Information card for entry 7113517

Structure parameters

• Formula: C25 H44 O P2 Pd
• Calculated formula: C25 H44 O P2 Pd
• SMILES: [Pd]1([P](Cc2c(cccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Synthesis, X-ray characterisation and reactions of a trigonal planar palladium(0) carbonyl complex, (tbpx)PdCO
• Authors of publication: Bellabarba, Ronan M.; Tooze, Robert P.; Slawin, Alexandra M. Z.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1916 - 1917
• a: 11.837 ± 0.003 Å
• b: 16.063 ± 0.004 Å
• c: 14.731 ± 0.003 Å
• α: 90°
• β: 93.358 ± 0.007°
• γ: 90°
• Cell volume: 2796.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103827
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No