Information card for entry 7126072

Structure parameters

• Formula: C24 H23 Cl Mn N5 O6
• Calculated formula: C24 H23 Cl Mn N5 O6
• SMILES: [Mn]1234([n]5c6c(N1C(=O)C[N]3(Cc1[n]2cccc1)Cc1[n]4cccc1)cccc6ccc5)OC.Cl(=O)(=O)(=O)[O-]
• 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: 9.033 ± 0.003 Å
• b: 11.082 ± 0.004 Å
• c: 24.474 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No