Information card for entry 4065390

Structure parameters

• Common name: 19-1522 [Pd(eta3-CH2CHCH2)(SN^dep^-iPr)] (19)
• Formula: C14 H23 N2 P Pd S
• Calculated formula: C13.997 H23 N2 P Pd S
• SMILES: [Pd]123(SP(=Nc4[n]1cccc4)(C(C)C)C(C)C)[CH2]=[CH]2C3
• 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: 7.8703 ± 0.0001 Å
• b: 8.5833 ± 0.0001 Å
• c: 12.7495 ± 0.0002 Å
• α: 80.498 ± 0.001°
• β: 86.64 ± 0.001°
• γ: 71.946 ± 0.001°
• Cell volume: 807.6 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No