Information card for entry 4065386

Structure parameters

• Common name: 15a-1509 [Pd(eta3-CH2CMeCH2)(SN-Ph)]SbF6 (15a)
• Formula: C21 H22 F6 N2 P Pd S Sb
• Calculated formula: C21 H22 F6 N2 P Pd S Sb
• SMILES: [Pd]123([S]=P(Nc4[n]1cccc4)(c1ccccc1)c1ccccc1)[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: 9.8095 ± 0.0005 Å
• b: 10.8865 ± 0.0005 Å
• c: 13.1649 ± 0.0006 Å
• α: 67.873 ± 0.002°
• β: 70.59 ± 0.002°
• γ: 88.22 ± 0.002°
• Cell volume: 1221.19 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No