Information card for entry 4081511

Structure parameters

• Formula: C53 H50 B2 Cl2 Fe2 N2
• Calculated formula: C53 H50 B2 Cl2 Fe2 N2
• 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: 21.8325 ± 0.0003 Å
• b: 8.9628 ± 0.0001 Å
• c: 11.3912 ± 0.0002 Å
• α: 90°
• β: 98.691 ± 0.001°
• γ: 90°
• Cell volume: 2203.44 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No