Information card for entry 1547632

Structure parameters

• Formula: C24 H54 Br2 P2 Pd2
• Calculated formula: C24 H54 Br2 P2 Pd2
• SMILES: [Pd]12([Pd]([Br]1)([Br]2)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes
• Authors of publication: Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.094 ± 0.004 Å
• b: 14.447 ± 0.005 Å
• c: 16.046 ± 0.005 Å
• α: 90°
• β: 92.715 ± 0.007°
• γ: 90°
• Cell volume: 3032 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No