Information card for entry 7123282

Structure parameters

• Formula: C14 H19 Cl Cu N4 O8
• Calculated formula: C14 H19 Cl Cu N4 O8
• Title of publication: Ligand Assisted Electrocatalytic Water Oxidation by a Copper (II) Complex in Neutral Phosphate Buffer
• Authors of publication: Kuilya, Hemrupa; alam, Noohul; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.3558 ± 0.0016 Å
• b: 15.728 ± 0.004 Å
• c: 9.829 ± 0.003 Å
• α: 90°
• β: 101.217 ± 0.007°
• γ: 90°
• Cell volume: 963.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No