Information card for entry 7132129

Structure parameters

• Formula: C43 H59 N3 Pd
• Calculated formula: C43 H59 N3 Pd
• Title of publication: Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate
• Authors of publication: Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.941 ± 0.0005 Å
• b: 13.2345 ± 0.0006 Å
• c: 14.5821 ± 0.0007 Å
• α: 79.083 ± 0.001°
• β: 86.088 ± 0.002°
• γ: 85.104 ± 0.002°
• Cell volume: 1874.23 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No