Information card for entry 4067759

Structure parameters

• Formula: C47 H50 B Cl F4 N2 P2 Pd
• Calculated formula: C47 H50 B Cl F4.009 N2 P2 Pd
• Title of publication: Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands
• Authors of publication: Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1729
• a: 16.0636 ± 0.0008 Å
• b: 16.2605 ± 0.0008 Å
• c: 19.0326 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4971.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No