Information card for entry 7123777

Structure parameters

• Formula: C17 H25 Cl Fe I N Si
• Calculated formula: C17 H25 Cl Fe I N Si
• 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: 12.213 ± 0.002 Å
• b: 12.0222 ± 0.0019 Å
• c: 14.68 ± 0.002 Å
• α: 90°
• β: 112.181 ± 0.006°
• γ: 90°
• Cell volume: 1995.9 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No