Information card for entry 2312654

Structure parameters

• Chemical name: 1,3-Bis[(4-methylbenzene)sulfinyl]ferrocene
• Formula: C24 H22 Fe O2 S2
• Calculated formula: C24 H22 Fe O2 S2
• Title of publication: Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
• Authors of publication: Blockhaus, Tobias; Sünkel, Karlheinz
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• a: 17.1882 ± 0.001 Å
• b: 6.0383 ± 0.0004 Å
• c: 20.4271 ± 0.0012 Å
• α: 90°
• β: 95.995 ± 0.002°
• γ: 90°
• Cell volume: 2108.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No