Information card for entry 7132127

Structure parameters

• Formula: C59 H74 N2 Pd
• Calculated formula: C59 H74 N2 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: 17.2411 ± 0.0012 Å
• b: 18.2386 ± 0.0011 Å
• c: 32.1839 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10120.3 ± 1.1 ų
• Cell temperature: 152.65 K
• Ambient diffraction temperature: 152.65 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2131
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No