Information card for entry 4075652

Structure parameters

• Formula: C40 H35 F3 O7 P2 Pd S2
• Calculated formula: C40 H35 F3 O7 P2 Pd S2
• Title of publication: Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines
• Authors of publication: Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1204
• a: 9.849 ± 0.001 Å
• b: 11.222 ± 0.001 Å
• c: 19.069 ± 0.001 Å
• α: 92.47 ± 0.001°
• β: 101.44 ± 0.001°
• γ: 109.46 ± 0.001°
• Cell volume: 1934.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No