Information card for entry 4105258

Structure parameters

• Chemical name: Chlorido{2,6-bis[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridine- κ<i>N</i>(.1-)}nickel(II)‒toluene (1/2)
• Formula: C47 H59 Cl N3 Ni
• Calculated formula: C47 H59 Cl N3 Ni
• Title of publication: Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character
• Authors of publication: Tony D. Manuel; Jan-Uwe Rohde
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15582 - 15583
• a: 19.115 ± 0.002 Å
• b: 13.0015 ± 0.0014 Å
• c: 19.112 ± 0.002 Å
• α: 90°
• β: 113.704 ± 0.005°
• γ: 90°
• Cell volume: 4349.1 ± 0.8 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No