Information card for entry 2215899

Structure parameters

• Common name: Orthomanganated 3-acetylacetophenone
• Chemical name: (6-Acetoxy-2-acetylphenyl-κ^2^C^1^,O^1^)tetracarbonylmanganese(I)
• Formula: C14 H9 Mn O7
• Calculated formula: C14 H9 Mn O7
• SMILES: [Mn]1(c2c(cccc2OC(=O)C)C(C)=[O]1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: (6-Acetoxy-2-acetylphenyl-κ^2^<i>C</i>^1^,<i>O</i>^1^)tetracarbonylmanganese(I)
• Authors of publication: Fester, Victor D.; Main, Lyndsay; Nicholson, Brian K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2655 - m2655
• a: 9.306 ± 0.002 Å
• b: 9.635 ± 0.002 Å
• c: 9.954 ± 0.002 Å
• α: 68.594 ± 0.003°
• β: 67.663 ± 0.003°
• γ: 68.422 ± 0.003°
• Cell volume: 740.9 ± 0.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes