Information card for entry 7718708

Structure parameters

• Formula: C16 H21 Cl2 N5 O8 Zn
• Calculated formula: C16 H21 Cl2 N5 O8 Zn
• 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: 8.321 ± 0.006 Å
• b: 10.361 ± 0.007 Å
• c: 13.426 ± 0.009 Å
• α: 96.255 ± 0.015°
• β: 102.884 ± 0.015°
• γ: 93.675 ± 0.014°
• Cell volume: 1117 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No