Information card for entry 4117683

Structure parameters

• Formula: C33 H49 Cl Co N3 O
• Calculated formula: C33 H49 Cl Co N3 O
• SMILES: CC1c2cccc3C(C)=[N]([C@@H](C)C4CCCCC4)[Co]([N]=1c1c(cccc1C(C)C)C(C)C)([n]23)Cl.C1CCCO1
• Title of publication: Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation
• Authors of publication: Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4561 - 4564
• a: 11.5067 ± 0.0009 Å
• b: 16.4629 ± 0.0012 Å
• c: 16.701 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3163.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No