Information card for entry 4517604

Structure parameters

• Formula: C26 H39 Au Cl P
• Calculated formula: C26 H39 Au Cl P
• SMILES: [Au](Cl)[P](c1ccccc1c1ccccc1)(C(CC)(CC)CC)C(CC)(CC)CC
• Title of publication: Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates
• Authors of publication: Barber, Thomas; Argent, Stephen P.; Ball, Liam T.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 5454 - 5461
• a: 10.0412 ± 0.0004 Å
• b: 15.8623 ± 0.0006 Å
• c: 15.2487 ± 0.0005 Å
• α: 90°
• β: 91.963 ± 0.004°
• γ: 90°
• Cell volume: 2427.33 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No