Information card for entry 7709747

Structure parameters

• Formula: C34 H36 Cl2 F6 N4 O2 P Ru
• Calculated formula: C34 H36 Cl2 F6 N4 O2 P Ru
• SMILES: [Ru]123(Oc4ccc(Cl)cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(Cl)ccc2O1)([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccc(Cl)cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cc(Cl)ccc2O1)([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Facile C-N Bond Cleavage of Primary Aliphatic Amines by (Salen)ruthenium(VI) Nitrido Complexes
• Authors of publication: Pan, Yunling; Cheng, Lin; Yi, PAN; Man, Wai-Lun; Yiu, Shek-Man; Xie, Jianhui; LAU, Kai Chung; Lau, Tai-Chu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.7212 ± 0.0002 Å
• b: 16.1974 ± 0.0002 Å
• c: 24.1947 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6944.78 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No