Information card for entry 4000066

Structure parameters

• Formula: C24 H16 N2 O4 S2 Zn
• Calculated formula: C24 H16 N2 O4 S2 Zn
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 17.1501 ± 0.0015 Å
• b: 9.9657 ± 0.0009 Å
• c: 12.1082 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2069.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No