Information card for entry 7708150

Structure parameters

• Formula: C27 H29 P S Si
• Calculated formula: C27 H29 P S Si
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)[S-]
• Title of publication: Heavy silylchalcogenido lanthanates synthesis Ph₄P[Cp₃La-ESiMe₃] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph₄P[OCO₂Me] key intermediate.
• Authors of publication: Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 13103 - 13111
• a: 17.6627 ± 0.0003 Å
• b: 15.3022 ± 0.0003 Å
• c: 18.0163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4869.41 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No