Information card for entry 4113222

Structure parameters

• Formula: C33 H37 F6 N5 O2 P Ru
• Calculated formula: C33 H37 F6 N5 O2 P Ru
• SMILES: [Ru]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([NH]1[C@@H](C)[C@@H]1c1ccccc1)[n]1ccn(c1)C.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([NH]1[C@H](C)[C@H]1c1ccccc1)[n]1ccn(c1)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: 10.7773 ± 0.0008 Å
• b: 11.4121 ± 0.0009 Å
• c: 14.2929 ± 0.0011 Å
• α: 107.279 ± 0.002°
• β: 96.02 ± 0.002°
• γ: 98.386 ± 0.002°
• Cell volume: 1640.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No