Information card for entry 4086332

Structure parameters

• Formula: C35 H50 O P2 Pd0.69
• Calculated formula: C35 H50 O P2 Pd0.6881
• 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: 11.2133 ± 0.0004 Å
• b: 15.38 ± 0.0006 Å
• c: 19.1855 ± 0.0008 Å
• α: 90°
• β: 92.738 ± 0.002°
• γ: 90°
• Cell volume: 3305 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No