Information card for entry 7126886

Structure parameters

• Common name: (tBu2NNN)RuCl2(PPh3)
• Chemical name: (tBu2NNN)RuCl2(PPh3)
• Formula: C35 H42 Cl6 N3 P Ru
• Calculated formula: C35 H42 Cl6 N3 P 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: 16.093 ± 0.004 Å
• b: 20.363 ± 0.005 Å
• c: 23.088 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7566 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2603
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.3385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No