Information card for entry 4076644

Structure parameters

• Formula: C35 H48 Cl N2 Yb
• Calculated formula: C35 H48 Cl N2 Yb
• SMILES: [Yb]12345(Cl)([N](c6c(cccc6C(C)C)C(C)C)=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)[c]1([cH]2[cH]3[cH]5[cH]41)C
• Title of publication: Synthesis, Reactivity, and Structure of Mixed-Ligand Ytterbium Complexes Supported by β-Diketiminate
• Authors of publication: Yao, Yingming; Zhang, Yong; Shen, Qi; Yu, Kaibei
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 819
• a: 10.422 ± 0.002 Å
• b: 26.247 ± 0.005 Å
• c: 12.653 ± 0.002 Å
• α: 90°
• β: 106.05 ± 0.01°
• γ: 90°
• Cell volume: 3326.3 ± 1.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No