The crystal and molecular structure of the copper(I) chloride complex containing p-benzoquinone as a ligand.
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概要
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The crystal and molecular structure of the red compound, [(NH<SUB>4</SUB>)Cu<SUB>3</SUB>Cl<SUB>4</SUB>(C<SUB>6</SUB>H<SUB>4</SUB>O<SUB>2</SUB>)<SUB>1.5</SUB>·H<SUB>2</SUB>O], has been determined from 2115 X-ray diffraction data collected on an automated four-circle diffractometer. The crystals are monoclinic, with space group P2<SUB>1</SUB>/c, and with four formula units in a unit cell of dimensions; <I>a</I>=7.308(5), <I>b</I>=11.593(7), <I>c</I>=18.359(9) Å, and β=90.16(3)°. The structure was solved by direct methods, and block-diagonal leastsquares refinements led to a final discrepancy index, <I>R</I>, of 0.035. The crystal structure is characterized by polymeric, beehive-like layers composed of Cu<SUB>3</SUB>Cl<SUB>4</SUB><SUP>−</SUP> anions, and centro- and pseudocentrosymmetric <I>p</I>-benzoquinone molecules. Each of the <I>p</I>-benzoquinone molecules acts as a bridging ligand to the two <I>trans</I> Cu<SUB>3</SUB>Cl<SUB>4</SUB><SUP>−</SUP> anions, with the Cu–C closest distances falling in the range from 2.047(5) to 2.086(5) Å. The NH<SUB>4</SUB><SUP>+</SUP> cations and the water molecules are accommodated by a roughly coplanar arrangement within the tunnel-like holes of the beehives, and the NH<SUB>4</SUB><SUP>+</SUP> cations are joined to the layers by intra- and interlayer hydrogen bonds of the N–H···O type. The Cu<SUB>3</SUB>Cl<SUB>4</SUB><SUP>−</SUP> has a distorted cubane-type structure with one corner missing, and each Cu atom has a distorted tetrahedral coordination.
- 公益社団法人 日本化学会の論文
著者
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Yamaguchi Hiroko
Department Of Bioresources Chemistry Faculty Of Horticulture Chiba University
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Uechi Tetsuo
College of General Education, Kyushu University 01
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Ueda Ikuhiko
Colledge of General Education, Kyushu University 01
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Yasukouchi Kazuo
Department of Industrial Chemistry, Faculty of Engineering, Kumamoto University
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