Information card for entry 4077821

Structure parameters

• Chemical name: Dicarbonyl(eta5-cyclopentadienyl)(eta2-tetrafluoropropadiene)manganese
• Formula: C10 H5 F4 Mn O2
• Calculated formula: C10 H5 F4 Mn O2
• SMILES: [Mn]12345([C](=[C]1=C(F)F)(F)F)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 6.6656 ± 0.0008 Å
• b: 7.1814 ± 0.0008 Å
• c: 11.8028 ± 0.0015 Å
• α: 81.32 ± 0.01°
• β: 84.44 ± 0.01°
• γ: 71.33 ± 0.009°
• Cell volume: 528.41 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No