Information card for entry 4081510

Structure parameters

• Formula: C20 H25 Fe N Sn
• Calculated formula: C20 H25 Fe N Sn
• SMILES: [Sn]1([c]23[cH]4[Fe]56789%102([cH]4[cH]5[c]36c2[n]1cc(cc2C)C)[cH]1[cH]%10[cH]8[cH]7[cH]91)(C)(C)C
• Title of publication: Stereoselective Ortho Borylation of Pyridylferrocenes
• Authors of publication: Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5843
• a: 10.0515 ± 0.0002 Å
• b: 10.0515 ± 0.0002 Å
• c: 32.8264 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2872.21 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No