Information card for entry 4085019

Structure parameters

• Formula: C27 H60 Li3 O6 Y
• Calculated formula: C27 H60 Li3 O6 Y
• SMILES: [Y]12345[CH2]6[Li]7([O](C)CC[O]7C)[CH2]2CCC[CH2]5[Li]2([O](C)CC[O]2C)[CH2]3CCC[CH2]4[Li]2([O](C)CC[O]2C)[CH2]1CCC6
• 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: 11.7402 ± 0.0002 Å
• b: 16.0232 ± 0.0004 Å
• c: 17.8617 ± 0.0003 Å
• α: 90°
• β: 94.98 ± 0.001°
• γ: 90°
• Cell volume: 3347.38 ± 0.12 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: 0.0361
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No