Information card for entry 4113221

Structure parameters

• Formula: C31 H38 F6 N4 O2 P Ru
• Calculated formula: C31 H38 F6 N4 O2 P Ru
• SMILES: [Ru]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([n]1ccccc1)[NH]1C(C1(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([n]1ccccc1)[NH]1C(C1(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex
• Authors of publication: Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15336 - 15337
• a: 9.2912 ± 0.0001 Å
• b: 19.79 ± 0.0002 Å
• c: 17.9581 ± 0.0002 Å
• α: 90°
• β: 96.8958 ± 0.0008°
• γ: 90°
• Cell volume: 3278.12 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0595
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No