Information card for entry 4075653

Structure parameters

• Formula: C116 H108 F12 O12 P8 Pd4 S8
• Calculated formula: C116 H108 F12 O12 P8 Pd4 S8
• 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: 15.57 ± 0.001 Å
• b: 9.219 ± 0.001 Å
• c: 20.365 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2923.2 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No