Information card for entry 4117684

Structure parameters

• Formula: C30 H44 Co N3
• Calculated formula: C30 H44 Co N3
• SMILES: CC1c2cccc3C(C)=[N]([C@H](C4CCCCC4)C)[Co](C)([N]=1c1c(cccc1C(C)C)C(C)C)[n]23
• 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: 9.9551 ± 0.0015 Å
• b: 23.702 ± 0.004 Å
• c: 11.8587 ± 0.0018 Å
• α: 90°
• β: 103.765 ± 0.002°
• γ: 90°
• Cell volume: 2717.8 ± 0.7 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: 0.0731
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No