Information card for entry 4069017

Structure parameters

• Formula: C45 H36 Cl2 F6 N O2 P3 Pd
• Calculated formula: C45 H36 Cl2 F6 N O2 P3 Pd
• Title of publication: INDOLPhosphole and INDOLPhos Palladium−Allyl Complexes in Asymmetric Allylic Alkylations
• Authors of publication: Wassenaar, Jeroen; van Zutphen, Steven; Mora, Guilhem; Le Floch, Pascal; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2724
• a: 9.6088 ± 0.0002 Å
• b: 41.1341 ± 0.0006 Å
• c: 10.4629 ± 0.0002 Å
• α: 90°
• β: 91.581 ± 0.001°
• γ: 90°
• Cell volume: 4133.88 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No