Information card for entry 1575038

Structure parameters

• Formula: C12 H16 Cu N2 O8
• Calculated formula: C12 H16 Cu N2 O8
• Title of publication: Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water
• Authors of publication: Saha, Rajat; Sharma, Amitosh; Siddiqui, Anjila I.; Benmansour, Samia; Ortega-Castro, Joaquín; Frontera, Antonio; Mondal, Biswajit; Lah, Myoung Soo; Gómez García, Carlos J.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 9501 - 9508
• a: 6.3123 ± 0.0003 Å
• b: 6.8085 ± 0.0003 Å
• c: 9.1809 ± 0.0004 Å
• α: 98.952 ± 0.004°
• β: 105.115 ± 0.004°
• γ: 108.659 ± 0.004°
• Cell volume: 348.36 ± 0.03 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No