Information card for entry 4068771

Structure parameters

• Formula: C37 H36 Cl4 N5 O P Ru S
• Calculated formula: C37 H36 Cl4 N5 O P Ru S
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S](=O)(C)C)(Cl)[n]3c(n4[n]2ccc4)cccc3c2[n]1c1c(n2C)cccc1.[Cl-].ClCCl
• Title of publication: Construction of Highly Active Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones
• Authors of publication: Zeng, Fanlong; Yu, Zhengkun
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1855
• a: 10.3359 ± 0.001 Å
• b: 10.9327 ± 0.0011 Å
• c: 18.5189 ± 0.0019 Å
• α: 74.2 ± 0.002°
• β: 74.175 ± 0.002°
• γ: 85.627 ± 0.002°
• Cell volume: 1937.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No