Information card for entry 7715309

Structure parameters

• Formula: C18 H23 P S
• Calculated formula: C18 H23 P S
• SMILES: S=P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)₂A-EPMes₂]₂ (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes₂].
• Authors of publication: Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5711 - 5720
• a: 8.0974 ± 0.0003 Å
• b: 8.5354 ± 0.0003 Å
• c: 12.0938 ± 0.0004 Å
• α: 83.001 ± 0.002°
• β: 77.127 ± 0.002°
• γ: 89.041 ± 0.002°
• Cell volume: 808.73 ± 0.05 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No