Information card for entry 4517215

Structure parameters

• Formula: C36 H44 Cl4 P2 Pd
• Calculated formula: C36 H44 Cl4 P2 Pd
• 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: 21.8565 ± 0.0006 Å
• b: 14.7082 ± 0.0004 Å
• c: 22.7524 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7314.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No