Information card for entry 7059246

Structure parameters

• Formula: C81 H54 Co N9 O3
• Calculated formula: C81 H54 Co N9 O3
• Title of publication: Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction
• Authors of publication: Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 3737 - 3747
• a: 20.9681 ± 0.0018 Å
• b: 24.686 ± 0.002 Å
• c: 24.862 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12869 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1753
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No