Information card for entry 5000341

Structure parameters

• Formula: C22 H12 Cu N10 O6
• Calculated formula: C22 H12 Cu N10 O6
• a: 8.897 ± 0.004 Å
• b: 10.178 ± 0.005 Å
• c: 6.833 ± 0.003 Å
• α: 104.47 ± 0.03°
• β: 103.31 ± 0.03°
• γ: 109.22 ± 0.02°
• Cell volume: 531.7 ± 0.5 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No