Information card for entry 4339818

Structure parameters

• Formula: C30 H39 Co F12 N5 O2 P2
• Calculated formula: C30 H39 Co F12 N5 O2 P2
• SMILES: [Co]12([O]=C(C=[N]1C(C)(C)C)c1ccccc1)([O]=C(C=[N]2C(C)(C)C)c1ccccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 11.2058 ± 0.0002 Å
• b: 14.8769 ± 0.0003 Å
• c: 21.9353 ± 0.0005 Å
• α: 90°
• β: 90.3 ± 0.003°
• γ: 90°
• Cell volume: 3656.73 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No