Information card for entry 4347309

Structure parameters

• Formula: C28 H30 Cl2 P2 Pd
• Calculated formula: C28 H30 Cl2 P2 Pd
• SMILES: c1(c(cccc1)c1ccccc1)[P]([Pd](Cl)([P](C)(C)c1ccccc1c1ccccc1)Cl)(C)C
• Title of publication: Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.
• Authors of publication: Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3079 - 3090
• a: 11.6418 ± 0.0013 Å
• b: 7.1671 ± 0.0008 Å
• c: 16.423 ± 0.0017 Å
• α: 90°
• β: 92.638 ± 0.005°
• γ: 90°
• Cell volume: 1368.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No