Information card for entry 7247243

Structure parameters

• Formula: C20 H17 Au Cl O2 P
• Calculated formula: C20 H17 Au Cl O2 P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)OC
• Title of publication: Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations
• Authors of publication: Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 25425 - 25436
• a: 11.7021 ± 0.0005 Å
• b: 11.0081 ± 0.0005 Å
• c: 15.3756 ± 0.0007 Å
• α: 90°
• β: 104.695 ± 0.002°
• γ: 90°
• Cell volume: 1915.86 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No