Information card for entry 7134547

Structure parameters

• Formula: C32 H47 B Cl F6 N4 O2 P Ru
• Calculated formula: C32 H47 B Cl F6 N4 O2 P Ru
• Title of publication: Boron appended Ru-NHC catalyzed selective deoxygenative hydrogenation of tertiary amides and desulfurization of thioamides
• Authors of publication: Sharma, Raju; Kenguva, Gowtham; Dandela, Rambabu; Daw, Prosenjit
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9460 - 9463
• a: 18.2664 ± 0.001 Å
• b: 13.851 ± 0.0007 Å
• c: 14.4079 ± 0.0008 Å
• α: 90°
• β: 90.422 ± 0.002°
• γ: 90°
• Cell volume: 3645.2 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 9
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No