Information card for entry 4065381

Structure parameters

• Common name: 7b-1510 [Pd(eta3-CH2CMeCH2)(PN-iPr)]SbF6 (7b)
• Formula: C15 H26 F6 N2 P Pd Sb
• Calculated formula: C15 H26 F6 N2 P Pd Sb
• SMILES: [Pd]123([P](Nc4[n]1cccc4)(C(C)C)C(C)C)[CH2]=[C]2(C3)C.[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: 8.9797 ± 0.0003 Å
• b: 16.9905 ± 0.0007 Å
• c: 13.9851 ± 0.0006 Å
• α: 90°
• β: 104.568 ± 0.002°
• γ: 90°
• Cell volume: 2065.1 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No