Information card for entry 2201930

Structure parameters

• Chemical name: (η^3^-allyl)[(S)-(+)-(2-pyrrolidinylmethyl)pyrrolidine]palladium(II) trifluomethanesulfonate
• Formula: C13 H23 F3 N2 O3 Pd S
• Calculated formula: C13 H23 F3 N2 O3 Pd S
• SMILES: [Pd]123([NH]4CCC[C@H]4C[N]14CCCC4)C[CH]2=[CH2]3.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: (η^3^-Allyl)[(<i>S</i>)-(+)-(2-pyrrolidinylmethyl)pyrrolidine]palladium(II) trifluoromethanesulfonate
• Authors of publication: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m105 - m107
• a: 9.1222 ± 0.0002 Å
• b: 9.1647 ± 0.0002 Å
• c: 20.6053 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1722.65 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes