Information card for entry 4128931

Structure parameters

• Formula: C20 H31 Co
• Calculated formula: C20 H31 Co
• Title of publication: Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.
• Authors of publication: Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4721 - 4729
• a: 8.07 ± 0.0006 Å
• b: 8.4605 ± 0.0006 Å
• c: 12.8684 ± 0.001 Å
• α: 90°
• β: 93.611 ± 0.002°
• γ: 90°
• Cell volume: 876.86 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 3
• 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: 0.08
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No