Information card for entry 4000065

Structure parameters

• Formula: C28 H22 N2 O5 Zn
• Calculated formula: C28 H22 N2 O4.38 Zn
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 7.6251 ± 0.0005 Å
• b: 25.4296 ± 0.0018 Å
• c: 5.8625 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.76 ± 0.13 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No