Information card for entry 4339815

Structure parameters

• Formula: C24 H30 N2 Ni O2
• Calculated formula: C24 H30 N2 Ni O2
• SMILES: C1(C=[N]([Ni]2([O]=1)[N](=CC(c1ccccc1)=[O]2)C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt.
• Authors of publication: Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7880 - 7889
• a: 10.2304 ± 0.0003 Å
• b: 11.0782 ± 0.0003 Å
• c: 18.7722 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.54 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No