Information card for entry 7718705

Structure parameters

• Formula: C4 H12 Br2 Cu N3
• Calculated formula: C4 H12 Br2 Cu N3
• 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: 8.702 ± 0.004 Å
• b: 6.252 ± 0.003 Å
• c: 8.543 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 464.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No