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通过X射线粉末衍射数据得到的[Pd(CH₃COO)₂]ₙ

[Pd(CH3COO)2]n from X-ray powder diffraction data.

作者信息

Kirik Sergei D, Mulagaleev Ruslan F, Blokhin Alexander I

机构信息

Institute of Chemistry and Chemical Technology, 660049 Krasnoyarsk, Russia.

出版信息

Acta Crystallogr C. 2004 Sep;60(Pt 9):m449-50. doi: 10.1107/S0108270104016129. Epub 2004 Aug 21.

Abstract

The water-insoluble title compound, catena-poly[palladium(II)-di-mu-acetato-kappa4O:O'], [Pd(C2H3O2)2]n, was obtained from a nitratopalladium solution and acetic acid as a pale-pink powder. Ab initio crystal structure determination was carried out using X-ray powder diffraction techniques. Patterson and Fourier syntheses were used for atom location and the Rietveld technique was applied for the final structure refinement. The structure consists of palladium acetate complexes connected into polymeric chains running along b, in which two Pd atoms are bridged by two acetate groups that are in a cis configuration with respect to one another. The unique Pd atom lies on a site with 2/m symmetry and the acetate moieties have imposed m symmetry; these are joined into infinite chains running along the b direction. The shortest Pd...Pd distance in the row is 2.9192 (1) A. The planes of adjacent palladium complexes are inclined towards each other, the angle between the planes being approximately 30 degrees.

摘要

水不溶性标题化合物,链状聚[钯(II)-二-μ-乙酸根-κ4O:O'],[Pd(C₂H₃O₂)₂]ₙ,由硝酸钯溶液和乙酸制得,为浅粉色粉末。采用X射线粉末衍射技术进行了从头算晶体结构测定。用帕特森合成法和傅里叶合成法确定原子位置,并应用里特韦尔德技术进行最终结构精修。该结构由醋酸钯配合物连接成沿b轴方向延伸的聚合物链,其中两个钯原子由两个呈顺式构型的醋酸根基团桥连。独特的钯原子位于具有2/m对称性的位点,醋酸根部分具有m对称性;它们连接成沿b方向延伸的无限链。该链中最短的钯……钯距离为2.9192(1)Å。相邻钯配合物的平面相互倾斜,平面间夹角约为30度。

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