Cobaltaborane Analogues of B₁₀H₁₄. Crystal and Molecular Structures of 6-[η⁵-C₅(CH₃)₅]CoB₉H₁₃, See Abstract

Alternative Title

Crystal and molecular structures of 6-[η⁵-C₅(CH₃)₅]CoB₉H₁₃

Abstract

Crystal and molecular structures have been determined for the title compounds, which were obtained from the reaction in THF of Li+C5(CH3)5 -, CoCl2, and Na+B9H14 - (generated during the deprotonation of B5H9 with NaH) followed by workup in air, as described in the preceding paper. All four compounds exhibit 10-vertex nido cage structures analogous to B10H14 with one or two BH units replaced by Co[η5-C5(CH3)5], and the observed solid-state geometries are compatible with 11B and 1H FT NMR spectra in solution. In each case the four bridging hydrogens, present as B-H-B and Co-H-B groups, occupy locations equivalent to those in B10H14 itself; the Co-H-B bridges are unsymmetrical, with the hydrogen closer to boron than cobalt. The dicobalt complexes are the first structurally characterized metallaborane analogues of B10H14 having more than one metal atom in the cage. The molecular parameters are compared with those of the previously reported compounds 5-(η5-C5H5)CoB9H13, 5-THF-6-(CO)3MnB9H12, and B10H14. Crystal data: 6-[C5(CH3)5]CoB9H13, mol wt 305, space group P212121, Z = 4, a = 10.535 (3) Å, b = 12.830 (3) Å, c = 13.037 (3) Å, V = 1762 Å3, R = 0.028 for 1427 reflections having Fo 2 > 3σ(Fo 2); 6,9-[C5(CH3)5]2Co2B 8H12, mol wt 487, space group P21/n, Z = 4, a = 8.543 (2) Å, b = 14.636 (8) Å, c = 20.88 (2) Å, β = 90.38 (4)°, V = 2611 Å3, R = 0.059 for 1418 reflections having Fo 2 > 3σ(Fo 2); 5,7-[C5(CH3)5]2Co2B 8H12, mol wt 487, space group P21/n, Z = 4, a = 9.236 (4) Å, b = 20.229 (9) Å, c = 13.681 (6) Å, β = 98.05 (4)°, V = 2531 Å3, R = 0.076 for 2501 reflections having Fo 2 > 3σ(Fo 2); 6-Cl-5,7-[C5(CH3)5]2Co 2B8H11, mol wt 521, space group P1, Z = 2, a = 9.842 (8) Å, b = 11.693 (6) Å, c = 12.154 (8) Å, α = 68.93 (6)°, β = 84.95 (4)°, γ = 86.85 (4)°, V = 1300 Å3, R = 0.063 for 3870 reflections having Fo 2 > 3σ(Fo 2). © 1982 American Chemical Society.

Department(s)

Chemistry

International Standard Serial Number (ISSN)

0020-1669

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 1982 American Chemical Society (ACS), All rights reserved.

Publication Date

01 Jan 1982

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