Information card for entry 7101221

Structure parameters

• Formula: C20 H5 B F10 Fe O3
• Calculated formula: C20 H5 B F10 Fe O3
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(C#[O])C#[O])[BH](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 7.4491 ± 0.0003 Å
• b: 8.4985 ± 0.0004 Å
• c: 15.6646 ± 0.0005 Å
• α: 103.233 ± 0.002°
• β: 90.73 ± 0.002°
• γ: 92.815 ± 0.002°
• Cell volume: 963.88 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No