Information card for entry 4065383

Structure parameters

• Common name: 9-1536 [Pd(eta3-CHPhCHCHPh)(PN-iPr)]SbF6 (9)
• Formula: C26 H32 F6 N2 P Pd Sb
• Calculated formula: C26 H32 F6 N2 P Pd Sb
• SMILES: [Pd]123([P](Nc4[n]1cccc4)(C(C)C)C(C)C)[CH](=[CH]2C3c1ccccc1)c1ccccc1.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes
• Authors of publication: Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5928
• a: 11.3272 ± 0.0004 Å
• b: 11.4366 ± 0.0004 Å
• c: 12.2868 ± 0.0004 Å
• α: 77.645 ± 0.002°
• β: 64.835 ± 0.002°
• γ: 84.576 ± 0.002°
• Cell volume: 1407.24 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No