Information card for entry 4133810

Structure parameters

• Formula: C21 H20 Cl2 Co N6 O
• Calculated formula: C21 H20 Cl2 Co N6 O
• SMILES: [Co]123(Cl)[n]4c(Nc5[n]3c(c3[n]1c(Nc1[n]2cccc1)ccc3)ccc5)cccc4.[Cl-].OC
• Title of publication: Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability.
• Authors of publication: Queyriaux, Nicolas; Sun, Dongyue; Fize, Jennifer; Pecaut, Jacques; Field, Martin J.; Chavarot-Kerlidou, Murielle; Artero, Vincent
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.4314 ± 0.0009 Å
• b: 10.6619 ± 0.0009 Å
• c: 11.7732 ± 0.0012 Å
• α: 86.398 ± 0.008°
• β: 89.55 ± 0.008°
• γ: 83.366 ± 0.008°
• Cell volume: 1049.19 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No