Information card for entry 7017439

Structure parameters

• Formula: C30.5 H25 Au Br5 Cl P2 S
• Calculated formula: C30.5 H25 Au Br5 Cl P2 S
• SMILES: [Au](Br)(Br)(Br)[Br-].[Br-].S1[P+](c2c([P+]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 14.948 ± 0.002 Å
• b: 16.397 ± 0.003 Å
• c: 16.986 ± 0.003 Å
• α: 117.927 ± 0.015°
• β: 94.835 ± 0.012°
• γ: 108.542 ± 0.015°
• Cell volume: 3349.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.605
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No