Information card for entry 4115661

Structure parameters

• Formula: C41 H75 B F4 N2 P2 Pt
• Calculated formula: C41 H75 B F4 N2 P2 Pt
• SMILES: [PtH](=C1N(C)C=CN1C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• 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: 12.245 ± 0.003 Å
• b: 16.533 ± 0.004 Å
• c: 21.36 ± 0.004 Å
• α: 90°
• β: 96.348 ± 0.005°
• γ: 90°
• Cell volume: 4297.7 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No