Information card for entry 2243363

Structure parameters

• Chemical name: Tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido]ytterbium(III)
• Formula: C33 H39 N6 O3 Yb
• Calculated formula: C33 H39 N6 O3 Yb
• SMILES: c12ccccc1C1=[N](C(CO1)(C)C)[Yb]13(N2)(Nc2ccccc2C2=[N]1C(CO2)(C)C)Nc1ccccc1C1=[N]3C(CO1)(C)C
• Title of publication: Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)
• Authors of publication: Gajecki, Leah; Twamley, Brendan; Berg, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 703 - 709
• a: 10.9428 ± 0.0005 Å
• b: 9.8253 ± 0.0005 Å
• c: 28.6089 ± 0.0014 Å
• α: 90°
• β: 94.722 ± 0.001°
• γ: 90°
• Cell volume: 3065.5 ± 0.3 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes