Information card for entry 4304866

Structure parameters

• Formula: C60.5 H78 N6 O2 Si4 Yb2
• Calculated formula: C60.5 H78 N6 O2 Si4 Yb2
• SMILES: [Yb]123([N](c4c(c5c([O]2[Yb]26([N](c7c(c8c([O]36)cccc8C)c(ccc7)C)=Cc3n2ccc3)N([Si](C)(C)C)[Si](C)(C)C)cccc5C)c(ccc4)C)=Cc2n1ccc2)N([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization
• Authors of publication: Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4319 - 4328
• a: 15.1906 ± 0.0003 Å
• b: 13.1985 ± 0.0003 Å
• c: 31.126 ± 0.0008 Å
• α: 90°
• β: 92.699 ± 0.002°
• γ: 90°
• Cell volume: 6233.6 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No