Information card for entry 1548900

Structure parameters

• Formula: C16 H24 Co F6 N4 O6 S2
• Calculated formula: C16 H24 Co F6 N4 O6 S2
• SMILES: [Co]123([N]4(Cc5[n]1cccc5)CC[N]3(CC[N]2(CC4)C)C)(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: 9.312 ± 0.002 Å
• b: 16.956 ± 0.004 Å
• c: 29.498 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4657.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No