Information card for entry 1565624

Structure parameters

• Formula: C44 H50 Cl2 N2 O4 Ru
• Calculated formula: C44 H50 Cl2 N2 O4 Ru
• SMILES: [Ru]12([N](=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)c1ccc(Cl)cc1)([N](=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(Cl)cc1)(C#[O])C#[O]
• Title of publication: Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands
• Authors of publication: Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119224
• a: 11.874 ± 0.0011 Å
• b: 12.4289 ± 0.0011 Å
• c: 16.5981 ± 0.0015 Å
• α: 79.196 ± 0.002°
• β: 70.252 ± 0.001°
• γ: 71.013 ± 0.001°
• Cell volume: 2171.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No