Information card for entry 4304868

Structure parameters

• Formula: C116.5 H126 N9 O4 Si2 Yb3
• Calculated formula: C116.5 H126 N9 O4 Si2 Yb3
• SMILES: [Yb]12345[N](c6c(c7c8c(ccc7[O]4[Yb]4(N([Si](C)(C)C)[Si](C)(C)C)([O]5c5c(c7c(cc5)CCCC7)c5c([N]2=Cc2n3ccc2)ccc2c5CCCC2)[O]2[Yb]357([N](c9c(c%10c2ccc2c%10CCCC2)c2c(cc9)CCCC2)=Cc2n3ccc2)[N](c2c(c3c([O]47)ccc4c3CCCC4)c3c(cc2)CCCC3)=Cc2n5ccc2)CCCC8)c2c(cc6)CCCC2)=Cc2n1ccc2.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: 14.7699 ± 0.0008 Å
• b: 22.0136 ± 0.001 Å
• c: 31.2361 ± 0.0018 Å
• α: 90°
• β: 100.426 ± 0.003°
• γ: 90°
• Cell volume: 9988.4 ± 0.9 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: 0.0865
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No