Information card for entry 4070892

Structure parameters

• Formula: C26 H31 F3 N O3 P Pd S
• Calculated formula: C26 H31 F3 N O3 P Pd S
• SMILES: [Pd]123([P](C4=C(C=[N]1C(C)(C)C)CCC4)(c1ccccc1)c1ccccc1)C[CH]2=[CH2]3.S(=O)(=O)([O-])C(F)(F)F
• 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: 11.2833 ± 0.0005 Å
• b: 8.8106 ± 0.0004 Å
• c: 26.981 ± 0.001 Å
• α: 90°
• β: 99.783 ± 0.001°
• γ: 90°
• Cell volume: 2643.25 ± 0.19 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No