Information card for entry 4073297

Structure parameters

• Chemical name: trifluoromethanesulphonate-(η^3^-allyl)-palladium(ii)
• Formula: C4 H5 F3 O3 Pd S
• Calculated formula: C4 H5 F3 O3 Pd S
• Title of publication: Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands
• Authors of publication: Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3236
• a: 12.3337 ± 0.0001 Å
• b: 12.3337 ± 0.0001 Å
• c: 12.3337 ± 0.0001 Å
• α: 112.92 ± 0.02°
• β: 112.92 ± 0.02°
• γ: 112.92 ± 0.02°
• Cell volume: 1225.8 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No