Information card for entry 4000465

Structure parameters

• Formula: H6 N O9 S2 Y
• Calculated formula: H6 N O9 S2 Y
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 10.219 ± 0.002 Å
• b: 8.3384 ± 0.0014 Å
• c: 10.323 ± 0.002 Å
• α: 90°
• β: 119.482 ± 0.003°
• γ: 90°
• Cell volume: 765.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections: 0.1519
• Weighted residual factors for significantly intense reflections: 0.1266
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No