Information card for entry 7126071

Structure parameters

• Formula: C46 H40 Cl2 Fe2 N10 O12
• Calculated formula: C46 H40 Cl2 Fe2 N10 O12
• SMILES: [Fe]1234(O[Fe]5678[n]9cccc%10c9c(N5C(=O)C[N]6(Cc5[n]7cccc5)Cc5[n]8cccc5)ccc%10)[n]5cccc6c5c(N1C(=O)C[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1)ccc6.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 15.885 ± 0.008 Å
• b: 13.472 ± 0.006 Å
• c: 23.262 ± 0.01 Å
• α: 90°
• β: 100.741 ± 0.012°
• γ: 90°
• Cell volume: 4891 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.2025
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No