Information card for entry 4347305

Structure parameters

• Formula: C36 H46 Cl2 P2 Pd
• Calculated formula: C36 H46 Cl2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](c1ccccc1c1ccccc1)(C(C)C)C(C)C)[P](c1ccccc1c1ccccc1)(C(C)C)C(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: 11.0565 ± 0.0018 Å
• b: 12.827 ± 0.002 Å
• c: 13.891 ± 0.002 Å
• α: 71.824 ± 0.003°
• β: 73.3 ± 0.003°
• γ: 70.806 ± 0.003°
• Cell volume: 1729.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No