Information card for entry 4107447

Structure parameters

• Formula: C18 H26 Co F6 P
• Calculated formula: C18 H26 Co F6 P
• Title of publication: Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition. Synthesis and Characterization of Unbridged η2,η3-Coordinated Cycloheptadienyl Complexes
• Authors of publication: Ross D. Witherell; Kai E. O. Ylijoki; Jeffrey M. Stryker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2176 - 2177
• a: 12.3594 ± 0.0014 Å
• b: 8.5903 ± 0.001 Å
• c: 17.871 ± 0.002 Å
• α: 90°
• β: 91.863 ± 0.003°
• γ: 90°
• Cell volume: 1896.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No