Information card for entry 7218378

Structure parameters

• Formula: C33 H32 Cl2 N5 P Ru
• Calculated formula: C33 H32 Cl2 N5 P Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(cccc3c3[n]2n(c(c3)C)C)c2[n]1n(c(c2)C)C
• 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: 12.4349 ± 0.0004 Å
• b: 14.1604 ± 0.0004 Å
• c: 21.7232 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3825.1 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0532
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No