Information card for entry 2202615

Structure parameters

• Chemical name: Dicarbonyl(eta5-methylcyclopentadienyl){eta2- [tricarbonyl(eta6-styrene)chromium(0)]}manganese(I)
• Formula: C19 H15 Cr Mn O5
• Calculated formula: C19 H15 Cr Mn O5
• SMILES: [Mn]1(C#[O])(C#[O])([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)[CH2]=[CH]1[c]12[Cr]([cH]13)([cH]21)([cH]12)([cH]21)([cH]13)(C#[O])(C#[O])(C#[O])
• Title of publication: Dicarbonyl(η^5^-methylcyclopentadienyl){η^2^-[tricarbonyl(η^6^-styrene)chromium(0)]}manganese(I)
• Authors of publication: Crocock, Barry; Long, Conor; Lyons, Michael; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m931 - m933
• a: 7.281 ± 0.004 Å
• b: 23.637 ± 0.014 Å
• c: 10.502 ± 0.005 Å
• α: 90°
• β: 99.19 ± 0.04°
• γ: 90°
• Cell volume: 1784.2 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes