Information card for entry 7121163

Structure parameters

• Formula: C16 H18 Br3 Co N4
• Calculated formula: C16 H18 Br3 Co N4
• SMILES: [Co]123(Br)(Br)[n]4ccccc4C(C)=[N]1CC[N]2=C(C)c1cccc[n]31.[Br-]
• Title of publication: Electrocatalytic CO₂ reduction by a cobalt bis(pyridylmonoimine) complex: effect of acid concentration on catalyst activity and stability.
• Authors of publication: Nie, Weixuan; McCrory, Charles C. L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 1579 - 1582
• a: 8.2736 ± 0.0004 Å
• b: 10.7007 ± 0.0005 Å
• c: 11.1674 ± 0.0004 Å
• α: 85.313 ± 0.004°
• β: 71.078 ± 0.004°
• γ: 86.856 ± 0.004°
• Cell volume: 931.71 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No