Information card for entry 4070283

Structure parameters

• Common name: [Pd(eta3-1,3-Diphenylallyl)(py-2-CH=NMes)][PF6]
• Formula: C64 H68 F12 N4 O P2 Pd2
• Calculated formula: C64 H68 F12.084 N4 O P2 Pd2
• Title of publication: Ion Pairing and Allyl Dynamics in a Series of [Pd(η3-allyl)(N,N-chelate)](anion) Salts. On the Influence of the BPh4−Anion
• Authors of publication: Moreno, Aitor; Pregosin, Paul S.; Fuentes, Beatriz; Veiros, Luis F.; Albinati, Alberto; Rizzato, Silvia
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6489
• a: 10.5449 ± 0.0009 Å
• b: 15.8483 ± 0.0014 Å
• c: 19.6112 ± 0.0017 Å
• α: 79.266 ± 0.001°
• β: 85.419 ± 0.001°
• γ: 81.359 ± 0.001°
• Cell volume: 3179 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No