Information card for entry 7027163

Structure parameters

• Formula: C12 H11 Au Cl O P
• Calculated formula: C12 H11 Au Cl O P
• SMILES: [Au](Cl)[P](O)(c1ccccc1)c1ccccc1
• Title of publication: Self-assembly of triatomic gold units as supporting frames for a large gold diphenylphosphinite cage molecule†
• Authors of publication: Hollatz, Christian; Schier, Annette; Riede, Jürgen; Schmidbaur, Hubert
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 111
• a: 10.357 ± 0.002 Å
• b: 10.806 ± 0.002 Å
• c: 11.689 ± 0.002 Å
• α: 101.18 ± 0.01°
• β: 98.49 ± 0.02°
• γ: 98 ± 0.02°
• Cell volume: 1250.2 ± 0.4 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No