The Crystal Structure of Di-π-allyl(dihydropentalenylene)dinickel

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概要

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• The crystal structure of di-π-allyl(dihydropentalenylene)dinickel, (C<SUB>8</SUB>H<SUB>6</SUB>)Ni<SUB>2</SUB>(C<SUB>3</SUB>H<SUB>5</SUB>)<SUB>2</SUB>, has been determined from three-dimensional single-crystal X-ray photographic data. The crystal of this compound is composed of discrete molecular units in the monoclinic space group P2<SUB>1</SUB>/a, with two molecules per unit cell with dimensions of <I>a</I>=8.451±0.004, <I>b</I>=12.691±0.005, <I>c</I>=5.976±0.006 Å, and β=108.81±0.05°. The calculated and observed densities are 1.650 and 1.60 g·cm<SUP>−3</SUP> respectively. The structure was deduced from a sharpened Patterson synthesis and was refined by means of the least-squares method to the final R index of 0.121 for 1151 independent non-zero reflections. The molecule has a crystallographic center of symmetry; therefore, two nickel atoms which are complexed in a sandwich fashion between the dihydropentalenylene ring and the π-allyl group take a <I>trans</I> configuration. The distances of the nickel atom from the ring carbons range from 2.03 to 2.27 Å, the closest approach being to the three non-bridging atoms of the five-membered ring. The orientation of the π-allyl groups with respect to the nickel atom is similar to those found in other π-allyl complexes.

• 公益社団法人 日本化学会の論文

著者

• Kitano Yukishige

  Basic Reseach Laboratories, Toray Industries, Inc.

• Kashiwagi Michio

  Basic Reseach Laboratories, Toray Industries, Inc.

• Kinoshita Yukio

  Basic Reseach Laboratories, Toray Industries, Inc.

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