Information card for entry 7708154

Structure parameters

• Formula: C42 H44 La P S Si
• Calculated formula: C42 H44 La P S Si
• SMILES: [La]123456789%10%11%12([cH]%13[cH]%10[cH]%11[cH]1[cH]2%13)([cH]1[cH]3[cH]4[cH]5[cH]61)[cH]1[cH]7[cH]8[cH]9[cH]1%12.[S-][Si](C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.343 ± 0.003 Å
• b: 15.449 ± 0.003 Å
• c: 16.998 ± 0.003 Å
• α: 90°
• β: 100.44 ± 0.03°
• γ: 90°
• Cell volume: 3704.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No