Information card for entry 4087103

Structure parameters

• Common name: [(CNArDipp2)Pd]2(u-allyl)(u-OtBu)
• Formula: C75 H93 F N2 O Pd2
• Calculated formula: C75 H93 F N2 O Pd2
• Title of publication: Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates
• Authors of publication: Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 944
• a: 9.3164 ± 0.001 Å
• b: 12.2291 ± 0.0013 Å
• c: 16.0753 ± 0.0017 Å
• α: 107.346 ± 0.003°
• β: 92.444 ± 0.003°
• γ: 105.882 ± 0.003°
• Cell volume: 1666 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No