Information card for entry 4000228

Structure parameters

• Formula: C2 H10 F3 Fe N2 O4 S
• Calculated formula: C2 H10 F3 Fe N2 O4 S
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 6.4111 ± 0.0006 Å
• b: 9.5223 ± 0.0008 Å
• c: 13.1307 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 801.61 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.0806
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No