Information card for entry 4087920

Structure parameters

• Formula: C138 H122 Cl16 N14 O8 P4 Ru2 S4
• Calculated formula: C138 H122 Cl16 N14 O8 P4 Ru2 S4
• 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: 17.2774 ± 0.0007 Å
• b: 18.1856 ± 0.0007 Å
• c: 24.7095 ± 0.0011 Å
• α: 90°
• β: 100.081 ± 0.001°
• γ: 90°
• Cell volume: 7643.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No