Information card for entry 2014115

Structure parameters

• Chemical name: Diacetato-κ^2^O-bis[(S)-1-(1-aminoethyl)-4-fluorophenyl-κN]palladium(II)
• Formula: C20 H26 F2 N2 O4 Pd
• Calculated formula: C20 H26 F2 N2 O4 Pd
• SMILES: [Pd](OC(=O)C)(OC(=O)C)([NH2][C@H](c1ccc(F)cc1)C)[NH2][C@H](c1ccc(F)cc1)C
• Title of publication: Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate
• Authors of publication: Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m320 - m323
• a: 10.589 ± 0.002 Å
• b: 17.537 ± 0.003 Å
• c: 11.686 ± 0.002 Å
• α: 90°
• β: 100.954 ± 0.003°
• γ: 90°
• Cell volume: 2130.5 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes