Information card for entry 7246656

Structure parameters

• Formula: C11 H14 Cu N2 O6
• Calculated formula: C11 H14 Cu N2 O6
• SMILES: [Cu]12(OC(=O)c3[n]2c(ccc3)C(=O)O1)([OH2])[NH]1CCOCC1
• Title of publication: Highly enhanced electrocatalytic OER activity of water-coordinated copper complexes: effect of lattice water and bridging ligand
• Authors of publication: Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 12065 - 12071
• a: 5.085 ± 0.001 Å
• b: 11.293 ± 0.002 Å
• c: 11.036 ± 0.002 Å
• α: 90°
• β: 92.76 ± 0.03°
• γ: 90°
• Cell volume: 633 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No