Information card for entry 4327618

Structure parameters

• Formula: C60 H100 Cl0 Fe4 N4 O18
• Calculated formula: C60 H100 Fe4 N4 O18
• Title of publication: Synthesis, Characterization, and Reactivity of Ferrous and Ferric Oxo/Peroxo Pivalate Complexes in Relation to Gif-Type Oxygenation of Substrates
• Authors of publication: Remle Çelenligil-Çetin; Richard J. Staples; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5838 - 5846
• a: 18.035 ± 0.004 Å
• b: 18.404 ± 0.003 Å
• c: 22.445 ± 0.003 Å
• α: 90°
• β: 94.093 ± 0.009°
• γ: 90°
• Cell volume: 7431 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No