Information card for entry 4306280

Structure parameters

• Formula: C78 H102 Cr O6
• Calculated formula: C78 H102 Cr O6
• Title of publication: One- and Two-Electron Reduced 1,2-Diketone Ligands in [CrIII(L.)3] (S= 0) and Na2(Et2O)2[VIV(LRed)3] (S=1/2)
• Authors of publication: Geoffrey H. Spikes; Stephen Sproules; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10935 - 10944
• a: 10.8701 ± 0.0003 Å
• b: 27.523 ± 0.0007 Å
• c: 23.5899 ± 0.0006 Å
• α: 90°
• β: 92.448 ± 0.003°
• γ: 90°
• Cell volume: 7051.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No