Information card for entry 4000231

Structure parameters

• Formula: C4 H12 F3 Fe N2 O4 S
• Calculated formula: C4 H12 F3 Fe N2 O4 S
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 7.3521 ± 0.0006 Å
• b: 8.5698 ± 0.0006 Å
• c: 8.5925 ± 0.0006 Å
• α: 70.784 ± 0.001°
• β: 73.569 ± 0.002°
• γ: 69.889 ± 0.002°
• Cell volume: 471.17 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.0814
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No