Information card for entry 4087699

Structure parameters

• Formula: C24 H46 F6 O4 P2 Pd Si
• Calculated formula: C24 H46 F6 O4 P2 Pd Si
• SMILES: [Pd]1([P](C(C)(C)C)(C[Si](C[P]1(C(C)(C)C)C(C)(C)C)(C)C)C(C)(C)C)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.
• Authors of publication: Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4281
• a: 17.232 ± 0.003 Å
• b: 11.631 ± 0.002 Å
• c: 16.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233.9 ± 1 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No