Information card for entry 4314397

Structure parameters

• Formula: C24 H29 F6 N5 O2 P Ru
• Calculated formula: C24 H29 F6 N5 O2 P Ru
• SMILES: [Ru]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([NH3])[N]#CC.[P](F)(F)(F)(F)(F)[F-].N#CC.[Ru]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([NH3])[N]#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Reaction of a (Salen)ruthenium(VI) Nitrido Complex with Thiols. C-H Bond Activation by (Salen)ruthenium(IV) Sulfilamido Species
• Authors of publication: Wai-Lun Man; William W. Y. Lam; Hoi-Ki Kwong; Shie-Ming Peng; Wing-Tak Wong; Tai-Chu Lau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 73 - 81
• a: 10.241 ± 0.0006 Å
• b: 10.284 ± 0.0006 Å
• c: 13.1374 ± 0.0007 Å
• α: 92.783 ± 0.001°
• β: 90.788 ± 0.001°
• γ: 104.858 ± 0.0001°
• Cell volume: 1335.28 ± 0.13 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: 0.0532
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No