Information card for entry 7126074

Structure parameters

• Formula: C23 H20 Cl N5 Ni O6
• Calculated formula: C23 H20 Cl N5 Ni O6
• 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: 12.15 ± 0.006 Å
• b: 13.633 ± 0.007 Å
• c: 14.455 ± 0.007 Å
• α: 90°
• β: 107.636 ± 0.008°
• γ: 90°
• Cell volume: 2282 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.3124
• 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: No
• Has Fobs: No