Information card for entry 4115663

Structure parameters

• Formula: C43 H62 Cl2 O P2 Pd
• Calculated formula: C43 H62 Cl2 O P2 Pd
• Title of publication: Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study
• Authors of publication: David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8317 - 8328
• a: 13.479 ± 0.0007 Å
• b: 19.785 ± 0.001 Å
• c: 15.6967 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4186 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.067
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No