Information card for entry 4002972

Structure parameters

• Chemical name: di(ortho-methylphenyl) selane
• Formula: C14 H14 Se
• Calculated formula: C14 H14 Se
• Title of publication: Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry
• Authors of publication: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6598
• a: 7.13182 ± 0.00014 Å
• b: 7.33176 ± 0.00014 Å
• c: 22.8392 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1194.23 ± 0.04 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No