Information card for entry 2204983

Structure parameters

• Chemical name: rac-[2-(1-Aminoethyl)phenyl-κ^2^C^1^,N](hexafluoroacetylacetonato- κ^2^O,O')palladium(II)
• Formula: C13 H11 F6 N O2 Pd
• Calculated formula: C13 H11 F6 N O2 Pd
• SMILES: [Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[NH2]C(c1c2cccc1)C
• Title of publication: <i>rac</i>-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)
• Authors of publication: Calmuschi, Beatrice; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m168 - m170
• a: 23.283 ± 0.012 Å
• b: 8.824 ± 0.006 Å
• c: 15.562 ± 0.01 Å
• α: 90°
• β: 112.574 ± 0.0013°
• γ: 90°
• Cell volume: 2952 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes