Information card for entry 4065387

Structure parameters

• Common name: 15b-1508 [Pd(eta3-CH2CMeCH2)(SN-iPr)]SbF6 (15b)
• Formula: C15 H26 F6 N2 P Pd S Sb
• Calculated formula: C15 H26 F6 N2 P Pd S Sb
• SMILES: [Pd]123([S]=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: 13.848 ± 0.0005 Å
• b: 10.5607 ± 0.0004 Å
• c: 14.5642 ± 0.0006 Å
• α: 90°
• β: 94.468 ± 0.002°
• γ: 90°
• Cell volume: 2123.46 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No