Information card for entry 4119664

Structure parameters

• Formula: C60.5 H91 Co N3 O P3 Zr
• Calculated formula: C60.5 H91 Co N3 O P3 Zr
• Title of publication: Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene
• Authors of publication: Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6018 - 6021
• a: 43.887 ± 0.004 Å
• b: 13.0471 ± 0.0012 Å
• c: 20.6865 ± 0.0016 Å
• α: 90°
• β: 97.893 ± 0.005°
• γ: 90°
• Cell volume: 11732.8 ± 1.8 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No