Information card for entry 7126073

Structure parameters

• Formula: C24 H20 Cl Cu N5 O6
• Calculated formula: C24 H20 Cl Cu N5 O6
• SMILES: [Cu]1234[n]5cccc6c5c(N1C(=O)C[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1)ccc6.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Highly efficient and selective photocatalytic CO₂ to CO conversion in aqueous solution.
• Authors of publication: Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 27
• Pages of publication: 3851 - 3854
• a: 13.82 ± 0.03 Å
• b: 14.61 ± 0.04 Å
• c: 14.99 ± 0.04 Å
• α: 62.12 ± 0.03°
• β: 76.15 ± 0.04°
• γ: 71.48 ± 0.04°
• Cell volume: 2522 ± 11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No