Information card for entry 4332323

Structure parameters

• Formula: C68 H92 Co N4
• Calculated formula: C68 H92 Co N4
• Title of publication: Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt ContainingN,N‘-Disubstituted, Bulkyo-Diiminobenzosemiquinonate(1−) π-Radical Ligands
• Authors of publication: Chłopek, Krzysztof; Bothe, Eberhard; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6298 - 6307
• a: 20.357 ± 0.002 Å
• b: 20.357 ± 0.002 Å
• c: 14.742 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6109.2 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No