Information card for entry 7129582

Structure parameters

• Formula: C17 H25 Fe I O S Si
• Calculated formula: C17 H25 Fe I O S Si
• Title of publication: Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity
• Authors of publication: Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.6604 ± 0.0005 Å
• b: 11.6304 ± 0.0006 Å
• c: 15.9593 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978.71 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0273
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No