Information card for entry 4111312

Structure parameters

• Formula: C34 H64 O P2 Pd
• Calculated formula: C34 H64 O P2 Pd
• SMILES: [Pd]12([P](CCC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[CH2]=[C]12C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation
• Authors of publication: Elena Poverenov; Gregory Leitus; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16450 - 16451
• a: 9.338 ± 0.0019 Å
• b: 11.847 ± 0.002 Å
• c: 17.238 ± 0.003 Å
• α: 79.13 ± 0.03°
• β: 76 ± 0.03°
• γ: 73.19 ± 0.03°
• Cell volume: 1756.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No