Information card for entry 7126887

Structure parameters

• Common name: [(Bim2NNN)RuCl(PPh3)2]PF6
• Chemical name: [(Bim2NNN)RuCl(PPh3)2]PF6
• Formula: C55 H43 Cl F6 N5 P3 Ru
• Calculated formula: C55 H43 Cl F6 N5 P3 Ru
• Title of publication: Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.
• Authors of publication: Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 68
• Pages of publication: 9886 - 9889
• a: 9.9974 ± 0.0005 Å
• b: 38.806 ± 0.004 Å
• c: 13.9459 ± 0.0007 Å
• α: 90°
• β: 92.722 ± 0.005°
• γ: 90°
• Cell volume: 5404.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No