Information card for entry 4112132

Structure parameters

• Formula: C28 H38 F6 N5 O2 P Ru
• Calculated formula: C28 H38 F6 N5 O2 P Ru
• SMILES: [Ru]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([NH]1CCCC1)NN1CCCC1.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([NH]1CCCC1)NN1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes
• Authors of publication: Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 478 - 479
• a: 11.3517 ± 0.0001 Å
• b: 27.5955 ± 0.0003 Å
• c: 9.843 ± 0.0001 Å
• α: 90°
• β: 90.7092 ± 0.0005°
• γ: 90°
• Cell volume: 3083.14 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No