Information card for entry 7710789

Structure parameters

• Formula: C31 H28.5 Cu N8 O13.25
• Calculated formula: C31 H28.5 Cu N8 O13.25
• Title of publication: A copper(ii) coordination compound under water-oxidation reaction at neutral conditions: decomposition on the counter electrode
• Authors of publication: Mousazade, Younes; Nandy, Subhajit; Bikas, Rahman; Aleshkevych, Pavlo; Chae, Keun Hwa; Siczek, Milosz; Lis, Tadeusz; Allakhverdiev, Suleyman I.; Najafpour, Mohammad Mahdi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.8 ± 0.004 Å
• b: 21.718 ± 0.007 Å
• c: 24.685 ± 0.007 Å
• α: 90°
• β: 94.9 ± 0.03°
• γ: 90°
• Cell volume: 6837 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No