Information card for entry 4068770

Structure parameters

• Formula: C37 H36 Cl2 N5 O P Ru S
• Calculated formula: C37 H36 Cl2 N5 O P Ru S
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S](=O)(C)C)(Cl)[n]3c(n4[n]2c(cc4C)C)cccc3c2[n]1c1c([nH]2)cccc1.[Cl-]
• 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 - 1862
• a: 11.1431 ± 0.0006 Å
• b: 14.5034 ± 0.0008 Å
• c: 22.8917 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3699.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No