Information card for entry 4070371

Structure parameters

• Formula: C11 H14 B Co F4
• Calculated formula: C11 H14 B Co F4
• SMILES: [Co]12345678([CH](=[CH]1[CH]2=[CH]3C4)C)[cH]1[cH]5[cH]6[cH]7[cH]81.[B](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: 11.571 ± 0.002 Å
• b: 10.4698 ± 0.0019 Å
• c: 9.7525 ± 0.0018 Å
• α: 90°
• β: 94.159 ± 0.003°
• γ: 90°
• Cell volume: 1178.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No