Information card for entry 7708148

Structure parameters

• Formula: C42 H44 La P Si Te
• Calculated formula: C42 H44 La P Si Te
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[cH]12[cH]3[cH]4[cH]5[cH]1[La]16789%10%11%122345([cH]2[cH]1[cH]6[cH]7[cH]82)[cH]1[cH]9[cH]%10[cH]%11[cH]%121.C[Si](C)(C)[Te-]
• 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: 9.803 ± 0.002 Å
• b: 14.101 ± 0.003 Å
• c: 13.88 ± 0.003 Å
• α: 90°
• β: 102.94 ± 0.03°
• γ: 90°
• Cell volume: 1869.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No