Information card for entry 4127072

Structure parameters

• Formula: C19 H22 Co N4 Na O4
• Calculated formula: C19 H22 Co N4 Na O4
• SMILES: CC1(C)C(N2C(C(N3c4ccccc4N4C(=O)C(N(C1=O)[Co]234)(C)C)=O)(C)C)=O.[Na+]
• Title of publication: Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.
• Authors of publication: Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 11.408 ± 0.002 Å
• b: 12.659 ± 0.003 Å
• c: 15.269 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.1 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No