Information card for entry 4086333

Structure parameters

• Formula: C41 H59 B2 F8 N3 O P2 Pd
• Calculated formula: C41 H59 B2 F8 N3 O P2 Pd
• 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: 12.3085 ± 0.0005 Å
• b: 17.2927 ± 0.0007 Å
• c: 21.7237 ± 0.0009 Å
• α: 82.133 ± 0.002°
• β: 86.587 ± 0.002°
• γ: 86.032 ± 0.002°
• Cell volume: 4563.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No