Information card for entry 4313636

Structure parameters

• Chemical name: mu2-[(Difluoro)silanediyl]-bis[dicarbonyl(eta5-cyclopentadienyl)iron(II))]
• Formula: C14 H10 F2 Fe2 O4 Si
• Calculated formula: C14 H10 F2 Fe2 O4 Si
• SMILES: [Si](F)(F)([Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 7.719 ± 0.0001 Å
• b: 16.9176 ± 0.0002 Å
• c: 11.6193 ± 0.0002 Å
• α: 90°
• β: 98.5 ± 0.001°
• γ: 90°
• Cell volume: 1500.66 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No