Information card for entry 4111121

Structure parameters

• Formula: C28 H34 Cl2 N P Pd
• Calculated formula: C28 H34 Cl2 N P Pd
• SMILES: [Pd]1(=C(N(C(C)C)C(C)C)C(c2ccccc2[P]1(c1ccccc1)c1ccccc1)(C)C)(Cl)Cl
• Title of publication: Cyclic C-Amino Phosphorus Ylides as a Source of Bidentate Heteroditopic Ligands (Phosphine/Aminocarbene) for Transition Metals
• Authors of publication: Joan Vignolle; Bruno Donnadieu; Didier Bourissou; Michèle Soleilhavoup; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14810 - 14811
• a: 9.6 ± 0.0003 Å
• b: 18.8209 ± 0.0005 Å
• c: 33.2053 ± 0.001 Å
• α: 90°
• β: 92.565 ± 0.001°
• γ: 90°
• Cell volume: 5993.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No