Information card for entry 4077659

Structure parameters

• Formula: C44 H50 N2 Na O2 Sm
• Calculated formula: C44 H50 N2 Na O2 Sm
• SMILES: [Sm]12345678([cH]9[cH]1[c]2([cH]3[cH]49)C)([cH]1[cH]5[cH]6[c]7([cH]81)C)(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.[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: 9.006 ± 0.001 Å
• b: 22.009 ± 0.002 Å
• c: 20.763 ± 0.002 Å
• α: 90°
• β: 101.83 ± 0.01°
• γ: 90°
• Cell volume: 4028.1 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No