Information card for entry 4070367

Structure parameters

• Formula: C18 H28 Co F6 P
• Calculated formula: C18 H28 Co F6 P
• SMILES: [Co]12345678([CH](=[C]1([CH]2=[C]3(C4)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt
• Authors of publication: Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6807
• a: 8.5972 ± 0.001 Å
• b: 15.718 ± 0.0017 Å
• c: 14.4524 ± 0.0016 Å
• α: 90°
• β: 93.353 ± 0.002°
• γ: 90°
• Cell volume: 1949.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No