Information card for entry 4130364

Structure parameters

• Formula: C43 H56 Co O2
• Calculated formula: C43 H56 Co O2
• SMILES: [Co](OC(C(C)(C)C)(C(C)(C)C)c1ccccc1)(OC(C(C)(C)C)(c1ccccc1)C(C)(C)C)=C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of a Stable High-Valent Cobalt Carbene Complex.
• Authors of publication: Bellow, James A.; Stoian, Sebastian A.; van Tol, Johan; Ozarowski, Andrew; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 17
• Pages of publication: 5531 - 5534
• a: 8.5434 ± 0.0004 Å
• b: 11.3181 ± 0.0005 Å
• c: 19.657 ± 0.001 Å
• α: 106.087 ± 0.002°
• β: 96.817 ± 0.002°
• γ: 97.583 ± 0.002°
• Cell volume: 1786.12 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No