Information card for entry 1551868

Structure parameters

• Formula: C12 H8 Cu N2 O4
• Calculated formula: C12 H8 Cu N2 O4
• SMILES: C1(=O)c2cccc3[n]2[Cu]([n]2ccccc2)(O1)OC3=O
• Title of publication: Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure
• Authors of publication: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 7.8977 ± 0.0016 Å
• b: 13.599 ± 0.003 Å
• c: 10.051 ± 0.002 Å
• α: 90°
• β: 91.65 ± 0.03°
• γ: 90°
• Cell volume: 1079 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No