Information card for entry 2103799

Structure parameters

• Chemical name: (eta$3!-Allyl)-(N,N'-dimethyl-2-(diphenylphosphanyl)aniline-N,P)-palladium(ii) hexafluorophosphate
• Formula: C23 H25 F6 N P2 Pd
• Calculated formula: C23 H25 F6 N P2 Pd
• SMILES: [Pd]123([P](c4ccccc4[N]1(C)C)(c1ccccc1)c1ccccc1)[CH2]=[CH]2C3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 15.197 ± 0.006 Å
• b: 9.042 ± 0.003 Å
• c: 18.559 ± 0.009 Å
• α: 90°
• β: 108.02 ± 0.04°
• γ: 90°
• Cell volume: 2425.1 ± 1.8 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: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.009
• Residual factor for significantly intense reflections: 0.0086
• Weighted residual factors for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No