Information card for entry 4306650

Structure parameters

• Formula: C68 H108 Co Na2 O8
• Calculated formula: C68 H108 Co Na2 O8
• SMILES: [Co]12([O]3C(=C(c4c(cccc4C(C)C)C(C)C)[O]1[Na]1([O](CC)CC)[O](CC)CC)c4c(cccc4C(C)C)C(C)C)[O]1C(=C(c1c(cccc1C(C)C)C(C)C)[O]2[Na]3([O](CC)CC)[O](CC)CC)c1c(cccc1C(C)C)C(C)C
• 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: 10.983 ± 0.0007 Å
• b: 13.513 ± 0.0009 Å
• c: 14.0769 ± 0.0009 Å
• α: 66.691 ± 0.003°
• β: 69.881 ± 0.003°
• γ: 67.117 ± 0.003°
• Cell volume: 1722.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No