Information card for entry 7717073

Structure parameters

• Formula: C15 H17 Cl Cu N4 O6
• Calculated formula: C15 H17 Cl Cu N4 O6
• Title of publication: Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation.
• Authors of publication: Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 43
• Pages of publication: 17547 - 17553
• a: 6.9279 ± 0.0006 Å
• b: 12.589 ± 0.0011 Å
• c: 20.273 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768.1 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No