Information card for entry 7241039

Structure parameters

• Formula: C17 H29 Au Cl F N P
• Calculated formula: C17 H29 Au Cl F N P
• SMILES: [Au]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1c(F)cncc1Cl
• Title of publication: Mechanochemical synthesis of (hetero)aryl Au(i) complexes
• Authors of publication: Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 5648 - 5655
• a: 8.6986 ± 0.001 Å
• b: 18.586 ± 0.002 Å
• c: 12.1084 ± 0.0013 Å
• α: 90°
• β: 90.975 ± 0.002°
• γ: 90°
• Cell volume: 1957.3 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No