Information card for entry 4083968

Structure parameters

• Formula: C51 H69 Cl6 N9 O6 Yb2
• Calculated formula: C51 H69 Cl6 N9 O6 Yb2
• SMILES: CC(C)[C@@H]1COC2c3cccc4C5=[N]([C@@H](CO5)C(C)C)[Yb]56(Cl)(Cl)([N]1=2)([n]34)[N]1[C@H](C(C)C)COC=1c1cccc(C2=[N]6[C@@H](CO2)C(C)C)[n]51.CC(C)[C@@H]1COC2c3cccc4C5=[N]([C@@H](CO5)C(C)C)[Yb](Cl)(Cl)(Cl)(Cl)([N]1=2)[n]34
• Title of publication: Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes
• Authors of publication: Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3458
• a: 15.0756 ± 0.0007 Å
• b: 48.534 ± 0.002 Å
• c: 9.6438 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7056.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No