Information card for entry 7013966

Structure parameters

• Formula: C15 H23 F5 N2 O3 Pd S
• Calculated formula: C15 H23 F5 N2 O3 Pd S
• SMILES: [Pd]1(S(=O)(=O)OCCC)([N](CC[N]1(C)C)(C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Insertion reactions of SO2 into Pd-OR bonds: preparation of alkyl sulfito complexes of palladium(II).
• Authors of publication: Ruiz, José; Martínez, M Teresa; Florenciano, Félix; Rodríguez, Venancio; López, Gregorio; Pérez, José; Chaloner, Penny A.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 929 - 932
• a: 8.141 ± 0.002 Å
• b: 8.625 ± 0.001 Å
• c: 15.837 ± 0.002 Å
• α: 96.83 ± 0.01°
• β: 98.26 ± 0.02°
• γ: 112.93 ± 0.01°
• Cell volume: 994.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No