Information card for entry 4306647

Structure parameters

• Formula: C56 H78 O5 Zn
• Calculated formula: C56 H78 O5 Zn
• Title of publication: One- and Two-Electron Reduced 1,2-Diketone Ligands in [ZnII(L.)2(Et2O)], [CoII(L.)2(Et2O)], and Na2(Et2O)4[CoII(LRed)2]
• Authors of publication: Geoffrey H. Spikes; Carsten Milsmann; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11745 - 11754
• a: 17.037 ± 0.002 Å
• b: 14.7796 ± 0.0013 Å
• c: 20.37 ± 0.002 Å
• α: 90°
• β: 98.35 ± 0.002°
• γ: 90°
• Cell volume: 5074.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No