Information card for entry 4071712

Structure parameters

• Formula: C13 H15 Cl N2 O Pd
• Calculated formula: C13 H15 Cl N2 O Pd
• SMILES: [Pd](Cl)(CC(=O)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: New Acetonyl Palladium(II) Complexes
• Authors of publication: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3978
• a: 8.2358 ± 0.0006 Å
• b: 8.817 ± 0.002 Å
• c: 10.974 ± 0.002 Å
• α: 73.534 ± 0.005°
• β: 87.561 ± 0.005°
• γ: 63.968 ± 0.005°
• Cell volume: 683.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No