The Crystal and Molecular Structure of π-Cyclooctenyl-π-cycloocta-1,5-dienecobalt, Co(C<SUB>8</SUB>H<SUB>13</SUB>) (C<SUB>8</SUB>H<SUB>12</SUB>)

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概要

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• The crystal structure of π-cyclooctenyl-π-cycloocta-1,5-dienecobalt, Co(C<SUB>8</SUB>H<SUB>13</SUB>)(C<SUB>8</SUB>H<SUB>12</SUB>), has been established by successive Fourier analyses. The atomic parameters were refined by least-squares techniques using three-dimensional X-ray data to an <I>R</I> factor of 0.125. The complex molecule crystallizes in the space group <I>P</I>2<SUB>1</SUB>⁄<I>c</I> with four molecules in the unit cell of dimensions: <I>a</I>=10.78, <I>b</I>=7.30, <I>c</I>=17.81 Å, β=104.2°. The four cobalt atoms lie nearly on the face-centered positions in the unit cell and are sandwiched between the two ligands, cyclooctenyl C<SUB>8</SUB>H<SUB>13</SUB> and cyclooctadiene C<SUB>8</SUB>H<SUB>12</SUB>. The seven nearest Co···C distances range from 2.02 Å to 2.09 Å. Atoms Co, C(1), C(3) and the respective centers of the two double bonds, C(9)–C(16) and C(12)–C(13), in C<SUB>8</SUB>H<SUB>12</SUB> ring are coplanar to within 0.08 Å. The conformation of C<SUB>8</SUB>H<SUB>13</SUB> is of the tub form and C<SUB>8</SUB>H<SUB>12</SUB> of the boat form. The two lengths of the double bonds in C<SUB>8</SUB>H<SUB>12</SUB> are 1.41 Å and 1.39 Å, while those in the allyl part in C<SUB>8</SUB>H<SUB>13</SUB> are 1.35 Å and 1.46 Å, respectively. The average distance of the remaining twelve C–C bonds is 1.54 Å.

• 公益社団法人 日本化学会の論文

著者

• Takenaka Akio

  Faculty of Science, Kwansei Gakuin University

関連論文

• The Crystal and Molecular Structure of π-Cyclooctenyl-π-cycloocta-1,5-dienecobalt, Co(C8H13) (C8H12)

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