Information card for entry 2312657

Structure parameters

• Chemical name: 1,2-Bis(phenylsulfanyl)ferrocene
• Formula: C22 H18 Fe S2
• Calculated formula: C22 H18 Fe 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: 14.0977 ± 0.0011 Å
• b: 7.1607 ± 0.0005 Å
• c: 8.8504 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.44 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No