Information card for entry 2207229

Structure parameters

• Chemical name: bis(2,4-pentanedionato)palladium(II)
• Formula: C10 H14 O4 Pd
• Calculated formula: C10 H14 O4 Pd
• SMILES: C1=C(C)O[Pd]2([O]=C1C)OC(=CC(=[O]2)C)C
• Title of publication: Redetermination of bis(2,4-pentanedionato)palladium(II)
• Authors of publication: Hamid, Mazhar; Zeller, Matthias; Hunter, Allen D.; Mazhar, Muhammad; Tahir, Asif Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2181 - m2183
• a: 9.9119 ± 0.001 Å
• b: 5.2232 ± 0.0005 Å
• c: 10.3877 ± 0.001 Å
• α: 90°
• β: 95.807 ± 0.002°
• γ: 90°
• Cell volume: 535.03 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes