Information card for entry 4115662

Structure parameters

• Formula: C45 H46 B Cl4 F4 I N2 P2 Pt
• Calculated formula: C45 H46 B Cl4 F4 I N2 P2 Pt
• 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: 18.989 ± 0.001 Å
• b: 15.97 ± 0.001 Å
• c: 15.586 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4726.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.419
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No