Information card for entry 4085018

Structure parameters

• Formula: C24 H54 Li3 O6 Y
• Calculated formula: C24 H54 Li3 O6 Y
• SMILES: [Y]12345[CH2]6[Li]7([O](C)CC[O]7C)[CH2]2CC[CH2]5[Li]2([O](C)CC[O]2C)[CH2]3CC[CH2]4[Li]2([O](C)CC[O]2C)[CH2]1CC6
• Title of publication: Homoleptic Tris(α,ω-alkanediyl)yttriates of the Type [{Li(dme)}3{Y(CH2-X-CH2)3}] (X = C2H4, C3H6, Si(CH3)2)
• Authors of publication: Fischer, Reinald; Bode, Stefan; Köhler, Mathias; Langer, Jens; Görls, Helmar; Hager, Martin D.; Schubert, Ulrich S.; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 23
• a: 10.1504 ± 0.0002 Å
• b: 17.0701 ± 0.0003 Å
• c: 17.8492 ± 0.0004 Å
• α: 90°
• β: 101.066 ± 0.001°
• γ: 90°
• Cell volume: 3035.2 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No