Information card for entry 4000062

Structure parameters

• Formula: C12 H8 Cd N2 O4
• Calculated formula: C12 H8 Cd N2 O4
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 10.0548 ± 0.0008 Å
• b: 10.2194 ± 0.0008 Å
• c: 12.7326 ± 0.001 Å
• α: 90°
• β: 105.169 ± 0.002°
• γ: 90°
• Cell volume: 1262.74 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No