugita Yoshihiko

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

• Taniguchi Masahiro

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

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