Information card for entry 7123781

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: 25.124 ± 0.004 Å
• b: 35.336 ± 0.006 Å
• c: 7.0952 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6299 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No