Information card for entry 4117687

Structure parameters

• Formula: C27 H39 Cl Co N3
• Calculated formula: C27 H39 Cl Co N3
• SMILES: CC1c2cccc3C(C)=[N]([C@H](C)C(C)(C)C)[Co]([N]=1c1c(cccc1C(C)C)C(C)C)([n]23)Cl
• 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: 9.611 ± 0.002 Å
• b: 12.746 ± 0.003 Å
• c: 24.056 ± 0.006 Å
• α: 90°
• β: 95.094 ± 0.003°
• γ: 90°
• Cell volume: 2935.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No