Information card for entry 4077819

Structure parameters

• Chemical name: Dicarbonyl(eta5-cyclopentadienyl)(eta2-propadien)manganese
• Formula: C10 H9 Mn O2
• Calculated formula: C10 H9 Mn O2
• SMILES: [Mn]12345(C#[O])(C#[O])([cH]6[cH]1[cH]2[cH]3[cH]46)[C](=C)=[CH2]5
• Title of publication: Coordination Chemistry of Fluorinated Allenes
• Authors of publication: Lentz, Dieter; Willemsen, Stefan
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3962
• a: 10.321 ± 0.002 Å
• b: 7.397 ± 0.002 Å
• c: 23.885 ± 0.004 Å
• α: 90°
• β: 99.1 ± 0.02°
• γ: 90°
• Cell volume: 1800.5 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No