Information card for entry 4115664

Structure parameters

• Formula: C43 H79 B Cl4 F4 N2 P2 Pt
• Calculated formula: C43 H79 B Cl4 F4 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: 11.5338 ± 0.0007 Å
• b: 15.0977 ± 0.0009 Å
• c: 15.1892 ± 0.0009 Å
• α: 85.795 ± 0.002°
• β: 75.59 ± 0.002°
• γ: 75.522 ± 0.002°
• Cell volume: 2480.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.086
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 0.949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No