Information card for entry 1519308

Structure parameters

• Formula: C19 H5 B F10 Fe O2
• Calculated formula: C19 H5 B F10 Fe O2
• SMILES: [Fe]1234([cH]5[cH]1[cH]3[cH]4[cH]25)(C#[O])(C#[O])B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: (I.5-Cyclopentadienyl)-dicarbonyl-(bis(pentafluorophenyl)boryl)-iron
• Authors of publication: Hursthouse, Michael B.; Light, Mark E.; Willock, D. J.; Dickinson, A. A.; Calder, R. J.; Al-Fawaz, A.; Aldridge, Simon
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 105
• a: 10.6895 ± 0.0002 Å
• b: 13.406 ± 0.0002 Å
• c: 13.6885 ± 0.0002 Å
• α: 93.628 ± 0.003°
• β: 93.588 ± 0.003°
• γ: 113.06 ± 0.003°
• Cell volume: 1793.08 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No