Information card for entry 4070724

Structure parameters

• Formula: C24 H27 B F Fe N Sn
• Calculated formula: C24 H27 B F Fe N Sn
• SMILES: [B](F)([n]1ccccc1)([c]12[cH]3[Fe]4567892([c]1([Sn](C)(C)c1ccccc1)[cH]5[cH]34)[cH]1[cH]6[cH]7[cH]8[cH]91)C
• Title of publication: Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes
• Authors of publication: Boshra, Ramez; Doshi, Ami; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1534
• a: 12.0378 ± 0.0003 Å
• b: 15.882 ± 0.0003 Å
• c: 23.9342 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4575.84 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No