Information card for entry 1548911

Structure parameters

• Formula: C22 H29 Cl3 N5 O4 Ru
• Calculated formula: C22 H29 Cl3 N5 O4 Ru
• SMILES: [Ru]123(Cl)(Cl)[n]4ccccc4C[N]41CCC[C@@H]4[C@@H]1[N]2(CCC1)Cc1[n]3cccc1.N#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N₄) ligands for hydrocarbon oxidations.
• Authors of publication: Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2803 - 2816
• a: 8.6233 ± 0.001 Å
• b: 12.5838 ± 0.0016 Å
• c: 23.552 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2555.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0188
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No