Information card for entry 4319741

Structure parameters

• Formula: C32 H64 Cl10 Li2 O10 Sc4
• Calculated formula: C32 H64 Cl10 Li2 O10 Sc4
• SMILES: [Sc]1234([Cl][Li]5([Cl][Sc]67([O]3[Sc](Cl)([Cl]1)([Cl][Li]([Cl]2)([O]1CCCC1)[Cl]6)([O]1CCCC1)[O]1CCCC1)([Cl][Sc](Cl)([Cl]5)([O]47)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Terphenyl Ligand Systems in Lanthanide Chemistry: Use of the 2,6-Di(1-naphthyl)phenyl Ligand for the Synthesis of Kinetically Stabilized Complexes of Trivalent Ytterbium, Thulium, and Yttrium
• Authors of publication: Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2682 - 2685
• a: 11.0975 ± 0.0009 Å
• b: 11.0976 ± 0.0009 Å
• c: 21.3305 ± 0.0018 Å
• α: 90°
• β: 94.718 ± 0.002°
• γ: 90°
• Cell volume: 2618.1 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No