Information card for entry 7201673

Structure parameters

• Chemical name: bis(3-acetyl-2,4-pentandionato-O2,O3)palladium(II)
• Formula: C14 H18 O6 Pd
• Calculated formula: C14 H18 O6 Pd
• SMILES: [Pd]12(OC(=C(C(=[O]1)C)C(=O)C)C)OC(=C(C(=[O]2)C)C(=O)C)C
• Title of publication: Novel linear acetylpentanedionato complexes for metal‒organic framework construction
• Authors of publication: Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 327
• a: 13.39752 ± 0.00015 Å
• b: 13.43165 ± 0.00008 Å
• c: 8.49767 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.16 ± 0.02 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 3.8205
• Method of determination: powder diffraction
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No