Information card for entry 7712936

Structure parameters

• Formula: C18 H26 Fe O2 S2
• Calculated formula: C18 H26 Fe O2 S2
• Title of publication: From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.
• Authors of publication: Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3725 - 3737
• a: 18.44 ± 0.003 Å
• b: 10.1792 ± 0.0016 Å
• c: 5.9928 ± 0.0009 Å
• α: 90°
• β: 103.022 ± 0.005°
• γ: 90°
• Cell volume: 1095.9 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0991
• 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