Information card for entry 4085020

Structure parameters

• Formula: C20 H40 Cl2 Li2 O4
• Calculated formula: C20 H40 Cl2 Li2 O4
• SMILES: [Li]1([O]2CCCCC2)([O]2CCCCC2)[Cl][Li]([O]2CCCCC2)([O]2CCCCC2)[Cl]1
• 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: 7.9359 ± 0.0001 Å
• b: 12.1367 ± 0.0003 Å
• c: 12.7334 ± 0.0003 Å
• α: 90°
• β: 92.122 ± 0.002°
• γ: 90°
• Cell volume: 1225.58 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No