Information card for entry 4108679

Structure parameters

• Formula: C46 H42 O P2 Pt
• Calculated formula: C46 H42 O P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C(C(=O)c1ccccc1)C
• Title of publication: Mechanistic Study of β-Hydrogen Elimination from Organoplatinum(II) Enolate Complexes
• Authors of publication: Erik J. Alexanian; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15627 - 15635
• a: 12.6235 ± 0.0003 Å
• b: 12.6966 ± 0.0004 Å
• c: 12.712 ± 0.0003 Å
• α: 80.922 ± 0.002°
• β: 86.846 ± 0.002°
• γ: 69.299 ± 0.001°
• Cell volume: 1882.01 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No