Information card for entry 7132208

Structure parameters

• Common name: Ferrocenyl
• Chemical name: 2,2'-(Sulfinylbis(anthracene-10,9-diyl))diferrocene
• Formula: C48 H34 Fe2 O S
• Calculated formula: C48 H34 Fe2 O S
• Title of publication: The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides.
• Authors of publication: Removski, Nicole; Wolf, Michael O.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 10.591 ± 0.006 Å
• b: 42.48 ± 0.03 Å
• c: 15.387 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6923 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No