Information card for entry 7718710

Structure parameters

• Formula: C22 H21 Cl2 Cu N5 O8
• Calculated formula: C22 H21 Cl2 Cu N5 O8
• Title of publication: Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.
• Authors of publication: Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9418 - 9426
• a: 11.7537 ± 0.0016 Å
• b: 9.5153 ± 0.0013 Å
• c: 23.375 ± 0.003 Å
• α: 90°
• β: 100.793 ± 0.006°
• γ: 90°
• Cell volume: 2568 ± 0.6 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: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No