Information card for entry 4065529

Structure parameters

• Formula: C27 H22 B F4 Fe Mn O4
• Calculated formula: C27 H22 B F4 Fe Mn O4
• Title of publication: Ferrocenyl-Substituted (η5-Hydroxyalkylcyclohexadienyl)tricarbonylmanganese Complexes: Synthesis, Structural Determinations, and Formation of Carbenium Ions
• Authors of publication: Eloi, Antoine; Poizat, Mael; Hautecoeur, Albin; Panossian, Armen; Rose-Munch, Françoise; Rose, Eric
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5564
• a: 14.274 ± 0.002 Å
• b: 9.2958 ± 0.0009 Å
• c: 20.041 ± 0.003 Å
• α: 90°
• β: 101.746 ± 0.014°
• γ: 90°
• Cell volume: 2603.5 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.1545
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9465
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No