Information card for entry 4115601

Structure parameters

• Common name: 99139
• Formula: C26 H31.5 Cl2 Fe N6.5 O8
• Calculated formula: C26 H31.5 Cl2 Fe N6.5 O8
• 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: 11.468 ± 0.002 Å
• b: 11.835 ± 0.002 Å
• c: 12.691 ± 0.002 Å
• α: 74.252 ± 0.003°
• β: 77.657 ± 0.003°
• γ: 68.165 ± 0.003°
• Cell volume: 1526.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for all reflections: 0.809
• Goodness-of-fit parameter for significantly intense reflections: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No