Information card for entry 7251311

Structure parameters

• Formula: C13 H15 Cu N3 O6
• Calculated formula: C13 H15 Cu N3 O6
• Title of publication: Water-soluble binuclear aquo Cu(ii) complex with an amide ligand as an electrocatalyst for the OER, HER and CO2RR
• Authors of publication: Khan, Md. Adnan; Shruti, Sonal; Sengupta, Swaraj; Khan, Sahanwaj; Bhardwaj, Prabhakar; Kumar, Pankaj; Naskar, Subhendu
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 54
• Pages of publication: 46425 - 46433
• a: 8.5673 ± 0.0003 Å
• b: 10.4935 ± 0.0004 Å
• c: 16.3022 ± 0.0007 Å
• α: 90°
• β: 97.043 ± 0.003°
• γ: 90°
• Cell volume: 1454.52 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No