Information card for entry 7712937

Structure parameters

• Formula: C20 H30 Fe O4 S2
• Calculated formula: C20 H30 Fe O4 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: 9.7712 ± 0.0005 Å
• b: 9.7712 Å
• c: 22.4446 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2142.93 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No