Information card for entry 7017438

Structure parameters

• Formula: C25 H22 Au Br5 P2 S
• Calculated formula: C25 H22 Au Br5 P2 S
• SMILES: [Au]1(Br)(Br)[P](CP(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Br[Br-]Br
• 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: 10.3072 ± 0.0006 Å
• b: 13.378 ± 0.002 Å
• c: 21.0032 ± 0.0016 Å
• α: 90°
• β: 91.302 ± 0.007°
• γ: 90°
• Cell volume: 2895.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No