Information card for entry 7125611

Structure parameters

• Formula: C75 H112 N8 Ni2 O3
• Calculated formula: C75 H112 N8 Ni2 O3
• 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: 32.632 ± 0.007 Å
• b: 8.9933 ± 0.0018 Å
• c: 24.821 ± 0.005 Å
• α: 90°
• β: 94.39 ± 0.03°
• γ: 90°
• Cell volume: 7263 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No