Information card for entry 7123779

Structure parameters

• Formula: C14 H16 Cl F Fe I N
• Calculated formula: C14 H16 Cl F Fe I N
• Title of publication: Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes
• Authors of publication: Erb, William; Roisnel, Thierry
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.6115 ± 0.0019 Å
• b: 11.5 ± 0.002 Å
• c: 17.886 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1565.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No