Information card for entry 7218377

Structure parameters

• Formula: C44 H38 Cl4 N5 P Ru
• Calculated formula: C44 H38 Cl4 N5 P Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(c(cc3c3[n]1c(ccc3)c1[n]2n(c(c1)c1ccccc1)C)c1ccccc1)C.ClCCl
• Title of publication: Construction of Pincer-Type symmetrical Ruthenium(II) complexes bearing a Pyridyl-2,6-Pyrazolyl Arms: Catalytic Behavior in Transfer Hydrogenation of Ketones
• Authors of publication: Zhu, Zhu; Zhang, Jie; Fu, Haiyan; Yuan, Maolin; Zheng, Xueli; Chen, Hua; li, ruixiang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.2141 ± 0.0003 Å
• b: 11.6147 ± 0.0004 Å
• c: 17.2905 ± 0.0006 Å
• α: 73.605 ± 0.003°
• β: 81.162 ± 0.003°
• γ: 84.055 ± 0.003°
• Cell volume: 1940.54 ± 0.12 ų
• Cell temperature: 142.95 ± 0.1 K
• Ambient diffraction temperature: 142.95 ± 0.1 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: 0.0657
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No