Information card for entry 4117686

Structure parameters

• Formula: C29 H40 Co N3
• Calculated formula: C29 H40 Co N3
• SMILES: CC1c2cccc3C(C)=[N]4[C@@H]([C@@H]5CCCC[C@H]5[Co]4([N]=1c1c(cccc1C(C)C)C(C)C)[n]23)C
• 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: 12.3772 ± 0.0004 Å
• b: 8.3551 ± 0.0003 Å
• c: 12.5191 ± 0.0004 Å
• α: 90°
• β: 91.313 ± 0.002°
• γ: 90°
• Cell volume: 1294.29 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No