Information card for entry 7715921

Structure parameters

• Formula: C30 H35 Co4 N5 O12
• Calculated formula: C29.75 H34.09 Co4 N5 O12
• Title of publication: Monitoring Structure and Coordination Chemistry of Co4O4-based Oxygen Evolution Catalysts by Nitrogen-14/-15 and Cobalt-59 NMR Spectroscopy
• Authors of publication: Uhlig, Felix; Stammler, Michael; Meurer, Florian; Shenderovich, Ilya G.; Blahut, Jan; Wisser, Florian M.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 19.6668 ± 0.0002 Å
• b: 13.8232 ± 0.0001 Å
• c: 13.5182 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3675.03 ± 0.05 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0566
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No