Information card for entry 4000229

Structure parameters

• Formula: C H6 F0.5 Fe0.5 N3 O4 S
• Calculated formula: C H6 F0.5 Fe0.5 N3 O4 S
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 11.0508 ± 0.0009 Å
• b: 16.014 ± 0.0013 Å
• c: 7.1023 ± 0.0005 Å
• α: 90°
• β: 99.471 ± 0.002°
• γ: 90°
• Cell volume: 1239.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.0689
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No