Information card for entry 4086326

Structure parameters

• Formula: C38 H56 Br Co O P2
• Calculated formula: C38 H56 Br Co O P2
• Title of publication: Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism
• Authors of publication: Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2015
• a: 18.7532 ± 0.0009 Å
• b: 12.5873 ± 0.0006 Å
• c: 15.6898 ± 0.0007 Å
• α: 90°
• β: 96.33 ± 0.003°
• γ: 90°
• Cell volume: 3681 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No