Information card for entry 2312653

Structure parameters

• Chemical name: 1,2-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: Pt 11
• Pages of publication: 716 - 727
• a: 7.8964 ± 0.0002 Å
• b: 12.9064 ± 0.0003 Å
• c: 11.0124 ± 0.0003 Å
• α: 90°
• β: 109.467 ± 0.001°
• γ: 90°
• Cell volume: 1058.16 ± 0.05 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No