Information card for entry 7064188

Structure parameters

• Formula: C19 H31 Cl2 N5 Ni O10
• Calculated formula: C19 H31 Cl2 N5 Ni O10
• 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: 17.933 ± 0.003 Å
• b: 8.9773 ± 0.0017 Å
• c: 17.496 ± 0.004 Å
• α: 90°
• β: 112.996 ± 0.006°
• γ: 90°
• Cell volume: 2592.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No