Information card for entry 1548913

Structure parameters

• Formula: C32 H38 Cl2 N6 O8 Ru
• Calculated formula: C32 H38 Cl2 N6 O8 Ru
• SMILES: [Ru]123([n]4c(ccc5c4c([N]1([C@@H]1CCCC[C@H]1[N]2(c1c2[n]3c(ccc2ccc1)C)C)C)ccc5)C)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].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: 8.1503 ± 0.0006 Å
• b: 16.4241 ± 0.0013 Å
• c: 12.805 ± 0.0011 Å
• α: 90°
• β: 99.016 ± 0.003°
• γ: 90°
• Cell volume: 1692.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No