Information card for entry 1548902

Structure parameters

• Formula: C19 H30 Co F6 N4 O7 S2
• Calculated formula: C19 H30 Co F6 N4 O7 S2
• SMILES: [Co]123([N]4(CC[N]1(CC[N]2(CC4)C)C)Cc1[n]3cc(c(OC)c1C)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: 11.9921 ± 0.0009 Å
• b: 15.4423 ± 0.0014 Å
• c: 15.8756 ± 0.0013 Å
• α: 90°
• β: 108.403 ± 0.002°
• γ: 90°
• Cell volume: 2789.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No