Information card for entry 4304865

Structure parameters

• Formula: C100 H136 N12 O4 Si8 Y4
• Calculated formula: C100 H136 N12 O4 Si8 Y4
• SMILES: [Y]123([O]4[Y]5([N](c6c(c7c4cccc7C)c(ccc6)C)=Cc4n5ccc4)(N([Si](C)(C)C)[Si](C)(C)C)[O]3c3c(c(ccc3)C)c3c([N]1=Cc1n2ccc1)cccc3C)N([Si](C)(C)C)[Si](C)(C)C.[Y]12345[O](c6c(c(ccc6)C)c6c([N]3=Cc3n4ccc3)cccc6C)[Y](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]5c3c(c(ccc3)C)c3c([N]1=Cc1n2ccc1)cccc3C
• 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: 12.5736 ± 0.0007 Å
• b: 19.1832 ± 0.001 Å
• c: 45.84 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11056.7 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No