Information card for entry 2202811

Structure parameters

• Common name: eta5-cyclopentadienyldicarbonyliodoiron
• Chemical name: eta5-cyclopentadienyldicarbonyliodoiron
• Formula: C7 H5 Fe I O2
• Calculated formula: C7 H5 Fe I O2
• SMILES: C([Fe]1234(I)([cH]5[cH]1[cH]3[cH]2[cH]45)C#[O])#[O]
• Title of publication: Dicarbonyl(η^5^-cyclopentadienyl)iodoiron(II)
• Authors of publication: Zeller, Matthias; Lazich, Evelyn; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m914 - m915
• a: 13.1442 ± 0.0007 Å
• b: 10.2568 ± 0.0006 Å
• c: 12.868 ± 0.0007 Å
• α: 90°
• β: 101.502 ± 0.001°
• γ: 90°
• Cell volume: 1699.99 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes