Information card for entry 4075685

Structure parameters

• Formula: C26 H24 Br O P Pd
• Calculated formula: C26 H24 Br O P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Br)Cc2ccccc2C[OH]1
• Title of publication: Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation
• Authors of publication: Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1119
• a: 7.626 ± 0.0016 Å
• b: 28.235 ± 0.004 Å
• c: 10.4316 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.1 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No