Information card for entry 4086107

Structure parameters

• Formula: C58 H61 Cl6 F6 N4 O4 P3 Pd
• Calculated formula: C58 H61 Cl6 F6 N4 O4 P3 Pd
• Title of publication: Metal Complexes Containing Enantiopure Bis(diamidophosphite) Ligands in Asymmetric Allylic Substitution and Hydroformylation Reactions
• Authors of publication: Bravo, Maritza J.; Ceder, Rosa M.; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Bayón, J. Carles; Peral, Daniel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3799
• a: 11.4594 ± 0.0019 Å
• b: 19.728 ± 0.003 Å
• c: 14.237 ± 0.002 Å
• α: 90°
• β: 101.343 ± 0.011°
• γ: 90°
• Cell volume: 3155.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No