Information card for entry 7017440

Structure parameters

• Formula: C25 H22 Au I5 P2 S
• Calculated formula: C25 H22 Au I5 P2 S
• SMILES: [Au]1(I)(I)[P](CP(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.I[I-]I
• 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: 10.4495 ± 0.0005 Å
• b: 14.0201 ± 0.0003 Å
• c: 21.6335 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3169.37 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No