Information card for entry 7017441

Structure parameters

• Formula: C18 H15 Au Br5 P S
• Calculated formula: C18 H15 Au Br5 P S
• SMILES: [Au](Br)(Br)(Br)[Br-].BrS[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.
• Authors of publication: Taouss, Christina; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11687 - 11689
• a: 13.734 ± 0.0004 Å
• b: 12.2533 ± 0.0002 Å
• c: 14.9748 ± 0.0004 Å
• α: 90°
• β: 114.913 ± 0.005°
• γ: 90°
• Cell volume: 2285.57 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No