Information card for entry 1100919

Structure parameters

• Formula: C2 O S
• Calculated formula: C1.94 O S
• a: 8.53 ± 0.01 Å
• b: 8.53 ± 0.01 Å
• c: 20.37 ± 0.01 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 120 ± 0.01°
• Cell volume: 1284 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.42
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No