Information card for entry 4067312

Structure parameters

• Formula: C26 H42.5 F6 N4 O2.75 P Pd2
• Calculated formula: C26 H42.5 F6 N4 O2.75 P Pd2
• Title of publication: Dinuclear Allylpalladium Complexes ofC2-Symmetric Pyrazolate-Bridged Bis(oxazoline) Ligands (pyrbox's): Structures, Dynamic Behavior, and Application in Asymmetric Allylic Alkylation
• Authors of publication: Ficks, Arne; Sibbald, Connor; John, Michael; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1117
• a: 28.2448 ± 0.001 Å
• b: 8.7037 ± 0.0004 Å
• c: 13.8195 ± 0.0005 Å
• α: 90°
• β: 97.382 ± 0.003°
• γ: 90°
• Cell volume: 3369.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No