Information card for entry 7063604

Structure parameters

• Formula: C8 H20 Cl2 Cu N5 O8
• Calculated formula: C8 H20 Cl2 Cu N5 O8
• Title of publication: Impact of coordinated nitrogen atoms on the electrocatalytic water oxidation properties of copper complexes with pentadentate ligands
• Authors of publication: Qi, Zhichao; Hu, Jinlin; Ruan, Zhijun; Chen, Yanmei; Qu, Yanbo; Liang, Xiangming; Lin, Junqi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1451 - 1458
• a: 8.3439 ± 0.0014 Å
• b: 15.187 ± 0.003 Å
• c: 14.026 ± 0.003 Å
• α: 90°
• β: 98.286 ± 0.004°
• γ: 90°
• Cell volume: 1758.8 ± 0.6 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No