Information card for entry 7710298

Structure parameters

• Formula: C18 H15 P Se
• Calculated formula: C18 H15 P Se
• SMILES: c1(ccccc1)[Se]P(c1ccccc1)c1ccccc1
• Title of publication: Heterometathesis of diphosphanes (R2P–PR2) with dichalcogenides (R'E–ER', E = O, S, Se, Te)
• Authors of publication: Branfoot, Callum; Pringle, Paul G.; Pridmore, Natalie E.; Young, Tom; Wass, Duncan
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.6381 ± 0.0007 Å
• b: 5.8673 ± 0.0003 Å
• c: 16.6147 ± 0.0007 Å
• α: 90°
• β: 107.392 ± 0.003°
• γ: 90°
• Cell volume: 1547.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No