Information card for entry 4115602

Structure parameters

• Common name: 00389
• Formula: C24 H20 F6 Fe N4 O6 S2
• Calculated formula: C24 H20 F6 Fe N4 O6 S2
• Title of publication: Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species
• Authors of publication: Kui Chen; Lawrence Que
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6327 - 6337
• a: 9.864 ± 0.002 Å
• b: 9.864 ± 0.002 Å
• c: 24.777 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2087.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No