Information card for entry 4120693

Structure parameters

• Formula: C10 H8 Cu N2 O3
• Calculated formula: C10 H8 Cu N2 O3
• Title of publication: A biomimetic copper water oxidation catalyst with low overpotential.
• Authors of publication: Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 273 - 281
• a: 4.3886 ± 0.0001 Å
• b: 13.3722 ± 0.0003 Å
• c: 15.5729 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 913.9 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No