Information card for entry 7129581

Structure parameters

• Formula: C26 H38 Fe O S2 Si2
• Calculated formula: C26 H38 Fe O S2 Si2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[c]49[Si](C)(C)C)[c]1(Sc2ccccc2)[cH]5[cH]6[c]7([Si](C)(C)C)[c]81S(=O)C(C)(C)C
• 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: 9.3403 ± 0.0006 Å
• b: 13.341 ± 0.0008 Å
• c: 12.3446 ± 0.0008 Å
• α: 90°
• β: 109.899 ± 0.003°
• γ: 90°
• Cell volume: 1446.41 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No