Information card for entry 4063605

Structure parameters

• Formula: C25 H37 Cl N P Pd
• Calculated formula: C25 H37 Cl N P Pd
• SMILES: [Pd]12(Cl)([P](c3ccc(cc3)N(C)C)(C(C)(C)C)C(C)(C)C)[CH2]=[CH]1C2c1ccccc1
• Title of publication: Highly Active Well-Defined Palladium Precatalysts for the Efficient Amination of Aryl Chlorides
• Authors of publication: Chartoire, Anthony; Lesieur, Mathieu; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cazin, Catherine S. J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4432
• a: 13.435 ± 0.003 Å
• b: 12.956 ± 0.003 Å
• c: 15.527 ± 0.004 Å
• α: 90°
• β: 111.52 ± 0.006°
• γ: 90°
• Cell volume: 2514.3 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No