Information card for entry 4000230

Structure parameters

• Formula: C4 H16 F Fe N3 O8 S2
• Calculated formula: C4 H16 F Fe N3 O8 S2
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 8.5 ± 0.006 Å
• b: 7.305 ± 0.006 Å
• c: 19.846 ± 0.017 Å
• α: 90°
• β: 96.49 ± 0.04°
• γ: 90°
• Cell volume: 1224.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.114
• Goodness-of-fit parameter for all reflections: 0.913
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No