Information card for entry 4088690

Structure parameters

• Common name: jonlm36
• Chemical name: (dippe)Pd(Ph)(CNBEt3)
• Formula: C27 H52 B N P2 Pd
• Calculated formula: C27 H52 B N P2 Pd
• SMILES: [Pd]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C#[N][B](CC)(CC)CC)c1ccccc1
• Title of publication: C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand
• Authors of publication: Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2010
• a: 15.9698 ± 0.0013 Å
• b: 17.7847 ± 0.0015 Å
• c: 21.9529 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6235 ± 0.9 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No