Information card for entry 7711821

Structure parameters

• Formula: C17 H27 Cl2 N5 O9 Zn
• Calculated formula: C17 H27 Cl2 N5 O9 Zn
• SMILES: [Zn]1234([OH2])[n]5ccccc5C[NH]3CC[N]2(C)CC[NH]1Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Modulating the electrocatalytic activity of mononuclear nickel complexes toward water oxidation by tertiary amine group
• Authors of publication: Chen, Xiaoli; Liao, Xuehong; Dai, Chang; Zhu, Lihong; Li, Hong; Yang, Xueli; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.739 ± 0.007 Å
• b: 17.836 ± 0.014 Å
• c: 15.852 ± 0.014 Å
• α: 90°
• β: 100.78 ± 0.03°
• γ: 90°
• Cell volume: 2427 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No