Information card for entry 4317999

Structure parameters

• Chemical name: Cp2FeMn
• Formula: C25 H13 F18 Fe Mn O6
• Calculated formula: C25 H13 F18 Fe Mn O6
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.C(C1=CC(C(F)(F)F)=[O][Mn]23(O1)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)[O]=C(C=C(C(F)(F)F)O3)C(F)(F)F)(F)(F)F
• Title of publication: Oxidations of Hydrocarbons by Manganese(III) Tris(hexafluoroacetylacetonate)
• Authors of publication: Jasmine R. Bryant; Janelle E. Taves; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2769 - 2776
• a: 8.5403 ± 0.0003 Å
• b: 20.3938 ± 0.0009 Å
• c: 18.3572 ± 0.0007 Å
• α: 90°
• β: 100.187 ± 0.002°
• γ: 90°
• Cell volume: 3146.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1703
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No