Information card for entry 4313638

Structure parameters

• Chemical name: mu2-[(Dibromo)silanediyl]-bis[dicarbonyl(eta5-cyclopentadienyl)iron(II))]
• Formula: C14 H10 Br2 Fe2 O4 Si
• Calculated formula: C14 H10 Br2 Fe2 O4 Si
• SMILES: [cH]12[cH]3[cH]4[cH]5[Fe]134(C#[O])(C#[O])([Si](Br)(Br)[Fe]1346([cH]7[cH]1[cH]3[cH]4[cH]67)(C#[O])C#[O])[cH]25
• Title of publication: Silylene-Bridged Dinuclear Iron Complexes [Cp(OC)2Fe]2SiX2 (X = H, F, Cl, Br, I). Synthesis, Molecular Structure, Vibrational Spectroscopy, and Theoretical Studies
• Authors of publication: Matthias Vögler; Ioana Pavel; Marco Hofmann; Damien Moigno; Martin Nieger; Wolfgang Kiefer; Wolfgang Malisch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3274 - 3284
• a: 16.429 ± 0.004 Å
• b: 7.624 ± 0.002 Å
• c: 14.816 ± 0.004 Å
• α: 90°
• β: 116.91 ± 0.02°
• γ: 90°
• Cell volume: 1654.8 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No