Information card for entry 7711216

Structure parameters

• Formula: C18 H22 Cl2 Co N8 O3
• Calculated formula: C18 H18 Cl2 Co N8 O3
• SMILES: [Co]12(Cl)(Cl)([n]3c(cn(n3)CCO)c3[n]1cccc3)[n]1c(cccc1)c1cn(n[n]21)CCO.O
• Title of publication: Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes
• Authors of publication: Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.172 ± 0.005 Å
• b: 13.16 ± 0.008 Å
• c: 19.751 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2384 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2707
• Weighted residual factors for all reflections included in the refinement: 0.3709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No