Information card for entry 4083965

Structure parameters

• Formula: C41 H54 F9 La N6 O14 S3
• Calculated formula: C41 H54 F9 La N6 O14 S3
• 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: 12.9384 ± 0.0014 Å
• b: 18.489 ± 0.002 Å
• c: 22.34 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5344.1 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No