Information card for entry 4319443

Structure parameters

• Formula: C29 H29 Cl N P Pd
• Calculated formula: C29 H29 Cl N P Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)CC(Nc3ccccc3)c3ccccc3)(Cl)[CH](=[CH2]1)C2
• Title of publication: Synthesis of β-P,N Aminophosphines and Coordination Chemistry to PdII. X-ray Structures of [PdCl2(Ph2PCH2CH(Ph)NHPh-κP,κN)] and [PdCl(η3-C3H5)(Ph2PCH2CH(Ph)NHPh-κP)]
• Authors of publication: Jacques Andrieu; Jean-Michel Camus; Jochen Dietz; Philippe Richard; Rinaldo Poli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1597 - 1605
• a: 10.912 ± 0.001 Å
• b: 17.194 ± 0.002 Å
• c: 14.169 ± 0.002 Å
• α: 90°
• β: 100.651 ± 0.009°
• γ: 90°
• Cell volume: 2612.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No