Information card for entry 4068663

Structure parameters

• Formula: C24 H29 Cl O3 P2 Pd
• Calculated formula: C24 H29 Cl O3 P2 Pd
• SMILES: [Pd]1(Cl)([P](C(P(=[O]1)(OCC)OCC)c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: Palladium Alkyl Complexes Containing β-Phosphonato−Phosphine P,O Ligands and Their Reactivity toward CO-Ethylene or -Acrylate Insertion
• Authors of publication: Hamada, Adel; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1688
• a: 32.473 ± 0.005 Å
• b: 17.736 ± 0.003 Å
• c: 8.873 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5110.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No