Information card for entry 1548899

Structure parameters

• Formula: C21 H29 Co F6 N7 O6 S2
• Calculated formula: C21 H29 Co F6 N7 O6 S2
• SMILES: [Co]123([n]4ccc(cc4C[N]41CC[N]2(C)CC[N]3(C)CC4)C#N)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 14.2091 ± 0.0005 Å
• b: 13.4658 ± 0.0004 Å
• c: 15.184 ± 0.0005 Å
• α: 90°
• β: 93.295 ± 0.0008°
• γ: 90°
• Cell volume: 2900.46 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No