Information card for entry 4000061

Structure parameters

• Formula: C12 H8 N2 O4 Zn
• Calculated formula: C16 H10.6667 N2.66667 O5.33333 Zn1.33333
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 7.7094 ± 0.0002 Å
• b: 7.7094 ± 0.0002 Å
• c: 20.3266 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1208.11 ± 0.06 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.465
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No