Information card for entry 4330552

Structure parameters

• Formula: C30 H40 Co N2 O4
• Calculated formula: C30 H40 Co N2 O4
• SMILES: [Co]123Oc4c(cc(cc4C=[N]3[C@@H]3CCCC[C@H]3[N]2=Cc2cc(cc(c2O1)C(C)(C)C)OC)OC)C(C)(C)C
• Title of publication: Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes
• Authors of publication: Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10557 - 10571
• a: 8.949 ± 0.001 Å
• b: 11.835 ± 0.002 Å
• c: 13.649 ± 0.002 Å
• α: 77.16 ± 0.01°
• β: 72.86 ± 0.01°
• γ: 85.7 ± 0.02°
• Cell volume: 1346.8 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1154
• 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: No
• Has Fobs: No