Information card for entry 2105310

Structure parameters

• Chemical name: (acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate
• Formula: C13 H19 B F4 O2 Pd
• Calculated formula: C13 H19 B F4 O2 Pd
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Pd]1234[O]=C(C=C(C)O1)C.[B](F)(F)(F)[F-]
• Title of publication: Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
• Authors of publication: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 36 - 42
• a: 26.2908 ± 0.0011 Å
• b: 7.1684 ± 0.0003 Å
• c: 7.7782 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1465.9 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes