Information card for entry 4084911

Structure parameters

• Formula: C22 H50 I2 P2 Pd2
• Calculated formula: C22 H50 I2 P2 Pd2
• SMILES: [I]1[Pd]2([I][Pd]12[P](C(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Combining the Reactivity Properties of PCy3and PtBu3into a Single Ligand, P(iPr)(tBu)2. Reaction via Mono- or Bisphosphine Palladium(0) Centers and Palladium(I) Dimer Formation
• Authors of publication: Proutiere, Fabien; Lyngvi, Eirik; Aufiero, Marialuisa; Sanhueza, Italo A.; Schoenebeck, Franziska
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6879
• a: 10.4969 ± 0.001 Å
• b: 11.1685 ± 0.0011 Å
• c: 12.5738 ± 0.0012 Å
• α: 84.769 ± 0.001°
• β: 86.613 ± 0.002°
• γ: 87.77 ± 0.002°
• Cell volume: 1464.5 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No