Information card for entry 4077660

Structure parameters

• Formula: C44 H50 Er N2 Na O2
• Calculated formula: C44 H50 Er N2 Na O2
• SMILES: [Er]12345678(N(c9ccccc9)c9ccccc9)(N(c9ccccc9)c9ccccc9)([cH]9[c]4([cH]3[cH]2[cH]19)C)[cH]1[c]8([cH]7[cH]6[cH]51)C.[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: Novel Anionic Lanthanocene Amide Complexes: Syntheses and X-ray Crystal Structures of [Na(THF)2(μ-η5:η5-MeC5H4)2Ln(NPh2)2]n(Ln = Sm, Er)
• Authors of publication: Wang, Yaorong; Shen, Qi; Xue, Feng; Yu, Kaibei
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 357
• a: 8.889 ± 0.002 Å
• b: 21.982 ± 0.004 Å
• c: 20.646 ± 0.003 Å
• α: 90°
• β: 101.3 ± 0.01°
• γ: 90°
• Cell volume: 3956 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No