Information card for entry 7014425

Structure parameters

• Formula: C44 H48 Cl N2 O4 P Pd
• Calculated formula: C44 H48 Cl N2 O4 P Pd
• Title of publication: Synthesis, characterization, dynamics and reactivity toward amination of η3-allyl palladium complexes bearing mixed ancillary ligands. Evaluation of the electronic characteristics of the ligands from kinetic data.
• Authors of publication: Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Dolmella, Alessandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 966 - 981
• a: 10.527 ± 0.0002 Å
• b: 19.8437 ± 0.0004 Å
• c: 19.0977 ± 0.0004 Å
• α: 90°
• β: 89.893 ± 0.002°
• γ: 90°
• Cell volume: 3989.4 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No