Information card for entry 4066976

Structure parameters

• Formula: C6 H14 Cl P Pd
• Calculated formula: C6 H14 Cl P Pd
• SMILES: [Pd]12(Cl)([P](C)(C)C)C[CH]1=[CH2]2
• Title of publication: The Reaction of Carbon Dioxide with Palladium Allyl Bonds.
• Authors of publication: Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Hruszkewycz, Damian P.; Incarvito, Christopher D.; Schmeier, Timothy J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6369 - 6376
• a: 11.698 ± 0.0019 Å
• b: 10.4588 ± 0.0017 Å
• c: 16.084 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1967.8 ± 0.6 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No