Information card for entry 7241038

Structure parameters

• Formula: C18 H30 Au Cl2 P
• Calculated formula: C18 H30 Au Cl2 P
• SMILES: [Au]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1c(Cl)cccc1Cl
• 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: 8.6346 ± 0.0001 Å
• b: 11.4963 ± 0.0001 Å
• c: 11.874 ± 0.0002 Å
• α: 65.995 ± 0.001°
• β: 87.948 ± 0.001°
• γ: 71.81 ± 0.001°
• Cell volume: 1017.27 ± 0.03 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0552
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No