Information card for entry 4070891

Structure parameters

• Formula: C25 H31 Cl N P Pd
• Calculated formula: C25 H31 Cl N P Pd
• SMILES: [Pd]12([P](c3ccccc3)(C3=C(/C=N/C(C)(C)C)CCC3)c3ccccc3)(Cl)C[CH]2=[CH2]1
• Title of publication: Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines
• Authors of publication: Shaffer, Andrew R.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1259
• a: 9.9685 ± 0.0006 Å
• b: 13.7786 ± 0.0009 Å
• c: 17.6498 ± 0.0011 Å
• α: 90°
• β: 97.424 ± 0.001°
• γ: 90°
• Cell volume: 2403.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No