Information card for entry 4076179

Structure parameters

• Formula: C15 H17 Mn O4
• Calculated formula: C15 H17 Mn O4
• SMILES: [Mn]1234(C#[O])(C#[O])(C#[O])[CH]5=[CH]1C2[CH]3=[CH]4C5[C@@H]1CCCC[C@H]1O.[Mn]1234(C#[O])(C#[O])(C#[O])[CH]5=[CH]1C2[CH]3=[CH]4C5[C@H]1CCCC[C@@H]1O
• Title of publication: Indium-Mediated Alkyl Radical Addition to (η6-Arene)tricarbonylmanganese Complexes in Aqueous Media
• Authors of publication: Cao, Lidong; Shen, Meihua; Li, Chaozhong
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5983
• a: 10.01 ± 0.006 Å
• b: 11.712 ± 0.008 Å
• c: 12.614 ± 0.008 Å
• α: 76.691 ± 0.013°
• β: 87.738 ± 0.011°
• γ: 87.513 ± 0.013°
• Cell volume: 1437.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No