Information card for entry 2312658

Structure parameters

• Chemical name: 1,2,3,4-Tetrakis(phenylsulfanyl)ferrocene
• Formula: C34 H26 Fe S4
• Calculated formula: C34 H26 Fe S4
• 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: 8.4836 ± 0.0004 Å
• b: 10.3028 ± 0.0005 Å
• c: 16.721 ± 0.0008 Å
• α: 90.73 ± 0.002°
• β: 103.948 ± 0.002°
• γ: 94.999 ± 0.002°
• Cell volume: 1412.15 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No