Information card for entry 7117749

Structure parameters

• Common name: thiophenol-selenophenol alloy
• Formula: C6 H6 S0.95 Se0.05
• Calculated formula: C6 H6 S0.95 Se0.05
• 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: 13.8535 ± 0.0014 Å
• b: 11.4448 ± 0.0013 Å
• c: 7.1913 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1140.2 ± 0.2 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 b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No