Information card for entry 4000212

Structure parameters

• Formula: C7 H7 Cu I N O
• Calculated formula: C7 H7 Cu I N O
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 4.121 ± 0.004 Å
• b: 8.376 ± 0.004 Å
• c: 26.321 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 908.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No