Information card for entry 7125612

Structure parameters

• Formula: C78 H110 N8 Ni
• Calculated formula: C78 H110 N8 Ni
• Title of publication: Unprecedented redox-driven ligand ejection in nickel(II)-diiminosemiquinonate radical complexes.
• Authors of publication: Leconte, N.; Ciccione, J.; Gellon, G.; Philouze, C.; Thomas, F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 1918 - 1920
• a: 13.686 ± 0.003 Å
• b: 23.219 ± 0.005 Å
• c: 23.157 ± 0.005 Å
• α: 90°
• β: 96.26 ± 0.03°
• γ: 90°
• Cell volume: 7315 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No