Information card for entry 4072406

Structure parameters

• Chemical name: bis(2-di-iso-propylphosphinophenyl)phosphidepalladiumchloride
• Formula: C24 H36 Cl P3 Pd
• Calculated formula: C24 H36 Cl P3 Pd
• SMILES: [Pd]12(Cl)[P](c3ccccc3[P]2(C(C)C)C(C)C)c2ccccc2[P]1(C(C)C)C(C)C
• Title of publication: Phosphido Pincer Complexes of Palladium as New Efficient Catalysts for Allylation of Aldehydes
• Authors of publication: Mazzeo, Mina; Lamberti, Marina; Massa, Antonio; Scettri, Arrigo; Pellecchia, Claudio; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5741
• a: 14.31 ± 0.004 Å
• b: 11.988 ± 0.005 Å
• c: 15.352 ± 0.007 Å
• α: 90°
• β: 102.12 ± 0.03°
• γ: 90°
• Cell volume: 2574.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No