Information card for entry 4517216

Structure parameters

• Formula: C33 H38 Cl2 P2 Pd
• Calculated formula: C33 H38 Cl2 P2 Pd
• SMILES: [Pd]1([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation
• Authors of publication: Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 663
• a: 11.2984 ± 0.0005 Å
• b: 20.6157 ± 0.0008 Å
• c: 14.14 ± 0.0006 Å
• α: 90°
• β: 110.081 ± 0.005°
• γ: 90°
• Cell volume: 3093.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No