Information card for entry 4065440

Structure parameters

• Formula: C32 H46 F3 O3 P Ru S Si
• Calculated formula: C32 H46 F3 O3 P Ru S Si
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[RuH2]2345([Si]1(c2ccccc2c2ccccc12)OS(=O)(=O)C(F)(F)F)[P](C(C)C)(C(C)C)C(C)C)C)C)C)C
• Title of publication: Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes
• Authors of publication: Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5524
• a: 13.379 ± 0.005 Å
• b: 15.329 ± 0.006 Å
• c: 16.376 ± 0.007 Å
• α: 90°
• β: 94.721 ± 0.005°
• γ: 90°
• Cell volume: 3347 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No