Information card for entry 7711219

Structure parameters

• Formula: C23 H28 Cl2 Co N8 O15
• Calculated formula: C23 H28 Cl2 Co N8 O15
• SMILES: [O-]Cl(=O)(=O)=O.[Co]12([n]3c(cn(CC(=O)OC)n3)c3[n]2cccc3)([n]2nn(cc2c2[n]1cccc2)CC(=O)OC)(O)O.Cl(=O)(=O)(=O)[O-].C(=O)(C)C
• 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: 16.6231 ± 0.0003 Å
• b: 8.27 ± 0.0002 Å
• c: 24.4235 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3357.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No