Information card for entry 7064187

Structure parameters

• Formula: C26 H33 Cl2 N7 Ni O8
• Calculated formula: C26 H33 Cl2 N7 Ni O8
• Title of publication: Electrocatalytic water oxidation by nickel complexes: The effect of coordination number and ligand backbone structure on catalytic properties
• Authors of publication: Hu, Jinlin; Qi, Zhichao; Zhang, Lianghui; Liang, Xiangming; Lin, Junqi; Ruan, Zhijun; Liu, Shanshan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 16.7337 ± 0.0006 Å
• b: 14.1267 ± 0.0004 Å
• c: 13.8407 ± 0.0005 Å
• α: 90°
• β: 112.985 ± 0.001°
• γ: 90°
• Cell volume: 3012.07 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0751
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No