Information card for entry 7718706

Structure parameters

• Formula: C16 H21 Cl2 Cu N5 O8
• Calculated formula: C16 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: 8.135 ± 0.002 Å
• b: 10.258 ± 0.003 Å
• c: 13.835 ± 0.004 Å
• α: 98.26 ± 0.007°
• β: 106.413 ± 0.007°
• γ: 91.759 ± 0.008°
• Cell volume: 1092.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No