Information card for entry 7706126

Structure parameters

• Formula: C46 H54 N6 O12 U2
• Calculated formula: C46 H54 N6 O12 U2
• SMILES: [U]1234([O](c5c(cccc5OC)C=[N]1CC(C)(C)C[N]2=Cc1c(c(ccc1)OC)O3)[U]123([O]4c4c(cccc4OC)C=[N]1CC(C)(C)C[N]2=Cc1c(c(ccc1)OC)O3)(=O)=O)(=O)=O.N#CC.N#CC
• Title of publication: Dinuclear uranium(VI) salen coordination compound: an efficient visible-light-active catalyst for selective reduction of CO₂ to methanol.
• Authors of publication: Azam, Mohammad; Kumar, Umesh; Olowoyo, Joshua O.; Al-Resayes, Saud I; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Islam, Mohammad Shahidul; Khan, Mohammad Rizwan; Adil, S. F.; Siddiqui, Mohammad Rafique; Al-Harthi, Fahad Ahmed; Alinzi, Abdul Karim; Wabaidur, Saikh Mohammad; Siddiqui, Masoom Raza; Shaik, Mohammed Rafi; Jain, Suman L.; Farkhondehfal, M. Amin; Hernàndez, Simelys
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17243 - 17251
• a: 8.95682 ± 0.00016 Å
• b: 14.2454 ± 0.0002 Å
• c: 18.8663 ± 0.0003 Å
• α: 82.031 ± 0.0013°
• β: 84.2723 ± 0.0013°
• γ: 89.8078 ± 0.0014°
• Cell volume: 2371.93 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No