Information card for entry 4000408

Structure parameters

• Formula: C10 H8 Br0.25 Cl0.75 I0.5 S8
• Calculated formula: C10 H8 Br0.249 Cl0.751 I0.5 S8
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 5.757 ± 0.001 Å
• b: 9.029 ± 0.002 Å
• c: 16.29 ± 0.003 Å
• α: 92.8 ± 0.02°
• β: 96.78 ± 0.02°
• γ: 103.77 ± 0.02°
• Cell volume: 814.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.0499
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No