Information card for entry 4346857

Structure parameters

• Formula: C45.29 H42.29 Fe3 Mn O6
• Calculated formula: C45.297 H42.297 Fe3 Mn O6
• Title of publication: Consequences of Electron-Density Manipulations on the X-ray Photoelectron Spectroscopic Properties of Ferrocenyl-β-diketonato Complexes of Manganese(III). Structure of [Mn(FcCOCHCOCH3)3].
• Authors of publication: Buitendach, Blenerhassitt E.; Erasmus, Elizabeth; Landman, Marilé; Niemantsverdriet, J. W. Hans; Swarts, Jannie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 1992 - 2000
• a: 10.7776 ± 0.0003 Å
• b: 14.1725 ± 0.0005 Å
• c: 14.9765 ± 0.0005 Å
• α: 107.596 ± 0.002°
• β: 106.553 ± 0.002°
• γ: 107.047 ± 0.002°
• Cell volume: 1901.6 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No