Information card for entry 4115603

Structure parameters

• Common name: 97277
• Formula: C26 H24 Cl2 Fe N4 O9
• Calculated formula: C26 H24 Cl2 Fe N4 O9
• 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: 10.0336 ± 0.0002 Å
• b: 16.0283 ± 0.0004 Å
• c: 17.3444 ± 0.0002 Å
• α: 90°
• β: 101.619 ± 0.001°
• γ: 90°
• Cell volume: 2732.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections: 0.1437
• Weighted residual factors for significantly intense reflections: 0.1215
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No