Information card for entry 4083967

Structure parameters

• Formula: C55 H72 Cl6 Eu2 N11 O6
• Calculated formula: C55 H72 Cl6 Eu2 N11 O6
• SMILES: O1C2c3cccc4C5=[N]([C@H](C(C)C)CO5)[Eu]56(Cl)(Cl)([N]7[C@H](C(C)C)COC=7c7cccc(C8=[N]6[C@@H](CO8)C(C)C)[n]57)([n]34)[N]=2[C@@H](C1)C(C)C.CC(C)[C@@H]1COC2c3cccc4C5=[N]([C@@H](CO5)C(C)C)[Eu](Cl)(Cl)(Cl)(Cl)([N]1=2)[n]34.C(#N)C.C(#N)C
• 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: 48.157 ± 0.007 Å
• b: 9.5111 ± 0.0014 Å
• c: 15.123 ± 0.002 Å
• α: 90°
• β: 98.601 ± 0.002°
• γ: 90°
• Cell volume: 6848.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No