Information card for entry 4087919

Structure parameters

• Formula: C55 H49 N5 P2 Ru
• Calculated formula: C55 H49 N5 P2 Ru
• SMILES: [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)n3c(nc4c3cc(c(c4)C)C)c3[n]1c(n1[n]2c(cc1C)C)ccc3
• Title of publication: Substituent Effect on the Catalytic Activity of Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones
• Authors of publication: Chai, Huining; Liu, Tingting; Wang, Qingfu; Yu, Zhengkun
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5278
• a: 12.0044 ± 0.0002 Å
• b: 20.9968 ± 0.0004 Å
• c: 38.3562 ± 0.0007 Å
• α: 90°
• β: 93.899 ± 0.001°
• γ: 90°
• Cell volume: 9645.5 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No