Information card for entry 7117751

Structure parameters

• Common name: thiophenol-selenophenol alloy
• Chemical name: thiophenol-selenophenol
• Formula: C6 H6 S0.75 Se0.25
• Calculated formula: C6 H6 S0.75 Se0.25
• Title of publication: Organic alloys of room temperature liquids thiophenol and selenophenol
• Authors of publication: Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14255
• a: 7.2109 ± 0.001 Å
• b: 11.3897 ± 0.0016 Å
• c: 13.9705 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.4 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P n a b
• Hall space group symbol: -P 2bc 2n
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No