Information card for entry 7101222

Structure parameters

• Formula: C20 H4 B F11 Fe O3
• Calculated formula: C20 H4 B F11 Fe O3
• SMILES: [Fe]1234(C#[O])(C#[O])(C#[O])[cH]5[c]4([cH]3[cH]2[cH]15)B(F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Migratory insertion of [B(C6F5)2]- into C-H bonds: CO promoted boryl anion transfer
• Authors of publication: S. Aldridge; A. Al-Fawaz; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Kevin M. Jones; Deborah L. Kays
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 24
• a: 7.5733 ± 0.0004 Å
• b: 8.4751 ± 0.0004 Å
• c: 15.5751 ± 0.0007 Å
• α: 103.05 ± 0.002°
• β: 90.431 ± 0.002°
• γ: 92.131 ± 0.002°
• Cell volume: 973.06 ± 0.08 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: 0.0378
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.6751 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No