Information card for entry 2203619

Structure parameters

• Formula: C15 H21 Br Fe O2
• Calculated formula: C15 H21 Br Fe O2
• SMILES: BrCCC[Fe]1234([c]5([c]2([c]3(C)[c]1(C)[c]45C)C)C)(C#[O])C#[O]
• Title of publication: Bromopropyldicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II)
• Authors of publication: Holger B. Friedrich; Martin O. Onani; Melanie Rademeyer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m551 - m553
• a: 11.371 ± 0.009 Å
• b: 12.369 ± 0.011 Å
• c: 11.61 ± 0.008 Å
• α: 90°
• β: 107.12 ± 0.06°
• γ: 90°
• Cell volume: 1561 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes