Information card for entry 4084685

Structure parameters

• Formula: C18 H24 Cl5 F6 N O8 S2 W
• Calculated formula: C18 H24 Cl5 F6 N O8 S2 W
• SMILES: [W]1(=CC(C)(C)C)([O](C)CC[O]1C)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)=Nc1c(cc(cc1Cl)Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of Tungsten Imido Alkylidene Complexes that Contain an Electron-Withdrawing Imido Ligand.
• Authors of publication: Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5342 - 5348
• a: 9.7487 ± 0.0007 Å
• b: 20.1371 ± 0.0014 Å
• c: 15.5354 ± 0.0011 Å
• α: 90°
• β: 92.521 ± 0.001°
• γ: 90°
• Cell volume: 3046.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0164
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No