Information card for entry 1548901

Structure parameters

• Formula: C18 H29 Co F6 N5 O6 S2
• Calculated formula: C18 H29 Co F6 N5 O6 S2
• SMILES: [Co]123([n]4ccc(N(C)C)cc4C[N]41CC[N]2(C)CC[N]3(C)CC4)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Understanding light-driven H₂ evolution through the electronic tuning of aminopyridine cobalt complexes.
• Authors of publication: Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 2609 - 2619
• a: 8.802 ± 0.002 Å
• b: 24.936 ± 0.006 Å
• c: 12.694 ± 0.003 Å
• α: 90°
• β: 94.038 ± 0.005°
• γ: 90°
• Cell volume: 2779.2 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No