Information card for entry 4345261

Structure parameters

• Formula: C23 H24 Co F3 N2 Na O9 S
• Calculated formula: C23 H24 Co F3 N2 Na O9 S
• SMILES: c12c3cccc1C=[N]1CC[N]4=Cc5cccc6[O]([Na]789%10([O]2[Co]14[O]7c56)OS(=O)(=O)C(F)(F)F)CC[O]8CC[O]9CC[O]3%10
• Title of publication: Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.
• Authors of publication: Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3713 - 3718
• a: 13.1054 ± 0.0008 Å
• b: 12.0239 ± 0.0007 Å
• c: 16.6683 ± 0.001 Å
• α: 90°
• β: 98.8247 ± 0.0007°
• γ: 90°
• Cell volume: 2595.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No