Information card for entry 4078268

Structure parameters

• Chemical name: {2,6-[1-(2,6-dimethylphenylimino)ethyl]pyridine}cobalt(I) pi-allyl complex
• Formula: C28 H32 Co N3
• Calculated formula: C28 H32 Co N3
• SMILES: [Co]1234([n]5c(cccc5C(=[N]1c1c(cccc1C)C)C)C(=[N]2c1c(cccc1C)C)C)[CH2]=[CH]3C4
• Title of publication: Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes
• Authors of publication: Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3958
• a: 19.1003 ± 0.0011 Å
• b: 30.6877 ± 0.0018 Å
• c: 8.3627 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4901.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No